D0T8TS -OEChem-10101305022D 46 48 0 0 0 0 0 0 0999 V2000 3.8611 0.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 1.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8186 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5617 1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5128 0.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5275 -0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3071 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1586 1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8528 1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0731 1.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 -0.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3212 0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1024 0.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7044 1.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 3.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 10 2 0 0 0 0 4 12 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 21 2 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$