B3CHK4 -OEChem-04012114443D 34 37 0 1 0 0 0 0 0999 V2000 -1.8539 0.5738 -1.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 -0.8052 2.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 2.4551 0.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -2.1039 -0.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 0.2660 -0.5328 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 1.9167 -0.1143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -1.6472 -0.2744 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 -0.9500 0.2953 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8176 1.3496 0.5506 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 0.1860 -0.2052 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3780 -1.2590 0.2731 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1845 -0.2332 1.0491 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7998 -0.3982 -0.8625 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4907 -1.1365 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 1.2946 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 -0.3339 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 1.6185 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 0.7059 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 0.3593 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 -1.8585 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -1.8559 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 0.5524 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -0.9596 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4389 -1.4106 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6103 -1.1331 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 -2.7248 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 1.0167 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3654 1.5534 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 -0.1047 2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 2.3426 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9788 3.1487 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -2.8967 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 2.3274 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7664 1.0725 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 20 32 1 0 0 0 0 M END $$$$