CHEMBRIDGE-ZINC00457041 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 0.2060 0.7220 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7850 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -1.1230 0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -2.4160 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -3.2380 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -2.8420 0.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7600 -2.3330 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -4.3560 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -4.7850 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -4.4440 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -3.0160 -0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -2.4780 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -2.2140 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8550 -1.0150 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 -2.7910 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -4.0280 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 -4.5610 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8510 -3.8720 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7580 -2.6450 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 -2.1040 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9880 -1.9150 -0.9350 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.0060 -0.6970 -0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9820 -2.5310 -0.5950 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.2050 -4.4600 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.9760 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.0070 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.2570 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.3200 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.0700 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -4.8650 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -4.6190 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -5.8590 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -4.2570 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -5.0390 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -4.6560 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -1.3940 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -2.9130 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 -4.5670 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7850 -5.5180 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4490 -1.1480 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5390 -5.0570 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9180 -3.6560 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1380 -5.0930 -3.1320 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 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END