IFLAB-ZINC00067813 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4000 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.6690 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0110 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.4020 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 0.7080 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.7790 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.3810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.7330 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 0.7510 -1.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.7780 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 0.7980 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4590 0.8180 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6100 0.8410 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 0.8590 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0140 0.8550 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 0.8330 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 0.8140 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 0.7910 0.1000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 0.8820 -3.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9290 0.8850 -4.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1700 0.8980 -2.6710 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9300 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.7490 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -1.4240 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 1.6260 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -0.1530 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5060 0.8440 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0030 0.8690 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 0.8300 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END