IBS-ZINC01447961 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 -3.6760 -2.1200 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -1.0560 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -0.3460 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -0.7020 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -1.7710 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -2.4780 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.0580 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.4140 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 2.1360 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 1.5900 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 2.3950 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.8180 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 0.4340 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -0.3720 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.1950 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.6440 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -1.8590 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 2.6080 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.3720 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 3.2580 2.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 4.3490 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 4.4830 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 5.3980 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 6.1810 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 6.0540 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 5.1470 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 6.8960 3.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5270 7.7000 3.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 6.7850 4.3760 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6040 -2.6730 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -0.7810 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 0.4840 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.0480 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -3.3090 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 1.9280 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 3.4690 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -0.0030 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -1.4440 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 3.8730 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 5.5020 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 6.8960 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 5.0520 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 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 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END