OAKWOOD-ZINC02599630 MOE2007 3D Structure written by MMmdl. 57 61 0 0 0 0 0 0 0 0999 V2000 -0.9580 3.3960 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 2.0190 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 1.3770 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 0.0300 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.6090 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.0690 -0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.3050 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.6930 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.3600 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.6790 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -1.0250 -3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.2550 -4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -3.6090 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.3200 -2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 0.7820 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -0.1570 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -0.0420 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 1.0160 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 1.9550 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 1.8440 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 1.1480 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 2.3600 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 2.4930 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 1.4150 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 0.2050 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 0.0730 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 4.0600 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 3.8260 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 3.3850 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 1.8330 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -0.4490 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.6100 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -1.8100 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -2.4360 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 0.0280 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -1.1910 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -0.6860 -5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -0.9970 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -4.6350 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -3.4290 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -3.6160 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -3.9520 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 -0.9790 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 -0.7780 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 2.7890 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 2.5960 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 3.2130 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 3.4370 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9130 1.5170 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 -0.6370 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 -0.8820 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.7020 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7390 2.5890 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -1.8990 -2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -2.7020 -5.1630 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8610 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -2.9480 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 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 1 0 0 0 0 6 9 1 0 0 0 0 7 52 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 54 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 55 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 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 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 52 1 M CHG 1 55 1 M END