L91 CCTOOLS-0919241028 47 49 0 0 0 0 0 0 0 0999 V2000 -4.6650 -0.1680 0.4500 C 0 0 0 0 0 3.8300 0.7760 -0.5300 C 0 0 0 0 0 4.6550 0.8180 -1.6380 C 0 0 0 0 0 4.1680 0.4500 -2.8780 C 0 0 0 0 0 2.8550 0.0390 -3.0150 C 0 0 0 0 0 3.5070 2.7210 1.4950 C 0 0 0 0 0 -6.9380 0.3840 -0.0060 C 0 0 0 0 0 -5.9980 -0.5390 0.4380 C 0 0 0 0 0 -0.0410 -1.3930 0.2230 C 0 0 0 0 0 -1.3930 -1.7040 0.0780 C 0 0 0 0 0 -2.2990 -0.7520 0.0230 N 0 0 0 0 0 -1.9760 0.5340 0.1010 C 0 0 0 0 0 -0.6530 0.9320 0.2450 C 0 0 0 0 0 0.3420 -0.0360 0.3090 C 0 0 0 0 0 0.9700 -2.4610 0.2900 C 0 0 0 0 0 0.5870 -3.7530 0.2780 N 0 0 0 0 0 2.1510 -2.1770 0.3570 O 0 0 0 0 0 1.5930 -4.8160 0.3450 C 0 0 0 0 0 1.6740 0.3210 0.4540 N 0 0 0 0 0 2.5110 0.3640 -0.6640 C 0 0 0 0 0 -2.9740 1.4940 0.0360 N 0 0 0 0 0 -4.3130 1.1080 0.0240 C 0 0 0 0 0 -5.2370 1.9590 -0.3930 N 0 0 0 0 0 -6.5160 1.6340 -0.4200 C 0 0 0 0 0 -8.2500 0.0630 -0.0330 F 0 0 0 0 0 2.0250 -0.0050 -1.9130 C 0 0 0 0 0 4.4540 1.2380 1.0510 S 0 0 0 0 0 4.1040 0.1520 1.8970 O 0 0 0 0 0 5.8140 1.5690 0.8090 O 0 0 0 0 0 -3.9080 -0.8600 0.7890 H 0 0 0 0 0 5.6810 1.1390 -1.5340 H 0 0 0 0 0 4.8150 0.4850 -3.7430 H 0 0 0 0 0 2.4780 -0.2480 -3.9860 H 0 0 0 0 0 2.4460 2.4770 1.5320 H 0 0 0 0 0 3.8310 3.0800 2.4720 H 0 0 0 0 0 3.6760 3.4970 0.7490 H 0 0 0 0 0 -6.3010 -1.5220 0.7660 H 0 0 0 0 0 -1.6990 -2.7370 0.0110 H 0 0 0 0 0 -0.4010 1.9800 0.3070 H 0 0 0 0 0 -0.3550 -3.9790 0.2250 H 0 0 0 0 0 1.0970 -5.7870 0.3240 H 0 0 0 0 0 2.2660 -4.7330 -0.5080 H 0 0 0 0 0 2.1630 -4.7190 1.2690 H 0 0 0 0 0 2.0240 0.5400 1.3310 H 0 0 0 0 0 -2.7410 2.4350 -0.0010 H 0 0 0 0 0 -7.2420 2.3550 -0.7660 H 0 0 0 0 0 1.0000 -0.3260 -2.0200 H 0 0 0 0 0 1 30 1 0 0 0 2 20 2 0 0 0 3 4 2 0 0 0 3 2 1 0 0 0 3 31 1 0 0 0 4 5 1 0 0 0 4 32 1 0 0 0 5 26 2 0 0 0 5 33 1 0 0 0 6 27 1 0 0 0 6 34 1 0 0 0 6 35 1 0 0 0 6 36 1 0 0 0 7 8 2 0 0 0 8 1 1 0 0 0 8 37 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 10 38 1 0 0 0 12 21 1 0 0 0 12 11 2 0 0 0 13 12 1 0 0 0 13 39 1 0 0 0 14 13 2 0 0 0 14 9 1 0 0 0 15 9 1 0 0 0 15 16 1 0 0 0 16 40 1 0 0 0 17 15 2 0 0 0 18 16 1 0 0 0 18 41 1 0 0 0 18 42 1 0 0 0 18 43 1 0 0 0 19 14 1 0 0 0 19 44 1 0 0 0 20 26 1 0 0 0 20 19 1 0 0 0 21 45 1 0 0 0 22 21 1 0 0 0 22 1 2 0 0 0 23 22 1 0 0 0 24 23 2 0 0 0 24 7 1 0 0 0 24 46 1 0 0 0 25 7 1 0 0 0 26 47 1 0 0 0 27 2 1 0 0 0 27 28 2 0 0 0 29 27 2 0 0 0 M END $$$$