COMGENEX-ZINC06838957 MOE2007 3D Structure written by MMmdl. 44 46 0 0 1 0 0 0 0 0999 V2000 3.6930 -2.3590 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -1.9600 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.5100 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.4410 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.0680 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -0.7430 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.2230 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.1840 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 0.9340 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 0.9420 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 2.0240 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.6340 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 2.5040 0.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1270 1.8580 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 3.2510 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 3.9950 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 3.2900 1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 3.3500 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 4.6610 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 5.3890 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 4.8240 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 3.5240 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 2.7990 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 2.8510 -4.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 3.5670 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -2.6810 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -1.5210 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -3.1860 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -2.8030 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -1.1550 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -3.4830 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.8110 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -0.4660 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 2.9920 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 2.5340 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 3.9380 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 5.1390 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 6.4060 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 5.4260 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.7840 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 4.4480 -5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 3.8420 -6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 2.9050 -6.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 5.2220 2.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 44 -1 M END