15 15 0 0 0 0 0 0 0 0 1 V2000 -1.5017 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 -0.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -0.1483 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5694 -0.1483 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.2137 -0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 12 13 2 0 0 0 2 14 1 0 0 0 14 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 11 M SMT 1 N3 M SBV 1 11 -5.4493 5.3445 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 14 15 M SBL 2 1 14 M SMT 2 ^OCH3 M SBV 2 14 -6.3117 5.9061 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001988 > ALDRICH > 152854 > 4-Methoxybenzyloxycarbonyl azide > 207.19 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.5017 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.8236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 0.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 0.2620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1426 0.2620 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 9 M SMT 1 N3 M SBV 1 9 -5.6211 6.0370 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009700 > ALDRICH > 244546 > Azidomethyl phenyl sulfide > 165.22 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.8563 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 0.3572 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2688 1.0717 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 1 8 2 0 1 9 1 0 10 11 2 0 11 12 2 0 5 10 1 0 M CHG 2 11 1 12 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013987 > DiscoveryCPR > CPS3987 > 4-AZIDOBENZOIC ACID, >98% > 163.135 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.6796 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 -1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 0.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 0.4877 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -1.3099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -1.3099 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8854 -1.3099 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 2 11 1 0 0 0 11 12 2 0 0 0 12 13 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 11 M SMT 1 ^N3 M SBV 1 11 -6.8430 5.9347 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042637 > FLUKA > 11550 > 4-Azidophenacyl bromide > 240.06 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.8872 0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 0.8981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -0.8995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -0.8995 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.8995 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.0930 -0.4843 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 8 9 10 M SBL 1 1 8 M SMT 1 ^N3 M SBV 1 8 -8.3397 5.3997 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043274 > ALDRICH > 359556 > 4-Azidoaniline hydrochloride > 170.6 $$$$ 28 29 0 0 0 0 0 0 0 0 1 V2000 -2.4997 1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3247 1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5796 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 0.3929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -1.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 -0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -0.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 -0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 -0.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 0.7466 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0665 1.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 0.3355 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3615 0.1928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5394 0.1928 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7173 0.1928 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 5 8 2 0 0 0 3 9 2 0 0 0 7 10 1 0 0 0 7 11 2 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 17 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 23 25 1 0 0 0 20 26 1 0 0 0 26 27 2 0 0 0 27 28 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 23 24 25 M SBL 1 1 24 M SMT 1 ^NO2 M SBV 1 24 -6.7400 5.6313 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 26 27 28 M SBL 2 1 27 M SMT 2 N3 M SBV 2 27 -5.8736 5.0775 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049058 > SIGMA > A3407 > 6-(4-Azido-2-nitrophenylamino)hexanoic acid N-hydroxysuccinimide ester > 390.35 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 0.3593 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -1.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 0.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 1.2918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 1.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 1.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -0.7537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7429 0.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -1.1647 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8637 -2.5638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -2.5638 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.5638 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 3 8 1 0 0 0 7 9 1 0 0 0 4 9 2 0 0 0 10 8 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 10 14 1 0 0 0 11 15 2 0 0 0 14 16 2 0 0 0 2 17 1 0 0 0 17 18 2 0 0 0 17 19 1 0 0 0 7 20 1 0 0 0 20 21 2 0 0 0 21 22 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 17 18 19 M SBL 1 1 18 M SMT 1 NO2 M SBV 1 18 -5.6607 6.8843 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 20 21 22 M SBL 2 1 21 M SMT 2 ^N3 M SBV 2 21 -6.8837 5.8877 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00054962 > SIGMA > A3282 > 5-Azido-2-nitrobenzoic acid N-hydroxysuccinimide ester > 305.2 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 8.5079 -6.5795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0954 -7.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8886 -7.0673 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6867 -7.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0993 -6.5795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3060 -6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8886 -6.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3012 -5.5279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5079 -5.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0794 -5.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 -4.6226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 -4.6226 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6507 -4.6226 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 5 10 1 0 0 0 0 10 8 1 0 0 0 0 8 11 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 12 13 2 0 0 0 0 M CHG 2 12 1 13 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00074793 > SIAL > 276219 > 1-Azidoadamantane > 177.25 $$$$ 24 26 0 0 0 0 0 0 0 0 1 V2000 -0.5478 -0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 -0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -1.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -1.2222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 -0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 0.4480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -1.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 -2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4141 -1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 1.5939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 0.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4681 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 -1.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -1.4529 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1825 -1.4529 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 1 0 0 0 1 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 2 1 0 0 0 3 12 2 0 0 0 4 13 1 0 0 0 6 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 7 1 0 0 0 17 14 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 17 21 2 0 0 0 10 22 1 0 0 0 22 23 2 0 0 0 23 24 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 22 23 24 M SBL 1 1 24 M SMT 1 ^N3 M SBV 1 24 -7.5976 3.8838 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00078598 > SIGMA > R109 > Ro 15-4513 > 326.31 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 3.7989 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -0.1233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 -0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -0.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -0.2894 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3207 -0.2894 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 3 6 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 1 6 1 0 0 0 7 8 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 3 12 1 0 0 0 1 13 1 0 0 0 13 14 2 0 0 0 14 15 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 13 14 15 M SBL 1 1 12 M SMT 1 N3 M SBV 1 12 -10.3967 6.1225 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00269874 > FLUKA > 17758 > 11-Azido-3,6,9-trioxaundecan-1-amine > 218.25 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 -0.7922 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 1.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 0.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 0.4676 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2839 0.4676 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 2 0 0 0 9 12 1 0 0 0 12 13 2 0 0 0 2 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 15 18 1 0 0 0 12 19 1 0 0 0 19 20 2 0 0 0 20 21 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 19 20 21 M SBL 1 1 20 M SMT 1 N3 M SBV 1 20 -6.5015 5.9174 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00467584 > FLUKA > 31755 > 7-(Diethylamino)coumarin-3-carbonyl azide > 286.29 $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 -7.3276 -0.1093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6132 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8987 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1842 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1753 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1766 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3276 -0.3032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 -0.3032 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6834 -0.3032 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 22 23 24 M SBL 1 1 21 M SMT 1 N3 M SBV 1 21 -11.9032 3.3491 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03453240 > FLUKA > 76172 > O-(2-Aminoethyl)-O'-(2-azidoethyl)pentaethylene glycol > 350.41 $$$$ 20 21 0 0 1 0 0 0 0 0 1 V2000 -2.2190 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1391 -0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 1.4589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 1.4589 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8854 1.4589 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 2 5 1 1 0 0 4 6 1 0 0 0 4 7 1 0 0 0 2 8 1 0 0 0 8 9 1 1 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 8 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 19 M SMT 1 ^N3 M SBV 1 19 -6.8626 4.7359 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06798056 > ALDRICH > 573213 > (4S)-4-[(1R)-2-Azido-1-(benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane > 277.32 $$$$