BWVB36 -OEChem-04022115583D 81 87 0 0 0 0 0 0 0999 V2000 -4.7534 0.8946 -0.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 -1.1047 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 -1.1190 0.1821 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 2.8549 0.6285 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 -1.9359 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7801 -2.8260 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4248 -2.2435 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 -4.2615 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -1.9554 -1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1614 -1.3748 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 -3.3851 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8882 -2.2532 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4544 -4.2606 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0953 -3.6813 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 0.2221 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 0.8306 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 2.1272 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 0.0844 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 0.8417 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 2.2140 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 4.2729 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2624 0.1671 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 2.8740 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 5.1372 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 0.8509 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 2.2009 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 6.6367 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 0.1604 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 7.4700 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 0.5666 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 -0.9123 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 8.9596 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 -0.1000 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 -1.5788 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 -1.1727 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -1.8657 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3767 -1.4385 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6952 -2.9606 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 -2.1062 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 -3.6284 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8661 -3.2013 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1162 -2.8324 -2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2187 -1.8372 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 -5.2857 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7276 -2.3435 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7522 -0.9502 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4218 -0.3449 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 -1.3437 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 -3.4001 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -3.8044 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8001 -2.8545 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1415 -1.2349 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 -4.6869 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3411 -4.8972 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7777 -3.6908 2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9933 -4.3078 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 -1.5623 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 2.7258 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 4.5453 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 4.4951 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.8952 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 3.9241 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 4.9043 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 4.9066 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 2.7842 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 6.8925 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 6.8775 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 7.2383 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 7.2142 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 1.3758 1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 -1.2442 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 9.2555 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 9.5362 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8026 9.2296 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 0.2246 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -2.4089 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 -0.5867 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 -3.3067 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 -1.7737 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -4.4810 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 -3.7212 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 57 1 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 43 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 25 2 0 0 0 0 22 61 1 0 0 0 0 23 26 2 0 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 33 1 0 0 0 0 30 70 1 0 0 0 0 31 34 2 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 35 2 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 38 40 2 0 0 0 0 38 78 1 0 0 0 0 39 41 2 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 M END $$$$