LJOV25 -OEChem-05032301353D 53 55 0 1 0 0 0 0 0999 V2000 -6.1196 1.2288 2.4747 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1682 1.7060 -2.2364 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3794 2.0473 0.1901 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.0011 -1.4293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 -3.7874 1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -5.8239 -0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -1.3668 0.3557 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -4.5000 -0.6322 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 1.4006 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 1.6536 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 2.6879 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 2.7956 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0476 3.8280 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 4.0708 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 0.2914 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 -0.3498 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 -2.1496 -0.3265 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1808 -1.5077 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 -3.5501 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -1.6493 -1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 -0.7740 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -0.3234 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 -1.0571 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -0.1817 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 0.2913 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 0.7099 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 0.4664 1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5266 1.0600 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5511 1.3035 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1688 1.4786 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.0867 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1258 1.8938 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 0.7454 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 2.5221 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 2.9940 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 2.4980 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 2.9890 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 4.7446 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 3.5902 -1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9298 4.8468 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 4.4479 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 0.6674 1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 -0.5061 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -1.5625 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 -2.1954 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4512 -2.2259 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 -0.6527 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -1.2205 -2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 0.4031 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -4.3329 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 0.6216 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 0.1304 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -6.1129 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 4 16 2 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 53 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 8 19 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 M END $$$$