BRL3T1 -OEChem-04022107343D 52 55 0 0 0 0 0 0 0999 V2000 -6.3786 -1.4382 0.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -2.6725 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 0.7758 0.8255 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 2.3050 -0.1602 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 0.3507 0.1026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -1.7749 0.1385 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 -0.3271 -0.1148 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 2.8986 -1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 2.9809 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 4.1967 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 3.8572 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 1.2380 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0823 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 0.4061 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 1.4955 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 -0.9014 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -1.1740 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 -1.0121 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7052 1.4896 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -3.2127 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -1.5638 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -1.4972 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 -0.3781 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5342 -2.5539 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.3159 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -2.4915 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 -1.3724 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9273 0.7738 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 2.2328 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 3.0987 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 3.5944 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 2.2756 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 4.5190 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 4.9984 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 4.7422 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 3.2808 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9626 2.5095 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 -2.2100 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 0.5138 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7465 1.1614 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5582 2.0593 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4797 2.1188 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9546 -3.6445 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -3.5742 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3795 -3.5151 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9324 0.4489 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 -3.4322 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -3.3142 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 -1.3894 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 -0.0340 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 0.7533 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 1.7165 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$