B2DMS8 -OEChem-04012114362D 46 49 0 0 0 0 0 0 0999 V2000 9.2949 3.2505 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -0.6154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2949 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -1.5859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3462 -2.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -2.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 4.2505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4289 -1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 -0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3243 -2.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 -0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0675 -2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4289 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4289 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8596 -3.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0185 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6027 -4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7617 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5538 -4.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 -0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5069 -1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9055 -0.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3864 -0.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 -4.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1474 -1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4738 -5.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3513 -3.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0145 -4.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -0.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8318 4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 2 29 1 0 0 0 0 5 30 1 0 0 0 0 5 46 1 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 8 13 2 0 0 0 0 9 22 2 0 0 0 0 9 28 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 33 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$