B6VBR2 -OEChem-04042103513D 80 82 0 1 0 0 0 0 0999 V2000 -4.4866 -1.6421 -0.2787 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6343 -1.1663 -3.1389 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.8949 1.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.1812 -0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 1.7086 3.7923 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1704 -0.8573 -2.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -2.9736 1.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 1.5263 1.9956 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 2.8858 0.7935 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0412 -3.5380 -0.7141 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 1.6569 0.6602 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 3.6521 -0.3118 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 -0.6937 -0.7069 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 2.8719 -1.2506 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 0.3910 2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 0.2408 2.3358 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9665 2.9264 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 2.0749 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 -0.9761 3.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 1.2694 4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 3.4814 -2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8241 1.4926 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -0.6024 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -2.8677 0.3435 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0702 4.3040 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0377 0.6127 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 -3.9414 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 2.1033 2.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -3.4643 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 3.2887 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 4.8297 -3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 -0.6132 -1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 -3.9938 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 -3.3985 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -3.4359 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -2.9589 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 -3.0939 -1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 -1.6601 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 1.6741 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 0.5084 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 0.4542 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 0.8832 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 -0.2215 3.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 3.7539 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 2.3187 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9341 2.6847 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 1.2673 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -0.8579 3.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.5460 3.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 -1.5735 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 0.8571 4.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5281 2.2885 3.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 1.3435 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 2.6522 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 4.1045 -2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0729 0.9442 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1526 2.3191 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 1.9742 1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -2.3776 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.6877 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3404 5.1482 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 0.2824 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7905 1.1907 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -4.8470 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -4.2307 1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -3.9668 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 3.9986 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 3.7886 2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 5.4751 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 4.0066 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 5.4148 -2.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5849 -4.5422 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -4.7353 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 -2.8974 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3136 -3.4582 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 -2.5020 -2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -3.9156 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 -3.7432 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -3.2096 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3008 1.2512 -3.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 36 1 0 0 0 0 2 38 1 0 0 0 0 2 41 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 23 2 0 0 0 0 5 28 2 0 0 0 0 6 32 2 0 0 0 0 7 35 2 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 8 58 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 35 1 0 0 0 0 10 37 1 0 0 0 0 10 77 1 0 0 0 0 11 39 2 0 0 0 0 12 14 2 0 0 0 0 13 38 2 0 0 0 0 13 40 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 25 31 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 32 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 35 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 29 34 2 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 38 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 80 1 0 0 0 0 M END $$$$