B1MCV4 -OEChem-04022107513D 55 57 0 0 0 0 0 0 0999 V2000 -2.7696 3.0679 0.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 1.9306 -0.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -2.4500 -0.8123 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 0.9596 0.2369 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 0.9969 -1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -5.3314 0.9465 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7488 -2.2263 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5038 -1.3830 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 2.8522 -0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 0.1790 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 -0.0398 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 -1.9452 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 2.2607 -1.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 2.8761 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 2.3231 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 0.7412 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 -1.1641 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 2.3133 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 3.9343 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 3.9580 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1731 -3.6477 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1115 -1.2843 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 4.4872 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 0.9559 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -0.4049 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 -0.6447 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 -1.4428 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 -1.9223 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 -2.7205 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6627 -2.9602 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 -4.2688 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4761 -1.7983 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4472 -3.1826 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 2.9565 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 2.0539 -2.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 0.4095 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -2.9906 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 1.5042 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 1.7711 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 -1.6156 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2152 0.4464 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 4.3557 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 4.3998 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5798 -4.5341 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5958 -3.8292 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9987 -3.5687 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4799 -0.3959 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9263 -1.0542 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5512 -1.4560 -2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 5.3286 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 0.1496 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8563 0.1497 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -1.2943 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 -2.0938 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -3.5178 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 24 2 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 4 41 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 0 0 0 0 5 51 1 0 0 0 0 6 31 3 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 17 2 0 0 0 0 12 37 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 19 23 2 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$