IBS-ZINC02232170 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 0.4550 1.0770 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.3150 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 1.1530 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 1.3510 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 1.7350 3.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.8550 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.6390 2.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 2.2190 4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 2.3280 5.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 2.0490 4.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 2.4430 5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 1.6430 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.8590 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.8760 6.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 3.6760 6.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 3.4600 6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 1.2060 1.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 0.6080 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 1.6300 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 2.6900 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 1.6620 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 3.0870 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 0.2430 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.9750 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.8410 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.8470 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 2.5970 6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 0.8370 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 1.2320 5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 3.0450 6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 4.4710 7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 4.1070 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -0.2610 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 0.2170 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 2.5140 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 1.1720 4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 3.5950 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 2.9510 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 2.1310 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 0.7990 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4460 3.3490 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 2.5920 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 3.9700 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 2.1150 2.4590 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2730 1.2950 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 44 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END