B1TMI4 -OEChem-04012113243D 39 41 0 1 0 0 0 0 0999 V2000 0.3050 -3.1571 -1.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7296 0.1977 1.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -1.3388 0.3836 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -1.3582 0.7048 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 2.0679 -1.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -0.9733 0.4743 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9629 -2.1160 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 0.4191 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.3757 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 0.7103 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 -0.7541 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 0.4088 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 1.2736 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 -0.9302 1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 0.6778 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 1.5427 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 0.1200 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 1.2448 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 1.4592 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -0.2574 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 2.3892 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 0.7496 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -1.1513 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 -1.8530 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -2.9432 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 1.1683 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 0.5632 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -2.1235 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -0.0181 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4735 1.5072 1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -1.8162 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -0.5567 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 0.4492 -2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8964 1.9839 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1668 1.4550 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 1.7837 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -1.2983 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 3.4521 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0758 0.5136 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 21 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$