LJI8D2 -OEChem-05032301112D 41 44 0 1 0 0 0 0 0999 V2000 6.7619 -3.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 0.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3561 4.1224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 -2.2175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6783 -3.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 4.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -1.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -2.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -3.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -0.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 -3.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 1.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 2.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8931 4.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 5.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 35 1 0 0 0 0 3 12 2 0 0 0 0 4 17 2 0 0 0 0 7 5 1 1 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 40 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 9 1 0 0 0 0 8 12 1 1 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$