BKBP72 -OEChem-04022115143D 47 50 0 1 0 0 0 0 0999 V2000 -2.3810 1.0877 1.7447 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 1.6624 1.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 4.3262 -0.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 2.5462 -1.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1515 -0.4859 -2.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 -2.5623 -1.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 0.0831 0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 -1.6221 1.0739 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -2.1435 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 0.3821 -0.0822 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 -1.7655 -0.2688 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 -3.8550 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 2.5682 0.6208 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3286 3.1818 -0.5891 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2810 2.0786 -1.0052 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7257 1.5195 0.3424 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3823 -0.2016 0.9578 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6113 1.7743 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3919 0.3447 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 -0.6246 0.0461 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2542 -0.9540 1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -0.3588 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 -1.0253 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 -1.3526 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 -1.7417 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 -2.4495 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6512 -0.4122 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 3.3348 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 3.5007 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 1.3138 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 2.0721 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 -0.9104 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 0.9446 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 2.4182 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 0.4072 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7392 1.3469 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4913 -0.1076 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -1.6841 2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 -0.2870 2.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7573 -2.4133 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 4.9933 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 2.9808 -2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 -0.9612 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -0.9451 -3.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.1026 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 -4.3464 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -4.3680 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 41 1 0 0 0 0 4 15 1 0 0 0 0 4 42 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 6 24 2 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 23 2 0 0 0 0 9 25 1 0 0 0 0 10 22 2 0 0 0 0 10 27 1 0 0 0 0 11 26 1 0 0 0 0 11 27 2 0 0 0 0 12 26 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 27 45 1 0 0 0 0 M END $$$$