KEYORGANICS-ZINC04051039 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 0.7690 15.8540 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 13.8340 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 12.3430 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 11.5280 -0.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 12.1490 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 13.6500 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 10.1300 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 9.2890 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 7.8900 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 7.2440 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 8.0640 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 9.4650 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 5.7740 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 5.0470 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 3.6610 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 3.0190 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 1.6200 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.0140 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 1.8000 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 3.1890 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 3.8200 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 5.1610 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 16.2910 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 16.1560 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 16.1380 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 14.0230 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 14.4050 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 11.9960 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 12.2310 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 11.9780 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 11.6900 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 13.8470 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 14.0870 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 9.6850 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 7.3010 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 7.6340 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 10.0090 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 5.5320 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 3.0900 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 0.9970 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -0.0670 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 1.3360 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 3.7960 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 14.3610 -0.9130 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3630 14.1110 -1.8040 H 0 0 0 0 0 0 0 0 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 1 44 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 2 44 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END