OT1 CCTOOLS-0828261229 49 55 0 0 0 0 0 0 0 0999 V2000 -0.2290 0.1290 -0.3430 C 0 6 0 0 0 -2.6110 1.0190 0.7920 C 0 0 0 0 0 1.9590 -1.4120 0.1630 C 0 0 0 0 0 0.1420 -1.0820 1.7440 C 0 0 0 0 0 -1.0660 -0.4270 1.8830 C 0 0 0 0 0 -1.8220 -0.5310 3.0570 C 0 0 0 0 0 -1.3170 -1.3150 4.0730 C 0 0 0 0 0 -0.1110 -1.9730 3.9400 C 0 0 0 0 0 0.6410 -1.8760 2.7870 C 0 0 0 0 0 1.4770 1.2460 -1.6650 C 0 0 0 0 0 2.6830 2.1280 -1.4480 C 0 0 0 0 0 1.5840 0.0020 -2.5140 C 0 0 0 0 0 2.9300 -0.4610 -3.0220 C 0 0 0 0 0 0.3500 -0.7270 -2.5920 C 0 0 0 0 0 0.1300 -2.0410 -3.3030 C 0 0 0 0 0 -0.6440 0.0840 -1.8420 C 0 0 0 0 0 -2.0350 -0.4990 -2.0360 C 0 0 0 0 0 0.0580 1.5460 -1.2300 C 0 5 0 0 0 -0.2740 2.8400 -0.5180 C 0 0 0 0 0 -1.3310 0.2770 0.7330 N 0 0 0 0 0 0.6580 -0.7890 0.4750 N 0 0 0 0 0 -2.2460 2.0890 -3.6210 CL 0 5 0 0 0 -0.2500 1.2970 -2.4770 IR 0 0 0 0 0 -3.3440 0.4000 0.9360 H 0 0 0 0 0 -2.7650 1.4930 -0.0330 H 0 0 0 0 0 -2.5830 1.6620 1.5170 H 0 0 0 0 0 2.2950 -1.9220 0.9050 H 0 0 0 0 0 2.6030 -0.7230 -0.0440 H 0 0 0 0 0 1.8590 -2.0050 -0.5950 H 0 0 0 0 0 -2.6450 -0.0910 3.1650 H 0 0 0 0 0 -1.8060 -1.4020 4.8720 H 0 0 0 0 0 0.2070 -2.5010 4.6510 H 0 0 0 0 0 1.4570 -2.3350 2.7250 H 0 0 0 0 0 2.4340 2.9480 -1.0000 H 0 0 0 0 0 3.0890 2.3540 -2.3000 H 0 0 0 0 0 3.3330 1.6600 -0.8980 H 0 0 0 0 0 2.8620 -1.3350 -3.4330 H 0 0 0 0 0 3.5620 -0.5180 -2.2880 H 0 0 0 0 0 3.2630 0.1680 -3.6840 H 0 0 0 0 0 -0.3560 -2.6540 -2.7290 H 0 0 0 0 0 0.9760 -2.4510 -3.5330 H 0 0 0 0 0 -0.3750 -1.8920 -4.1190 H 0 0 0 0 0 -2.7080 0.1420 -1.7760 H 0 0 0 0 0 -2.1440 -1.3060 -1.5030 H 0 0 0 0 0 -2.1850 -0.7100 -2.9710 H 0 0 0 0 0 -1.2090 3.0570 -0.6500 H 0 0 0 0 0 0.2500 3.5680 -0.8870 H 0 0 0 0 0 -0.0850 2.7610 0.4320 H 0 0 0 0 0 0.7860 3.0120 -3.8410 CL 0 5 0 0 0 1 20 1 0 0 0 1 21 1 0 0 0 1 23 1 0 0 0 2 20 1 0 0 0 2 24 1 0 0 0 2 25 1 0 0 0 2 26 1 0 0 0 3 21 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 3 29 1 0 0 0 4 5 2 0 0 0 4 9 1 0 0 0 4 21 1 0 0 0 5 6 1 0 0 0 5 20 1 0 0 0 6 7 2 0 0 0 6 30 1 0 0 0 7 8 1 0 0 0 7 31 1 0 0 0 8 9 2 0 0 0 8 32 1 0 0 0 9 33 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 10 18 1 0 0 0 10 23 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 23 1 0 0 0 13 37 1 0 0 0 13 38 1 0 0 0 13 39 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 14 23 1 0 0 0 15 40 1 0 0 0 15 41 1 0 0 0 15 42 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 23 1 0 0 0 17 43 1 0 0 0 17 44 1 0 0 0 17 45 1 0 0 0 18 19 1 0 0 0 18 23 1 0 0 0 19 46 1 0 0 0 19 47 1 0 0 0 19 48 1 0 0 0 23 22 1 0 0 0 49 23 1 0 0 0 M CHG 1 1 -2 M CHG 1 18 -1 M CHG 1 22 -1 M CHG 1 49 -1 M END $$$$