B3RL9Z -OEChem-04022117453D 49 51 0 1 0 0 0 0 0999 V2000 3.4452 1.2791 -0.7353 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 1.9049 -1.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 4.7620 -0.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 3.2846 1.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -1.7791 -1.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 -3.0991 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 0.5011 -0.2308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 -1.6887 0.1849 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 0.8303 -0.5212 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 -1.2633 -0.2438 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -3.3338 0.2513 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -2.9386 1.1581 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 3.7211 0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7294 2.6979 0.8503 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2679 2.9120 -0.3970 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8607 1.9061 -0.4467 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3677 2.2081 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 0.0857 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -0.6001 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -1.2746 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 0.6012 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -0.6275 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -1.9527 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 -1.8163 0.3196 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8732 0.0658 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -2.3045 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 -4.0814 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8017 4.1831 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 2.0515 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 3.5381 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 2.3651 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.5053 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9677 2.9441 0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 5.3764 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 3.8539 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 -0.5518 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 0.3414 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8473 1.3790 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -0.3376 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -0.9466 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -1.5748 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8067 0.5857 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 -3.8123 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -2.6569 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9098 -3.7045 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 -5.1327 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 -3.7072 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6218 -4.0364 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 -2.1068 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 26 1 0 0 0 0 5 49 1 0 0 0 0 6 26 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 18 2 0 0 0 0 9 25 1 0 0 0 0 10 23 1 0 0 0 0 10 25 2 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 11 43 1 0 0 0 0 12 24 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$