3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3745 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011140 > R > 13618 > - > - > - > - $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 5.5445 -3.5625 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011145 > A > 675172 > - > - > - > - $$$$ 9 2 0 0 0 0 0 0 0 0 1 V2000 4.4542 -5.0542 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.4625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -5.4667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -4.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -4.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -6.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -6.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -6.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD04039935 > A > 574945 > - > - > - > - $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 0.0548 -0.7248 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 0.7749 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 -0.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -0.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 -2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 -2.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -2.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -2.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 2.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 2.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 2.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4849 0.0249 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 0.0249 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 0.0249 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00013313 > A > 328219 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 4.9273 -5.1853 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 -5.7314 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 -5.7226 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011141 > A > 217891 > - > - > - > - $$$$ 14 9 0 0 0 0 0 0 0 0 1 V2000 -3.0000 0.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2855 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 0.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2855 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.9375 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 1.1250 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 0.7583 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 0.7458 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 4.8081 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8289 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 2 4 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 3 1 -1 3 -1 5 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00150262 > A > 544183 > - > - > - > - $$$$ 29 28 0 0 0 0 0 0 0 0 1 V2000 1.2996 0.1817 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5672 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 0.1817 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8997 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -1.3639 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -1.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00049260 > A > 332062 > - > - > - > - $$$$ 89100 0 0 0 0 0 0 0 0 1 V2000 -6.8249 -0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -0.0451 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 0.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0751 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 1.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 2.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 2.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 3.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -2.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 -2.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4548 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8848 -0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0349 -0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4448 -0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9848 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8948 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.4448 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -0.1049 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -1.4449 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 1.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 1.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9549 -0.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 0.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -1.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -3.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 -1.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 3.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 3.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 4.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 5.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 4.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 3.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -3.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -3.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -4.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -5.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 -4.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 -3.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 -2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 72 1 0 0 0 0 28 78 1 0 0 0 0 29 54 1 0 0 0 0 30 66 1 0 0 0 0 31 84 1 0 0 0 0 32 60 1 0 0 0 0 33 36 1 0 0 0 0 34 48 1 0 0 0 0 35 42 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 42 43 2 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 48 49 1 0 0 0 0 48 53 2 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 54 59 2 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 60 61 2 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 66 67 1 0 0 0 0 66 71 2 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 72 73 1 0 0 0 0 72 77 2 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 78 79 2 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 84 85 2 0 0 0 0 84 89 1 0 0 0 0 85 86 1 0 0 0 0 86 87 2 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00010007 > A > 288063 > - > - > - > - $$$$ 2 0 0 0 0 0 0 0 0 0 1 V2000 4.1070 -1.6255 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 5.9680 -3.5161 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00167392 > A > 221651 > F > 72240 > - > - $$$$ 41 46 0 0 0 0 0 0 0 0 1 V2000 -0.7674 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 0.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0704 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8597 -0.9357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 -2.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -1.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -1.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.9013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7194 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 0.8854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 1.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 2.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 3.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 -2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.0183 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 1 6 2 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 8 2 0 11 13 2 0 7 8 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 1 0 17 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 20 1 0 19 20 2 0 13 14 1 0 6 23 1 0 25 21 1 0 26 25 1 0 27 22 1 0 28 27 1 0 2 29 1 0 3 30 1 0 30 31 1 0 29 32 1 0 16 33 1 0 15 34 1 0 10 35 1 0 9 36 1 0 33 37 1 0 35 38 1 0 36 39 1 0 34 40 1 0 18 41 1 0 5 41 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00010242 > A > 269948 > - > - > - > - $$$$ 32 34 0 0 0 0 0 0 0 0 1 V2000 0.0157 0.8064 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 -0.8322 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 2.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -1.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 2.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 2.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -0.0271 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 -0.6030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 0.4027 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 1 3 1 0 2 4 1 0 2 5 1 0 1 6 1 0 7 9 1 0 7 8 1 0 1 9 1 0 6 10 1 0 6 11 2 0 3 12 1 0 3 13 2 0 4 14 1 0 4 15 2 0 5 16 1 0 5 17 2 0 11 18 1 0 14 19 2 0 15 20 1 0 12 21 2 0 13 22 1 0 16 23 2 0 17 24 1 0 10 25 2 0 18 26 2 0 24 27 2 0 22 28 2 0 20 29 2 0 25 26 1 0 21 28 1 0 23 27 1 0 19 29 1 0 30 31 1 0 30 32 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00015318 > A > 335363 > F > 14819 > - > - $$$$ 29 28 0 0 0 0 0 0 0 0 1 V2000 1.2996 0.1817 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5672 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 0.1817 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8997 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -1.3639 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -1.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 -1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 0.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00074946 > A > 331694 > - > - > - > - $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.6500 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 2 0 0 0 3 4 2 0 0 0 4 5 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00217044 > A > 343226 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.2055 -0.3560 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 0.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011142 > A > 339350 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.6689 -0.6899 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 0.0599 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -0.6899 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00016260 > A > 372641 > - > - > - > - $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 2.9250 -5.9917 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -6.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 -6.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 -6.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 -5.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 -5.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1242 -5.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -6.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -5.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 -5.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 -5.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 -5.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 2 6 1 0 0 0 0 9 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 10 14 1 0 0 0 0 17 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00058902 > A > 244988 > - > - > - > - $$$$ 81 90 0 0 0 0 0 0 0 0 1 V2000 6.0424 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 -5.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 -7.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1784 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3701 -3.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3534 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -5.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 -6.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 -5.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -5.1386 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8597 -4.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -6.2989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 -5.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -6.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 -5.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6326 -5.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 -5.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 -4.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -3.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 -2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 -2.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -3.4309 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9526 -2.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 -2.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -3.4207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -1.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0039 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6334 -1.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4086 -7.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -6.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7736 -6.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 -6.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -7.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 -7.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 -4.2625 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 -8.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2705 -8.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 -5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0193 -7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5837 -7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4504 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3205 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6068 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8890 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1712 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2580 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5443 -5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 -5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7955 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6462 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31 27 1 0 0 0 0 26 27 2 0 0 0 0 20 21 1 0 0 0 0 13 30 1 0 0 0 0 28 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 29 1 0 0 0 0 22 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 23 1 0 0 0 0 16 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 17 1 0 0 0 0 9 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 10 1 0 0 0 0 12 48 1 0 0 0 0 25 48 1 0 0 0 0 44 3 1 0 0 0 0 35 2 1 0 0 0 0 32 49 1 0 0 0 0 39 5 1 0 0 0 0 36 6 1 0 0 0 0 43 7 1 0 0 0 0 40 1 1 0 0 0 0 47 4 1 0 0 0 0 49 81 1 0 0 0 0 2 57 1 0 0 0 0 5 69 1 0 0 0 0 1 53 1 0 0 0 0 6 73 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 3 61 1 0 0 0 0 7 77 1 0 0 0 0 4 65 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 12 8 1 0 0 0 0 8 13 2 0 0 0 0 11 14 2 0 0 0 0 15 16 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 18 20 2 0 0 0 0 14 15 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 24 26 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 G 77 7 C4H9 G 53 1 C4H9 G 65 4 C4H9 G 61 3 C4H9 G 69 5 C4H9 G 57 2 C4H9 G 73 6 C4H9 G 81 49 C4H9 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SAL 1 4 74 75 76 77 M SBL 1 1 44 M SMT 1 C4H9 M SBV 1 44 -0.7500 0.2300 M SAL 2 4 50 51 52 53 M SBL 2 1 38 M SMT 2 C4H9 M SBV 2 38 -0.2200 0.7900 M SAL 3 4 62 63 64 65 M SBL 3 1 45 M SMT 3 C4H9 M SBV 3 45 -0.7800 -0.2500 M SAL 4 4 58 59 60 61 M SBL 4 1 43 M SMT 4 C4H9 M SBV 4 43 0.6600 0.2800 M SAL 5 4 66 67 68 69 M SBL 5 1 37 M SMT 5 C4H9 M SBV 5 37 -0.2800 -0.7500 M SAL 6 4 54 55 56 57 M SBL 6 1 36 M SMT 6 C4H9 M SBV 6 36 0.9000 -0.1100 M SAL 7 4 70 71 72 73 M SBL 7 1 39 M SMT 7 C4H9 M SBV 7 39 -0.8100 -0.3100 M SAL 8 4 78 79 80 81 M SBL 8 1 35 M SMT 8 C4H9 M SBV 8 35 -0.8400 0.1200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00192346 > A > 408883 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.0350 0.2699 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 2.5199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 1.5689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 -1.9799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2149 1.5689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.3310 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -0.7910 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 3 0 0 0 0 3 8 3 0 0 0 0 4 6 3 0 0 0 0 5 7 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00049669 > A > 545031 > - > - > - > - $$$$ 53 54 0 0 0 0 0 0 0 0 1 V2000 10.8167 -5.0875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -3.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -4.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.4917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9542 -3.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2250 -8.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -6.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -7.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1083 -9.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4583 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -6.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -8.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.3375 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 6.2208 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -10.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 4 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 11 2 0 0 0 0 16 12 2 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 8 1 0 0 0 0 20 7 1 0 0 0 0 21 1 2 0 0 0 0 22 1 2 0 0 0 0 23 2 2 0 0 0 0 24 2 2 0 0 0 0 25 2 2 0 0 0 0 26 1 2 0 0 0 0 27 38 1 0 0 0 0 28 35 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 13 2 0 0 0 0 32 14 2 0 0 0 0 33 10 1 0 0 0 0 34 9 1 0 0 0 0 35 39 2 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 40 2 0 0 0 0 39 34 1 0 0 0 0 40 33 1 0 0 0 0 41 33 2 0 0 0 0 42 34 2 0 0 0 0 43 5 1 0 0 0 0 44 6 1 0 0 0 0 46 53 1 0 0 0 0 47 52 1 0 0 0 0 48 30 1 0 0 0 0 49 30 1 0 0 0 0 50 29 1 0 0 0 0 51 29 1 0 0 0 0 52 44 2 0 0 0 0 53 43 2 0 0 0 0 13 7 1 0 0 0 0 20 46 2 0 0 0 0 27 36 2 0 0 0 0 14 8 1 0 0 0 0 19 47 2 0 0 0 0 28 37 2 0 0 0 0 M CHG 3 17 -1 18 -1 45 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD03093883 > 1 > 523240 > - > - > - > - $$$$ 49 58 0 0 0 0 0 0 0 0 1 V2000 4.4089 -5.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -4.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 -4.7659 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6809 -5.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 -3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 -3.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -2.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 -1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -2.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -2.9789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 -2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -2.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 -3.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 -2.9878 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6410 -3.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 -4.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 -5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 -5.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -5.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -4.7749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5318 -3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 -3.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 -6.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -3.8602 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -4.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 -4.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -3.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 -3.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9506 -3.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 -0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 0.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 -3.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -3.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -4.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -7.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9702 -8.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7101 -8.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 -8.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -7.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 20 1 0 0 0 0 19 20 2 0 0 0 0 13 14 1 0 0 0 0 6 23 1 0 0 0 0 7 25 1 0 0 0 0 13 26 1 0 0 0 0 19 27 1 0 0 0 0 6 28 1 0 0 0 0 29 18 1 0 0 0 0 29 5 1 0 0 0 0 25 30 2 0 0 0 0 1 2 1 0 0 0 0 30 31 1 0 0 0 0 2 3 2 0 0 0 0 31 32 2 0 0 0 0 3 4 1 0 0 0 0 32 33 1 0 0 0 0 4 5 1 0 0 0 0 33 34 2 0 0 0 0 34 25 1 0 0 0 0 5 1 1 0 0 0 0 26 35 2 0 0 0 0 1 6 2 0 0 0 0 35 36 1 0 0 0 0 4 7 2 0 0 0 0 36 37 2 0 0 0 0 8 9 1 0 0 0 0 37 38 1 0 0 0 0 9 10 2 0 0 0 0 38 39 2 0 0 0 0 39 26 1 0 0 0 0 10 11 1 0 0 0 0 27 40 2 0 0 0 0 11 12 1 0 0 0 0 40 41 1 0 0 0 0 12 8 2 0 0 0 0 41 42 2 0 0 0 0 11 13 2 0 0 0 0 42 43 1 0 0 0 0 7 8 1 0 0 0 0 43 44 2 0 0 0 0 44 27 1 0 0 0 0 14 15 2 0 0 0 0 28 45 2 0 0 0 0 15 16 1 0 0 0 0 45 46 1 0 0 0 0 16 17 2 0 0 0 0 46 47 2 0 0 0 0 17 18 1 0 0 0 0 47 48 1 0 0 0 0 18 14 1 0 0 0 0 48 49 2 0 0 0 0 49 28 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00010727 > A > 252204 > - > - > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 4.5494 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 -1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8949 -2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4949 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4098 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 -4.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 -4.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 -4.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 -4.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9504 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4099 -4.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1736 -3.2896 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 6 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 12 7 1 0 0 0 0 2 4 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 7 2 8 2 9 2 M RAD 2 10 2 11 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD01863654 > A > 510475 > - > - > - > - $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 -0.9457 2.1159 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.0448 2.4046 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.4617 1.7599 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.9061 2.1615 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.3633 1.7642 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.7571 2.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 0.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 -2.1246 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.0585 -2.4046 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.4644 -1.7665 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.9076 -2.1637 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.3605 -1.7729 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.7152 -2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 -0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 -2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 0.1647 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 3 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 2 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 13 18 1 0 0 0 11 19 1 0 0 0 12 20 1 0 0 0 M RAD 1 1 2 M RAD 1 2 2 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 11 2 M RAD 1 12 2 M RAD 1 13 2 M RAD 1 14 2 M RAD 1 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00058704 > A > 493600 > - > - > - > - $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 -1.6082 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -0.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -0.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 -0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 0.8540 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 0.4415 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 0.8540 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 ^OCH3 M SBV 1 5 -7.9331 3.9907 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 8 9 M SBL 2 1 7 M SMT 2 OCH3 M SBV 2 7 -6.8626 3.7852 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00274339 > A > 459674 > - > - > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.0473 -0.7718 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 0.7423 -1.3552 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -1.3552 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 7 5 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00013480 > A > 406341 > - > - > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 5.9542 -6.0250 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 7 1 0 0 0 0 M RAD 8 2 2 3 2 4 2 5 2 6 2 7 2 8 2 9 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD02683527 > A > 524271 > - > - > - > - $$$$ 21 25 0 0 0 0 0 0 0 0 1 V2000 -2.1702 1.1336 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 0.3778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 2.6452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 1.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 0.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7616 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7616 2.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 -3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 4.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 1.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 3.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00012041 > A > 268658 > - > - > - > - $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -1.4381 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 -0.5359 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00171392 > A > 367192 > - > - > - > - $$$$ 4 2 0 0 0 0 0 0 0 0 1 V2000 0.0016 1.5783 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 0.8306 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 0.8306 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -1.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00149808 > A > 364304 > - > - > - > - $$$$ 40 42 0 0 0 0 0 0 0 0 1 V2000 5.8000 -4.0042 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8917 -8.5542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 -6.4250 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -6.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -6.8375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.3042 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -9.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8458 -10.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -10.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -8.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -8.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 13 5 2 0 0 0 0 14 4 2 0 0 0 0 15 4 1 0 0 0 0 16 7 2 0 0 0 0 17 7 1 0 0 0 0 18 6 2 0 0 0 0 19 6 1 0 0 0 0 20 5 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 14 1 0 0 0 0 24 15 2 0 0 0 0 25 18 1 0 0 0 0 26 19 2 0 0 0 0 27 20 2 0 0 0 0 28 13 1 0 0 0 0 29 9 1 0 0 0 0 30 9 1 0 0 0 0 31 8 1 0 0 0 0 32 8 1 0 0 0 0 33 26 1 0 0 0 0 34 24 1 0 0 0 0 35 22 1 0 0 0 0 36 27 1 0 0 0 0 37 32 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 38 39 1 0 0 0 0 36 28 2 0 0 0 0 34 23 2 0 0 0 0 37 40 1 0 0 0 0 35 21 2 0 0 0 0 33 25 2 0 0 0 0 M RAD 8 8 2 9 2 29 2 30 2 31 2 32 2 37 2 38 2 M RAD 2 39 2 40 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00270284 > A > 470554 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 NiI2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00016264 > A > 400777 > - > - > - > - $$$$ 28 26 0 0 0 0 0 0 0 0 1 V2000 -0.9485 -1.3060 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 -1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -0.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -1.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 1.1864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 2.0114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 1.1864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 1.1864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 2.0114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 1.1864 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5867 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9991 -0.5826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3011 -1.7094 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -2.0114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 -2.0114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 -1.7094 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -0.5826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 -1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 12 3 1 0 0 0 3 4 2 0 0 0 5 2 2 0 0 0 24 5 1 0 0 0 5 6 1 0 0 0 8 7 1 0 0 0 16 8 1 0 0 0 8 9 2 0 0 0 10 7 2 0 0 0 20 10 1 0 0 0 10 11 1 0 0 0 1 6 1 0 0 0 1 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00150916 > A > 339709 > - > - > - > - $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3745 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -0.3744 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3744 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00016263 > A > 342211 > - > - > - > - $$$$ 1 0 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011137 > A > 208779 > F > 02588 > - > - $$$$ 41 46 0 0 0 0 0 0 0 0 1 V2000 1.2942 0.6747 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1.4263 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 0.6782 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 2.7573 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 2.2879 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 -1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 2 0 0 0 0 13 22 1 0 0 0 0 14 23 2 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 28 2 0 0 0 0 17 29 1 0 0 0 0 18 30 2 0 0 0 0 19 30 1 0 0 0 0 20 31 2 0 0 0 0 21 31 1 0 0 0 0 22 32 2 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 2 0 0 0 0 26 35 1 0 0 0 0 27 36 2 0 0 0 0 28 37 1 0 0 0 0 29 38 2 0 0 0 0 33 39 2 0 0 0 0 34 39 1 0 0 0 0 35 40 2 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 38 41 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00015865 > A > 331708 > - > - > - > - $$$$ 26 27 0 0 0 0 0 0 0 0 1 V2000 4.9875 -6.0792 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.1625 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -5.0250 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 7 2 0 0 0 0 17 10 1 0 0 0 0 18 11 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 15 2 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 16 21 1 0 0 0 0 13 19 2 0 0 0 0 17 20 2 0 0 0 0 25 24 1 0 0 0 0 M RAD 5 22 2 23 2 24 2 25 2 26 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD02093655 > A > 512516 > - > - > - > - $$$$ 28 29 0 0 0 0 0 0 0 0 1 V2000 4.9875 -6.0792 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.1625 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -5.0250 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 4 2 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 17 9 2 0 0 0 0 18 12 1 0 0 0 0 19 7 2 0 0 0 0 20 10 1 0 0 0 0 21 11 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 18 2 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 19 24 1 0 0 0 0 16 22 2 0 0 0 0 20 23 2 0 0 0 0 28 27 1 0 0 0 0 M RAD 5 13 2 25 2 26 2 27 2 28 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD02093654 > A > 512508 > - > - > - > - $$$$ 41 38 0 0 0 0 0 0 0 0 1 V2000 -10.1609 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8619 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5629 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 0.4199 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6659 2.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4599 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7589 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7589 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4599 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1609 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8619 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5629 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2659 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 0.4899 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6680 2.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7609 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7609 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2659 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 0.4499 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00054344 > A > 544191 > - > - > - > - $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 5.5167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.1042 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 1 1 0 0 0 0 16 8 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 10 7 1 0 0 0 0 9 5 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD01862460 > A > 562408 > - > - > - > - $$$$ 11 8 0 0 0 0 0 0 0 0 1 V2000 0.5500 -2.2542 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.3792 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 -1.4042 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.6792 -2.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -2.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD03412128 > A > 567671 > - > - > - > - $$$$ 31 20 0 0 0 0 0 0 0 0 1 V2000 8.6708 -5.7125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.1250 -6.0500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.0833 -6.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0875 -5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -5.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -5.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -6.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1500 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 2.9875 -6.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -6.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -7.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -7.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -4.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -7.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -7.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -4.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -7.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -7.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -7.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -7.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -7.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -4.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -7.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 17 1 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 18 1 0 0 0 0 27 16 1 0 0 0 0 28 19 1 0 0 0 0 29 14 1 0 0 0 0 30 18 1 0 0 0 0 31 14 1 0 0 0 0 M CHG 3 3 -1 4 -1 11 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00150260 > A > 574988 > F > 09885 > S > A1827 $$$$ 11 7 0 0 0 0 0 0 0 0 1 V2000 4.8708 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -1.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5875 -1.2792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6583 3.5000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.8417 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8792 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.5292 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 M CHG 3 2 -1 3 -1 11 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00016262 > F > 72248 > - > - > - > - $$$$ 61 66 0 0 0 0 0 0 0 0 1 V2000 0.0542 -6.8667 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.0750 -6.9250 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.0208 -14.5458 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.8542 -12.3625 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.7166 -10.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0926 -11.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5093 -11.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 -11.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 -10.4448 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0970 -9.5865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0307 -11.6163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -11.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -11.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -11.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2957 -10.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 -10.4669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 -9.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -8.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 -8.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -7.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -7.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1089 -8.7269 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9870 -7.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -7.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4793 -7.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 -8.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -8.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8959 -8.7187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2946 -6.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4976 -6.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1283 -7.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -11.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -12.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 -12.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -12.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7217 -12.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 -12.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 -12.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8881 -11.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8596 -7.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4895 -6.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 -6.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -9.5659 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 9.9164 -12.2859 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2238 -13.5535 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0857 -6.7988 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0857 -7.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 -5.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9164 -11.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9164 -13.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -13.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -13.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0107 -12.3009 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2107 -14.4222 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1481 -6.8046 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9425 -6.8709 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.9425 -7.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9425 -6.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1051 -6.8683 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 5 10 2 0 0 0 0 8 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 12 2 0 0 0 0 15 17 2 0 0 0 0 11 12 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 24 1 0 0 0 0 23 24 2 0 0 0 0 17 18 1 0 0 0 0 10 27 1 0 0 0 0 20 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 19 1 0 0 0 0 14 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 13 1 0 0 0 0 7 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 6 1 0 0 0 0 26 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 25 1 0 0 0 0 9 45 1 0 0 0 0 22 45 1 0 0 0 0 48 49 2 0 0 0 0 48 50 2 0 0 0 0 46 51 2 0 0 0 0 46 52 2 0 0 0 0 47 53 2 0 0 0 0 47 54 2 0 0 0 0 46 39 1 0 0 0 0 48 31 1 0 0 0 0 47 35 1 0 0 0 0 46 55 1 0 0 0 0 47 56 1 0 0 0 0 48 57 1 0 0 0 0 5 6 1 0 0 0 0 58 59 2 0 0 0 0 58 60 2 0 0 0 0 58 61 1 0 0 0 0 6 7 2 0 0 0 0 42 58 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 55 -1 56 -1 57 -1 61 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00012146 > A > 274909 > F > 72267 > - > - $$$$ 41 44 0 0 0 0 0 0 0 0 1 V2000 4.8902 -2.9375 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.8902 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 -1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -4.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -2.9375 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.5875 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1053 -2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0679 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0679 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1053 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0465 -4.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0465 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.1937 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -1.6695 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -1.6695 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19 14 1 0 0 0 0 18 1 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 2 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 3 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 21 1 0 0 0 0 22 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 22 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 37 20 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00009592 > A > 237116 > F > 15245 > - > - $$$$ 9 6 0 0 0 0 0 0 0 0 1 V2000 -1.7780 -0.0000 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 -0.6055 0.6769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 0.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -1.3491 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 1.3491 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 -0.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 -0.6746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 1.2833 0.0000 K 0 5 0 0 0 0 0 0 0 0 0 0 2.9463 -0.7615 0.0000 K 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00083064 > A > 390011 > R > 01329 > - > - $$$$ 43 48 0 0 0 0 0 0 0 0 1 V2000 1.9581 0.8726 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 1.6244 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 1.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 0.0732 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 2.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 0.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 1.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 2.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 1.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 2.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 -1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1556 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2828 -0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0964 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -2.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1556 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 2.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2828 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0964 -2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 -2.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 3 0 0 0 0 8 19 3 0 0 0 0 9 20 1 0 0 0 0 10 21 2 0 0 0 0 11 22 1 0 0 0 0 12 23 2 0 0 0 0 13 24 1 0 0 0 0 14 25 2 0 0 0 0 15 26 2 0 0 0 0 15 27 1 0 0 0 0 16 28 2 0 0 0 0 16 29 1 0 0 0 0 17 30 2 0 0 0 0 17 31 1 0 0 0 0 20 32 2 0 0 0 0 21 32 1 0 0 0 0 22 33 2 0 0 0 0 23 33 1 0 0 0 0 24 34 2 0 0 0 0 25 34 1 0 0 0 0 26 35 1 0 0 0 0 27 36 2 0 0 0 0 28 37 1 0 0 0 0 29 38 2 0 0 0 0 30 39 1 0 0 0 0 31 40 2 0 0 0 0 35 41 2 0 0 0 0 36 41 1 0 0 0 0 37 42 2 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 40 43 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00009591 > A > 213934 > F > 15255 > - > - $$$$ 17 18 0 0 1 0 0 0 0 0 1 V2000 -0.3535 0.4118 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8229 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.4118 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 6 0 0 1 4 1 0 0 0 4 5 1 0 0 0 3 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 3 1 0 0 0 2 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 2 1 0 0 0 5 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 17 M SMT 1 NiCl M SBV 1 17 -4.8273 6.6580 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > F______79062 > F > 79062 > - > - > - > - $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.0001 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011143 > F > 72262 > - > - > - > - $$$$ 21 16 0 0 0 0 0 0 0 0 1 V2000 6.3500 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -2.4921 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8708 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -1.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -3.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -3.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 2 4 2 0 0 0 0 7 9 1 0 0 0 0 3 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 G 10 0 • \n4\nH2O M STY 1 1 SUP M SLB 1 1 1 M SAL 1 12 10 11 12 13 14 15 16 17 18 19 20 21 M SMT 1 • \n4\nH2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00066973 > A > 244066 > F > 72225 > R > 25042 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 1.6833 -0.5333 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 4.2875 -0.5333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1125 -0.5333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2875 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -0.5333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 3 1 2 3 -1 6 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00011146 > R > 13635 > - > - > - > - $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 6.9000 -2.7792 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00000024 > A > 283657 > F > 72228 > - > - $$$$ 12 8 0 0 0 0 0 0 0 0 1 V2000 1.5625 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -0.3375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.3000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -0.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -0.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 0.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 0.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 G 1 0 NiBr2 G 4 0 • \n3\nH2O M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 1 2 3 M SMT 1 NiBr2 M SAL 2 9 4 5 6 7 8 9 10 11 12 M SMT 2 • \n3\nH2O M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00149807 > F > 72243 > - > - > - > - $$$$ 15 6 0 0 0 0 0 0 0 0 1 V2000 -4.8439 -0.0793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1294 0.3332 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4149 -0.0793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1294 1.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -0.0793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1646 0.3332 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4501 -0.0793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1646 1.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5127 -1.4400 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 4.0705 1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 0.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -0.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 -1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 2 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00149805 > A > 244074 > R > 13621 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 6.0333 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.4625 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 2 3 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00001441 > A > N7524 > F > 72255 > - > - $$$$ 14 10 0 0 0 0 0 0 0 0 1 V2000 5.5583 -5.9542 0.0000 Ni 0 6 0 0 0 0 0 0 0 0 0 0 5.5583 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -7.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -4.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -5.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -5.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -4.6500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.4292 -6.1792 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.6167 -7.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -7.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 3 0 0 0 0 7 4 3 0 0 0 0 8 3 3 0 0 0 0 9 5 3 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 M CHG 3 1 -2 10 1 11 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16247103 > MFCD00150396 > A > 415154 > F > 60580 > - > - $$$$ 77 84 0 0 0 0 0 0 0 0 1 V2000 -5.6834 4.9800 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9824 5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6834 3.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2814 4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9824 2.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9824 7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2814 7.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5804 7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5804 5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 7.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9824 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6834 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 2.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 4.7399 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 5.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 5.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 3.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 4.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9645 4.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 2.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 5.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2634 5.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2634 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9645 7.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 2.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -3.8999 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 -3.6299 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 -3.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2214 -3.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 -5.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0245 -3.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -3.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2214 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5204 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5204 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -7.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -7.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -7.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 -8.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 -7.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0245 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.4600 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 6 2 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 7 2 0 0 0 0 4 19 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0