BBE CCTOOLS-0919241032 48 50 0 0 0 0 0 0 0 0999 V2000 -5.2130 -0.8710 -0.5210 C 0 0 0 0 0 -5.9080 -0.7490 -1.7100 C 0 0 0 0 0 -5.9010 0.4520 -2.3950 C 0 0 0 0 0 -5.1990 1.5310 -1.8900 C 0 0 0 0 0 -4.5050 1.4100 -0.7010 C 0 0 0 0 0 -4.5110 0.2080 -0.0170 C 0 0 0 0 0 -3.7540 0.0750 1.2790 C 0 0 0 0 0 -2.3860 -0.3720 1.0020 N 0 0 0 0 0 -1.3940 0.5560 0.7830 C 0 0 0 0 0 -1.6800 1.9010 0.8230 N 0 0 0 0 0 -2.1070 -1.6880 0.9690 C 0 0 0 0 0 -2.9950 -2.4940 1.1700 O 0 0 0 0 0 -0.8600 -2.1260 0.7170 N 0 0 0 0 0 0.1420 -1.2540 0.4910 C 0 0 0 0 0 1.2690 -1.6590 0.2630 O 0 0 0 0 0 -0.1200 0.1280 0.5250 C 0 0 0 0 0 0.9180 1.0610 0.2960 N 0 0 0 0 0 0.7180 2.1630 -0.6480 C 0 0 0 0 0 2.3600 0.9070 1.0950 S 0 0 0 0 0 2.7190 2.2110 1.5310 O 0 0 0 0 0 2.2130 -0.1950 1.9800 O 0 0 0 0 0 3.5680 0.4300 -0.0960 C 0 0 0 0 0 4.2850 1.3960 -0.7790 C 0 0 0 0 0 5.2320 1.0220 -1.7130 C 0 0 0 0 0 5.4640 -0.3170 -1.9640 C 0 0 0 0 0 4.7490 -1.2830 -1.2810 C 0 0 0 0 0 3.8040 -0.9090 -0.3440 C 0 0 0 0 0 5.0010 -2.7430 -1.5560 C 0 0 0 0 0 -5.2220 -1.8080 0.0160 H 0 0 0 0 0 -6.4560 -1.5920 -2.1040 H 0 0 0 0 0 -6.4430 0.5480 -3.3240 H 0 0 0 0 0 -5.1930 2.4700 -2.4250 H 0 0 0 0 0 -3.9560 2.2520 -0.3070 H 0 0 0 0 0 -3.7250 1.0410 1.7840 H 0 0 0 0 0 -4.2520 -0.6540 1.9180 H 0 0 0 0 0 -2.5620 2.2020 1.0930 H 0 0 0 0 0 -1.0000 2.5490 0.5810 H 0 0 0 0 0 -0.6810 -3.0790 0.6970 H 0 0 0 0 0 0.8660 3.1130 -0.1340 H 0 0 0 0 0 1.4340 2.0760 -1.4650 H 0 0 0 0 0 -0.2960 2.1200 -1.0460 H 0 0 0 0 0 4.1030 2.4420 -0.5820 H 0 0 0 0 0 3.2480 -1.6630 0.1930 H 0 0 0 0 0 5.7910 1.7770 -2.2470 H 0 0 0 0 0 6.2040 -0.6090 -2.6950 H 0 0 0 0 0 5.7810 -3.1090 -0.8880 H 0 0 0 0 0 4.0840 -3.3080 -1.3880 H 0 0 0 0 0 5.3200 -2.8680 -2.5910 H 0 0 0 0 0 1 2 1 0 0 0 1 6 2 0 0 0 1 29 1 0 0 0 2 3 2 0 0 0 2 30 1 0 0 0 3 4 1 0 0 0 3 31 1 0 0 0 4 5 2 0 0 0 4 32 1 0 0 0 5 6 1 0 0 0 5 33 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 34 1 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 16 2 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 13 38 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 18 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 21 2 0 0 0 19 20 2 0 0 0 19 22 1 0 0 0 22 23 1 0 0 0 22 27 2 0 0 0 23 24 2 0 0 0 23 42 1 0 0 0 24 25 1 0 0 0 24 44 1 0 0 0 25 26 2 0 0 0 25 45 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 27 43 1 0 0 0 28 46 1 0 0 0 28 47 1 0 0 0 28 48 1 0 0 0 M END $$$$