BCM42B -OEChem-04022101553D 90 94 0 1 0 0 0 0 0999 V2000 0.6121 -4.8785 2.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2672 3.6108 -1.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2776 -2.3188 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -0.6903 -1.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 0.5726 -2.6764 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -1.3314 1.7394 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6002 -2.7556 1.6965 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0596 -0.2576 1.4513 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6126 -0.4809 0.0102 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1249 -3.0102 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -3.5589 2.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2513 -1.3023 3.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 1.1889 1.6435 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1368 -1.9340 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 -2.7322 3.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 -3.0230 2.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 0.6054 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 2.1389 1.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 1.5997 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 1.8446 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 2.7258 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 0.4326 -1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 2.8400 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 3.1867 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 1.4336 -1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 2.6355 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 4.2673 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 4.6713 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 3.5330 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2248 2.8784 1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2409 1.7888 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6506 0.6364 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 -0.0727 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 -1.1679 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -1.4298 -2.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 -0.8115 -2.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -2.7975 -2.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 -1.5611 -3.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 -3.5472 -3.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6158 -2.9290 -3.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 -1.2678 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 -0.3858 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -0.3709 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 -3.0095 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.0019 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 -3.6167 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 -0.5626 3.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 -1.0632 3.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 1.2818 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -2.0559 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 -2.1307 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -3.1389 4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 -2.7397 3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -2.8757 3.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -2.3807 2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -4.0574 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 2.0518 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 3.1798 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 1.9091 -0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 0.7602 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2294 -5.2706 2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 2.3887 2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5904 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 -0.4827 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 3.7834 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 3.5619 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 2.3078 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 1.2663 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 5.1528 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 3.9310 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 5.0529 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1435 5.4999 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 4.3756 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 2.7801 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 3.9398 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7378 3.6531 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 2.4625 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0762 2.2304 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6593 1.3876 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4434 -0.1045 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 0.9916 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7568 -0.5307 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 0.6367 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 0.3013 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0662 -3.3560 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -1.0924 -4.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 -4.6126 -3.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 -3.5128 -4.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 0.9933 -3.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 1.1489 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 61 1 0 0 0 0 2 26 1 0 0 0 0 2 73 1 0 0 0 0 3 34 2 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 84 1 0 0 0 0 5 36 1 0 0 0 0 5 89 1 0 0 0 0 5 90 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 41 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 42 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 21 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 25 2 0 0 0 0 22 64 1 0 0 0 0 23 26 2 0 0 0 0 23 65 1 0 0 0 0 24 27 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 32 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 34 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 37 39 1 0 0 0 0 37 85 1 0 0 0 0 38 40 1 0 0 0 0 38 86 1 0 0 0 0 39 40 2 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 M END $$$$