B3T0DU -OEChem-04012113193D 31 32 0 0 0 0 0 0 0999 V2000 -4.6128 -1.7858 0.3283 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -3.1353 -0.7436 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 -2.9158 1.4174 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 2.7477 -0.1602 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 3.4369 0.7175 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 3.2130 -1.4448 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -0.6513 -0.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 1.5382 0.8027 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 1.2735 0.6442 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 -2.7292 -1.0772 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -0.3657 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 -1.1203 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 1.2352 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 0.9530 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 -1.4023 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 0.1985 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.0788 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7199 -0.4566 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 0.5341 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -2.2288 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 2.6453 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 0.6419 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1336 -1.7048 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 1.7765 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -2.4319 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8559 0.4183 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 -1.6158 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 2.4287 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 0.5610 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 1.5973 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 -0.1588 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 5 21 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 9 17 2 0 0 0 0 10 23 3 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$