B48NHS -OEChem-04012112082D 82 83 0 1 0 0 0 0 0999 V2000 7.2828 -3.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 2.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9397 1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6208 4.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -3.9036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 0.1668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5385 2.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8118 3.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 -2.3648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6105 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -0.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7137 -3.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 -3.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 0.8713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3684 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9507 1.4713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9671 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3574 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9562 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3520 0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7696 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5549 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1482 3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5330 2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 3.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1208 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 3.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3809 4.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 -1.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -2.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -2.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9516 -0.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -3.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -3.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7383 1.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -4.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5394 0.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1975 0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6985 2.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 2.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 1.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7408 0.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2863 2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 -0.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4168 1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4052 -0.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2712 -0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1715 2.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 0.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 3.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 4.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 4.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 4.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 3.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 2.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4852 2.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 1.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5725 3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9705 4.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1893 4.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 2.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 2.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 20 2 0 0 0 0 3 25 2 0 0 0 0 4 32 1 0 0 0 0 4 38 1 0 0 0 0 5 31 2 0 0 0 0 6 32 2 0 0 0 0 7 11 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 50 1 0 0 0 0 15 9 1 1 0 0 0 9 20 1 0 0 0 0 9 51 1 0 0 0 0 21 10 1 1 0 0 0 10 31 1 0 0 0 0 10 59 1 0 0 0 0 11 35 2 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 24 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 19 25 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 22 28 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 29 2 0 0 0 0 24 58 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 2 0 0 0 0 28 66 1 0 0 0 0 29 32 1 0 0 0 0 29 67 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 74 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 M END $$$$