LBV3J7 -OEChem-05022322313D 40 42 0 0 0 0 0 0 0999 V2000 5.6013 1.3054 0.0775 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8151 2.0579 -1.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 1.9605 1.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8172 2.4622 0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 -3.0242 -0.1321 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -3.3206 -0.1336 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 -0.5087 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 -1.0873 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0013 0.6070 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -0.8001 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 -0.2513 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -0.2801 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -0.1796 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 0.2777 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 0.3784 -1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -2.4543 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.0424 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 -2.1800 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6964 -0.0951 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 1.3233 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6245 -0.4254 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 2.1362 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 0.3875 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 1.6683 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 0.8228 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -0.5325 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 -0.3529 -2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 0.4403 2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 0.6212 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 -2.6935 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 0.2764 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -0.7263 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -0.6475 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 1.7181 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6968 -1.4049 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 3.1309 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6679 0.0141 1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 -3.0037 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 -4.3130 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5394 1.9799 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$