5MJ CCTOOLS-0919241036 45 47 0 0 0 0 0 0 0 0999 V2000 4.0180 0.1070 0.1750 C 0 0 0 0 0 6.7010 -0.5750 0.1340 C 0 0 0 0 0 4.9350 0.9310 -0.4650 C 0 0 0 0 0 6.2730 0.5900 -0.4840 C 0 0 0 0 0 5.7860 -1.3960 0.7770 C 0 0 0 0 0 4.4480 -1.0560 0.7980 C 0 0 0 0 0 -7.5090 -1.7870 0.5900 O 0 0 0 0 0 -6.5210 -1.3700 0.0190 C 0 0 0 0 0 -5.9670 -1.8960 -1.2860 C 0 0 0 0 0 -4.7270 -1.0210 -1.5480 C 0 0 0 0 0 -4.6780 -0.0710 -0.3750 C 0 0 0 0 0 -5.7100 -0.3190 0.4530 C 0 0 0 0 0 -5.9590 0.4510 1.7240 C 0 0 0 0 0 -3.7340 0.8970 -0.1850 N 0 0 0 0 0 -2.3870 0.5500 -0.1080 C 0 0 0 0 0 -2.0140 -0.7910 -0.1020 C 0 0 0 0 0 -0.6840 -1.1370 -0.0250 C 0 0 0 0 0 -1.4150 1.5460 -0.0440 C 0 0 0 0 0 -1.8840 3.2170 -0.0590 CL 0 0 0 0 0 -0.0830 1.2060 0.0330 C 0 0 0 0 0 0.2930 -0.1410 0.0450 C 0 0 0 0 0 1.7200 -0.5090 0.1270 C 0 0 0 0 0 2.0460 -1.6810 0.1330 O 0 0 0 0 0 2.6610 0.4530 0.1950 N 0 0 0 0 0 8.0190 -0.9110 0.1140 O 0 0 0 0 0 8.9050 -0.0200 -0.5670 C 0 0 0 0 0 4.6020 1.8390 -0.9470 H 0 0 0 0 0 6.9860 1.2310 -0.9810 H 0 0 0 0 0 6.1210 -2.3040 1.2590 H 0 0 0 0 0 3.7360 -1.6960 1.2990 H 0 0 0 0 0 -5.6800 -2.9430 -1.1850 H 0 0 0 0 0 -3.8270 -1.6350 -1.5780 H 0 0 0 0 0 -6.6680 1.2560 1.5290 H 0 0 0 0 0 -6.3700 -0.2190 2.4800 H 0 0 0 0 0 -5.0210 0.8720 2.0840 H 0 0 0 0 0 -4.0010 1.8260 -0.1050 H 0 0 0 0 0 -2.7700 -1.5610 -0.1560 H 0 0 0 0 0 -0.3960 -2.1780 -0.0200 H 0 0 0 0 0 0.6700 1.9780 0.0830 H 0 0 0 0 0 2.3990 1.3850 0.2590 H 0 0 0 0 0 9.9230 -0.4040 -0.5070 H 0 0 0 0 0 8.6070 0.0610 -1.6120 H 0 0 0 0 0 8.8600 0.9640 -0.0990 H 0 0 0 0 0 -6.6970 -1.7780 -2.0870 H 0 0 0 0 0 -4.8410 -0.4690 -2.4810 H 0 0 0 0 0 1 24 1 0 0 0 2 5 2 0 0 0 2 4 1 0 0 0 3 1 1 0 0 0 3 27 1 0 0 0 4 3 2 0 0 0 4 28 1 0 0 0 5 6 1 0 0 0 5 29 1 0 0 0 6 1 2 0 0 0 6 30 1 0 0 0 8 7 2 0 0 0 9 8 1 0 0 0 9 31 1 0 0 0 9 44 1 0 0 0 10 9 1 0 0 0 10 32 1 0 0 0 10 45 1 0 0 0 11 10 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 12 8 1 0 0 0 13 33 1 0 0 0 13 34 1 0 0 0 13 35 1 0 0 0 14 11 1 0 0 0 14 36 1 0 0 0 15 14 1 0 0 0 16 15 2 0 0 0 16 37 1 0 0 0 17 16 1 0 0 0 17 38 1 0 0 0 18 15 1 0 0 0 18 19 1 0 0 0 20 18 2 0 0 0 20 39 1 0 0 0 21 17 2 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 22 2 0 0 0 24 22 1 0 0 0 24 40 1 0 0 0 25 2 1 0 0 0 26 25 1 0 0 0 26 41 1 0 0 0 26 42 1 0 0 0 26 43 1 0 0 0 M END $$$$