D08TGC -OEChem-04152109172D 42 45 0 1 0 0 0 0 0999 V2000 10.3757 1.5950 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 0.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -0.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8772 2.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 1.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5105 2.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.0237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.6332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.2342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3452 1.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3919 -0.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3947 1.5449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8742 0.7316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0873 2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8742 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3431 -0.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 2.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1568 1.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 2.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 2.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7655 0.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4564 0.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 3.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 2.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2398 0.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 9 25 2 0 0 0 0 17 10 1 6 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 23 2 0 0 0 0 11 24 1 0 0 0 0 12 22 1 0 0 0 0 12 26 2 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 40 1 0 0 0 0 14 26 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 6 0 0 0 16 18 1 0 0 0 0 16 28 1 6 0 0 0 17 29 1 0 0 0 0 18 20 1 6 0 0 0 18 30 1 0 0 0 0 19 21 1 1 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$