COMGENEX-ZINC06722891 MOE2007 3D Structure written by MMmdl. 47 49 0 0 0 0 0 0 0 0999 V2000 7.2330 12.9420 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 13.0600 4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 11.5010 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 10.3180 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 9.7940 4.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 9.9040 1.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 8.7820 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 8.4940 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 7.2910 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 5.1300 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 3.7500 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 3.0800 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 3.8140 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 5.2130 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 5.8460 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 7.1820 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 8.2560 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 8.4730 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 9.4440 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 1.5720 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.9880 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 13.7330 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 13.3580 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 12.2310 5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 12.4480 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 13.4380 5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 13.8830 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 11.1130 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 12.2430 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 10.3820 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 8.9990 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 7.9060 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 8.2890 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 9.3360 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 3.2190 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 3.2670 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 5.7590 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 8.4580 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 7.8320 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 8.7850 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 10.4230 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 9.4420 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 6.0600 -0.3710 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4630 5.8210 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 12.1970 4.5810 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8460 11.4330 5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 1.0160 -0.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 45 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 45 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 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 16 1 0 0 0 0 9 43 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 43 1 M CHG 1 45 1 M CHG 1 47 -1 M END