BX89VJ -OEChem-04042103323D 43 46 0 1 0 0 0 0 0999 V2000 -3.5168 -1.2460 0.4330 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 -2.5598 2.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -0.0014 -0.9772 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -2.2151 -0.1942 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 -1.7234 -2.5206 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 2.7769 0.4465 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0805 1.9064 0.4622 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7977 2.7813 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 2.1506 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 0.4396 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 1.6959 1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 2.0170 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 -0.3707 1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 1.1076 1.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 1.4287 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -1.8233 1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 0.9738 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -1.2810 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 0.3657 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -3.6370 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4531 0.9023 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 -1.2298 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 -0.0218 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9936 -2.4363 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 3.6633 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 2.2071 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 2.3342 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4238 3.6604 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 1.7987 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 2.3830 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 0.0025 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 0.7707 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 1.3361 -2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 -3.7717 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -4.2389 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -3.9809 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 -1.0665 -3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9369 -2.6992 -2.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 1.9094 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 0.1938 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5908 -3.2918 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 -2.6981 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 -2.2753 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 10 1 0 0 0 0 3 18 2 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$