IFLAB-ZINC04315385 MOE2007 3D Structure written by MMmdl. 48 51 0 0 1 0 0 0 0 0999 V2000 0.1230 1.0990 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 1.8120 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 3.1890 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 3.7970 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 3.0920 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 1.7290 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 4.0190 -0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 3.7880 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 5.2380 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 6.5140 0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7870 7.2410 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 6.4300 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 7.7410 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 8.1790 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 6.9870 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 8.7920 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 10.2420 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 10.6120 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 11.9580 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 12.9600 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 12.5920 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 11.2460 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 14.4130 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 14.9450 -3.9250 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 14.6210 -2.2430 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 15.1920 -1.8880 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 0.0300 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 1.2740 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 3.7420 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 1.1920 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 5.6180 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 6.1750 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 8.5230 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 7.6280 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 9.1640 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 7.4590 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 7.1670 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 6.2510 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 8.6610 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 8.1400 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 9.8600 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 12.2250 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 13.3560 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 10.9970 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 5.1080 0.3350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2430 5.8590 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 8.2820 -1.2140 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0420 9.0010 -0.7870 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 47 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END