BR3J5P -OEChem-04042103513D 42 45 0 0 0 0 0 0 0999 V2000 2.4791 2.7457 -0.2625 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -2.8059 -0.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -2.0783 -1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3948 -1.4853 2.2383 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6721 0.6091 2.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7755 0.1851 -0.0679 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 -0.3252 2.0114 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3881 0.6316 0.0451 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 0.5338 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 0.3559 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -0.5152 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 0.9336 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 -0.3152 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 1.7827 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 1.9826 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4601 -0.0587 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 1.1407 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 0.6092 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8437 -0.2202 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 0.7534 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 -1.8358 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7988 0.4478 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5130 0.0330 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 2.1286 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 -0.0481 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 -1.4272 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 -2.1556 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -0.1100 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5265 -1.4920 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 -1.1367 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 2.6101 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 2.9694 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 0.9330 -2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 -0.5428 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 0.6448 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5902 -0.0927 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 2.7993 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 -1.9516 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -3.2383 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8465 -3.6908 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 0.4549 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 -2.0393 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 40 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 16 1 0 0 0 0 8 25 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$