BNI1D2 -OEChem-04042103043D 55 58 0 1 0 0 0 0 0999 V2000 -5.1987 -2.2764 0.8299 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 4.3069 1.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 1.9561 -3.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2079 -0.3749 0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 1.5976 0.8497 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1148 1.7602 -1.1634 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 0.7882 -1.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 -0.0543 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 -1.3467 -0.2481 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9956 -1.4013 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 -2.6314 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 0.3421 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8628 -1.0811 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 1.3143 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 1.7644 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.6023 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 1.9884 2.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 0.5232 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2748 -0.6336 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 1.5204 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 -1.7692 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 3.2389 2.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 0.5597 -1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 -0.6882 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -1.7146 -2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -0.5569 -2.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 -2.9259 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -1.8458 2.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 -2.9625 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 0.6457 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 0.4348 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 -1.8067 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3008 -1.0031 2.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 -1.7183 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 -3.3686 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -3.1097 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 -0.6707 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3976 -2.0157 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0615 -0.3825 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2404 2.0012 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 2.6438 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 0.2307 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 2.1981 2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 1.1755 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 2.3399 -1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 3.5287 3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 3.1046 2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 1.4564 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 0.1513 2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.5750 -2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -0.5255 -3.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 -3.8105 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 -1.8749 3.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -3.8632 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 5.0909 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 22 1 0 0 0 0 2 55 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$