B9TC2A -OEChem-04012113433D 42 44 0 1 0 0 0 0 0999 V2000 0.4336 -1.2237 -0.1082 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.4785 -0.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.1104 1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 0.0577 -1.1729 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.8599 1.2517 0.1881 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 2.4508 0.7639 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0974 0.2312 0.9704 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 1.1883 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 0.3555 -2.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -0.7908 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 2.4176 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 1.1463 -3.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 0.2383 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 0.0247 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -1.2761 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 3.1536 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 0.3664 1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 -0.9345 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7536 -0.1132 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 -0.7050 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 0.1570 1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -1.7291 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5717 -0.8674 1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 -1.8104 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 0.9098 -1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1484 -0.5895 -2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 2.7470 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8382 0.6341 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 2.1510 -3.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 1.2599 -4.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 0.4146 1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -1.9158 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 4.1723 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 1.0084 2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2197 -1.3144 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -0.6528 -1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5616 0.8698 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 -2.4549 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -0.9322 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4161 -2.6062 0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3263 0.8279 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 -0.1150 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 16 2 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$