IBS-ZINC01306118 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1830 -0.6570 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.0610 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.7630 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.0670 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.6960 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -0.2970 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -1.4160 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.4780 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -1.4560 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -1.4640 -1.6340 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -1.5120 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0220 -1.5320 -2.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3090 -1.5700 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4780 -1.5970 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7160 -1.6340 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8370 -1.6450 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7090 -1.6190 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4460 -1.5820 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8370 -1.5490 0.2810 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.9320 -1.6610 -2.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.8310 -1.6510 -4.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0330 -1.6940 -2.3500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.0960 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -2.5810 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -3.8430 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 0.7210 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -2.3580 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -0.5790 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3990 -1.5880 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8160 -1.6740 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8060 -1.6280 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END