COMGENEX-ZINC06869044 MOE2007 3D Structure written by MMmdl. 45 47 0 0 1 0 0 0 0 0999 V2000 -4.6530 2.9190 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 3.8580 1.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0310 4.7220 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 3.1480 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 2.6960 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 3.0770 -0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 3.7070 -0.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9130 4.5290 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 4.4520 1.5020 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 2.7660 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.5550 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.6860 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.0030 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 2.2020 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 3.0880 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 2.5280 -1.1440 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3680 1.6050 -1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 3.7030 -1.4960 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3270 2.4330 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 3.3780 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 1.5150 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 1.5320 -6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 3.0050 -6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 3.6990 -5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 3.4150 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 2.5780 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 2.0220 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 1.2750 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -0.2420 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 0.3120 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 4.0200 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 2.0580 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 1.5630 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 3.6640 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 4.2860 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 0.6340 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 1.6410 -4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 0.9210 -6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 1.1620 -6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 3.3090 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 3.2500 -7.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 4.6630 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.8230 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 2.7420 -4.4150 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6370 2.4460 -4.5090 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 4 1 0 0 0 0 2 9 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 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 44 1 M END