BIO61M -OEChem-04012120262D 68 71 0 1 0 0 0 0 0999 V2000 6.6533 -2.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9776 -0.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2378 1.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9699 1.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 -1.5781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3737 -0.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 -0.8797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1058 -0.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2398 -1.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7853 -1.9084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6770 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 -2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 -1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5077 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3737 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6417 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6417 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5077 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5174 -1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 -0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 -2.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5135 -0.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2455 -0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2398 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 -1.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 -0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 -2.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 -0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 -2.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -2.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8873 -0.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9062 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9843 0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5858 1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 -1.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9062 -1.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 -2.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -3.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 -1.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 1.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -0.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3877 -3.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9754 -0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3059 0.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -2.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6427 -0.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1058 0.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7767 -2.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 1.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4438 2.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 3.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 2.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0581 2.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 20 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 33 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 30 1 0 0 0 0 7 14 2 0 0 0 0 7 58 1 0 0 0 0 8 30 1 0 0 0 0 8 61 1 0 0 0 0 8 62 1 0 0 0 0 9 30 2 0 0 0 0 9 63 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 23 29 2 0 0 0 0 23 53 1 0 0 0 0 24 29 1 0 0 0 0 25 31 1 0 0 0 0 25 55 1 0 0 0 0 26 32 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 33 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 57 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 M END $$$$