N1R CCTOOLS-1004241122 55 56 0 0 0 0 0 0 0 0999 V2000 0.6690 0.2080 -1.2640 C 0 0 0 0 0 3.0400 3.6690 0.4190 C 0 0 0 0 0 4.9390 -1.4280 -0.9050 C 0 0 0 0 0 5.2740 -2.2980 0.1170 C 0 0 0 0 0 4.7170 -0.6220 1.7340 C 0 0 0 0 0 -0.0530 1.4220 1.3190 C 0 0 0 0 0 -8.0620 -1.4310 -0.6240 C 0 0 0 0 0 -7.1140 -0.4580 0.0290 C 0 0 0 0 0 -4.8610 0.3290 0.5220 C 0 0 0 0 0 -3.4200 -0.0740 0.2080 C 0 0 0 0 0 -2.4570 0.9140 0.8710 C 0 0 0 0 0 -1.0150 0.5100 0.5560 C 0 0 0 0 0 -0.7650 0.6460 -0.9480 C 0 0 0 0 0 2.6140 1.6670 -0.9810 C 0 0 0 0 0 3.6260 2.3560 -0.1020 C 0 0 0 0 0 4.8910 2.6470 -0.9120 C 0 0 0 0 0 4.3910 0.2560 0.7110 C 0 0 0 0 0 4.4980 -0.1520 -0.6110 C 0 0 0 0 0 5.1630 -1.8950 1.4360 C 0 0 0 0 0 1.3890 0.9940 1.0290 C 0 0 0 0 0 -5.7830 -0.6160 -0.1120 N 0 0 0 0 0 1.5950 0.9820 -0.4260 N 0 0 0 0 0 -7.5490 0.4670 0.6820 O 0 0 0 0 0 2.7160 1.7300 -2.1880 O 0 0 0 0 0 3.9520 1.5090 1.0020 O 0 0 0 0 0 5.8340 -3.8980 -0.2560 CL 0 0 0 0 0 0.7820 -0.8550 -1.0490 H 0 0 0 0 0 0.8850 0.3950 -2.3160 H 0 0 0 0 0 2.0920 3.4710 0.9190 H 0 0 0 0 0 3.7350 4.1230 1.1250 H 0 0 0 0 0 2.8750 4.3500 -0.4160 H 0 0 0 0 0 5.0270 -1.7440 -1.9340 H 0 0 0 0 0 4.6310 -0.3070 2.7640 H 0 0 0 0 0 -0.1970 2.4540 0.9980 H 0 0 0 0 0 -0.2470 1.3430 2.3890 H 0 0 0 0 0 -7.8730 -2.4340 -0.2410 H 0 0 0 0 0 -9.7610 -0.9560 -0.2530 CL 0 0 0 0 0 -7.9080 -1.4190 -1.7030 H 0 0 0 0 0 -5.0150 0.3170 1.6010 H 0 0 0 0 0 -5.0500 1.3330 0.1400 H 0 0 0 0 0 -3.2310 -1.0770 0.5900 H 0 0 0 0 0 -3.2660 -0.0620 -0.8720 H 0 0 0 0 0 -2.6460 1.9170 0.4880 H 0 0 0 0 0 -2.6110 0.9020 1.9500 H 0 0 0 0 0 -0.8530 -0.5240 0.8590 H 0 0 0 0 0 -0.9020 1.6840 -1.2470 H 0 0 0 0 0 -1.4670 0.0140 -1.4920 H 0 0 0 0 0 5.6500 3.0770 -0.2580 H 0 0 0 0 0 5.2670 1.7200 -1.3450 H 0 0 0 0 0 4.6570 3.3520 -1.7100 H 0 0 0 0 0 4.2380 0.5270 -1.4090 H 0 0 0 0 0 5.4160 -2.5790 2.2320 H 0 0 0 0 0 2.0800 1.6990 1.4900 H 0 0 0 0 0 1.5610 -0.0050 1.4310 H 0 0 0 0 0 -5.4350 -1.3560 -0.6350 H 0 0 0 0 0 1 13 1 0 0 0 1 22 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 15 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 2 31 1 0 0 0 3 4 1 0 0 0 3 32 1 0 0 0 4 26 1 0 0 0 5 19 1 0 0 0 5 33 1 0 0 0 6 20 1 0 0 0 6 12 1 0 0 0 6 34 1 0 0 0 6 35 1 0 0 0 7 8 1 0 0 0 7 36 1 0 0 0 7 37 1 0 0 0 7 38 1 0 0 0 8 23 2 0 0 0 9 39 1 0 0 0 9 40 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 10 41 1 0 0 0 10 42 1 0 0 0 11 12 1 0 0 0 11 43 1 0 0 0 11 44 1 0 0 0 12 45 1 0 0 0 13 12 1 0 0 0 13 46 1 0 0 0 13 47 1 0 0 0 14 24 2 0 0 0 14 15 1 0 0 0 15 25 1 0 0 0 15 16 1 0 0 0 16 48 1 0 0 0 16 49 1 0 0 0 16 50 1 0 0 0 17 5 2 0 0 0 17 18 1 0 0 0 18 3 2 0 0 0 18 51 1 0 0 0 19 4 2 0 0 0 19 52 1 0 0 0 20 22 1 0 0 0 20 53 1 0 0 0 20 54 1 0 0 0 21 8 1 0 0 0 21 9 1 0 0 0 21 55 1 0 0 0 22 14 1 0 0 0 25 17 1 0 0 0 M END $$$$