BVR5I2 -OEChem-04042107233D 56 59 0 1 0 0 0 0 0999 V2000 1.7070 1.5748 1.4640 P 0 0 1 0 0 0 0 0 0 0 0 0 2.9365 0.8250 0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 1.5516 -1.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 1.9582 0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 0.3773 2.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 2.7321 2.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -0.8672 -2.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4884 -3.1371 1.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3902 0.1833 -0.8434 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 -1.9878 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0339 -0.1038 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 -0.9631 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 -0.4723 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 2.7984 -0.6702 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0504 -0.8816 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 0.3806 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 1.1946 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 -1.2861 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 1.3807 -1.5184 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8226 -2.2749 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 2.5153 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 -0.7853 1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 3.3760 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 2.5668 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -2.6002 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -3.0925 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 0.0848 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0001 -0.8826 -1.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 -0.9742 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -2.1349 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 -1.0559 2.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 3.4362 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9075 -0.2420 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 -1.7545 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -1.1896 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -0.4672 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 0.8687 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 1.1042 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 1.7296 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 0.9442 -2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 1.8991 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 1.3355 -2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 1.8313 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3724 3.4513 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -2.7347 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 -0.5571 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2976 -1.5509 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.3173 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6736 2.7578 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -3.2508 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 -4.1140 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 0.9413 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7883 -2.7655 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2184 -1.1800 3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 -0.1536 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -1.9068 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 7 28 2 0 0 0 0 8 30 2 0 0 0 0 9 19 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 18 2 0 0 0 0 14 21 1 0 0 0 0 14 23 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 26 1 0 0 0 0 20 45 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END $$$$