BXD1V5 -OEChem-04012120102D 37 39 0 1 0 0 0 0 0999 V2000 6.7523 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 2.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 4.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3567 3.6658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9405 -0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 0.5037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 2.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -1.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -1.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -0.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 1.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 2.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7907 3.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1030 4.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 18 1 0 0 0 0 2 20 2 0 0 0 0 3 9 1 0 0 0 0 3 37 1 0 0 0 0 10 4 1 1 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 15 2 0 0 0 0 6 21 1 0 0 0 0 7 19 1 0 0 0 0 7 21 2 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 20 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$