IBS-ZINC06670331 MOE2007 3D Structure written by MMmdl. 46 48 0 0 0 0 0 0 0 0999 V2000 -7.0790 8.0980 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 7.5310 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 6.1070 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 5.5460 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8250 5.6130 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 5.0250 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 4.4480 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 4.4260 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 3.8870 -1.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 3.8480 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 3.1590 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 3.0130 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 2.3730 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.8990 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 2.0850 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 2.7010 -1.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 3.8850 -3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 3.4260 -4.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 5.0620 -4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 5.3870 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4930 6.5830 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 6.2550 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1680 8.1360 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 7.4870 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 9.1150 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 7.5430 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 8.1860 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 6.0720 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 5.4600 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 3.4330 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 3.2920 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 4.8670 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 3.3850 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 2.2440 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.3980 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 1.7330 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 5.8180 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 4.0940 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 5.5930 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 4.5210 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 7.4480 -4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 6.8620 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 5.5660 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 7.1860 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 4.9730 -0.5660 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6670 4.9480 0.3690 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 26 1 0 0 0 0 2 27 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 4 5 1 0 0 0 0 4 45 2 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 18 3 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END