NIH-ZINC04005176 MOE2007 3D Structure written by MMmdl. 55 59 0 0 1 0 0 0 0 0999 V2000 3.0580 2.2310 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 2.6180 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 3.8880 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 4.2400 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 3.3120 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 2.0090 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 1.6870 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 0.9280 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 3.7380 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 3.8260 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 4.2510 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 4.4860 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 4.1560 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 4.1600 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 4.9570 -1.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2990 5.4520 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 3.5720 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3580 4.4370 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 5.5660 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 5.8660 -0.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 7.1580 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 7.9410 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 9.2170 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 9.6730 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 8.8750 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 7.6150 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 2.4040 -1.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 3.5630 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 1.7840 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 3.1040 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.5110 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 4.6190 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 5.2490 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.6870 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.8490 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.1000 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.0390 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 4.4060 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 3.2890 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 4.1260 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 5.0710 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 4.2610 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 7.5900 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 9.8760 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 10.6730 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 9.2170 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 2.1700 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 1.7030 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 3.7030 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 4.2550 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 2.5470 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 6.5880 0.2360 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.1560 6.6280 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 3.7860 -1.8660 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9120 3.0680 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 17 54 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 52 2 0 0 0 0 20 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 52 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END