KEYORGANICS-ZINC01381949 MOE2007 3D Structure written by MMmdl. 52 56 0 0 0 0 0 0 0 0999 V2000 -0.7000 7.9610 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 7.0810 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 5.7040 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 5.1950 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 6.0900 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 7.4660 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 3.7130 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 1.6170 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.0490 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 1.5480 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 3.0840 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 3.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.0860 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.4620 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.2110 4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -0.3900 5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.4750 6.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 0.0300 5.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 0.6320 4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 0.7070 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 1.2380 2.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.6710 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 0.1350 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 0.9550 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 9.0330 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 7.4700 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 5.0410 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 5.7300 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 8.1560 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 3.2020 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 3.4520 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.3350 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 1.2720 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.0480 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 1.3270 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 3.5170 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 3.4530 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 4.7390 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 3.3760 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -0.7880 6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.9380 7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -0.0450 6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 1.0220 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 0.3290 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -0.9340 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 2.0050 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 0.5340 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 3.1210 -1.2080 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1540 3.4560 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 0.9240 1.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.0750 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.3130 0.6980 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 23 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 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 50 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M END