IFLAB-ZINC04315498 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.6720 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5340 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1040 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -2.6180 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -3.9600 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -4.1770 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 -3.0270 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -2.0210 0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -1.0690 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -2.8200 0.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -4.5530 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9270 -4.6260 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3490 -6.0280 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6610 -6.3370 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4950 -5.4510 0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0830 -7.7390 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -8.0480 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8200 -9.4580 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1800 -9.7820 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5690 -11.1050 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6180 -12.1100 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2700 -11.7970 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8650 -10.4790 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5980 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.7510 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0440 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1840 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -4.7210 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -5.0440 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 -5.0540 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3060 -4.1340 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3220 -4.1250 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6850 -6.7350 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3430 -8.5260 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1350 -7.2620 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9230 -8.9990 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6190 -11.3570 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9290 -13.1440 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5340 -12.5870 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8120 -10.2360 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END