B1TMI4 -OEChem-04012113052D 39 41 0 1 0 0 0 0 0999 V2000 5.8228 -0.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 0.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -0.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 1.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 4.8310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6980 -1.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 2.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 3.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 3.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 4.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -0.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -1.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 1.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 2.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 1.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 2.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 5.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 3.9650 0.0000 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 6 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 $$$$