BTI25M -OEChem-04022107082D 69 73 0 1 0 0 0 0 0999 V2000 11.6097 -0.6850 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 -4.0649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7747 -3.6045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9771 -2.7278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1975 0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0220 -1.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 3.4412 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4969 1.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8497 1.2118 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7619 1.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1879 2.6980 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 1.3300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 -0.0973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8497 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8007 0.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4188 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2098 2.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3323 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9008 3.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 3.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1232 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8758 -3.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1413 -1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9226 4.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0368 -2.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7037 -0.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1018 -0.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4173 0.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9296 1.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1476 1.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 1.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3971 -0.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3156 4.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0584 -3.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7077 -1.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5384 -2.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -0.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -1.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -0.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 16 1 1 6 0 0 0 1 22 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 7 20 2 0 0 0 0 8 35 2 0 0 0 0 9 14 1 0 0 0 0 10 14 2 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 20 1 0 0 0 0 26 13 1 1 0 0 0 13 51 1 0 0 0 0 14 23 1 0 0 0 0 15 38 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 1 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 24 30 1 0 0 0 0 24 52 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 29 1 0 0 0 0 26 35 1 0 0 0 0 26 53 1 0 0 0 0 27 33 1 0 0 0 0 27 54 1 0 0 0 0 28 34 1 0 0 0 0 28 55 1 0 0 0 0 29 37 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 36 1 0 0 0 0 31 59 1 0 0 0 0 33 36 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 41 66 1 0 0 0 0 42 44 1 0 0 0 0 42 67 1 0 0 0 0 43 44 2 0 0 0 0 43 68 1 0 0 0 0 44 69 1 0 0 0 0 M CHG 2 9 -1 14 1 M END $$$$