BU6KL3 -OEChem-04022115413D 40 43 0 0 0 0 0 0 0999 V2000 1.7877 2.5260 0.6431 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7715 1.9770 -0.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 0.3504 -0.6156 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 -0.7034 1.5191 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 -1.5482 0.3236 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -1.4607 -1.3204 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9531 -2.7073 -0.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 0.0502 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -0.1026 -1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 0.5128 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2647 -0.4246 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.9573 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.4726 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 0.8805 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6351 -0.2604 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 0.6876 -2.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -0.8131 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 2.6141 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4611 -1.0698 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 0.3804 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 0.8527 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 1.2827 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0144 -1.5274 2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 -1.3207 2.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 -2.6058 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -1.1388 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 0.0651 -2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -0.5778 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 1.0629 -3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 3.4985 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -1.2332 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4943 0.5224 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 1.3494 -2.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6551 0.6119 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 0.8852 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 2.2356 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 -2.0279 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 -1.3568 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8524 -1.6566 3.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9466 -3.3909 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 15 1 0 0 0 0 4 24 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 17 2 0 0 0 0 6 25 1 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 18 30 1 0 0 0 0 19 23 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$