BNU51E -OEChem-04022118543D 54 56 0 1 0 0 0 0 0999 V2000 3.4645 4.4959 -0.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 1.8772 0.0257 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -2.8428 -0.0346 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5248 -0.4191 -0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 0.6122 0.0184 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -3.0826 -0.0279 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -0.6742 0.0108 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6305 0.1871 1.2568 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 3.1139 0.0447 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3681 4.2606 0.5850 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9765 3.4167 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -3.2064 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -1.5788 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 0.6250 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -1.7494 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 3.9949 1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 4.6833 -1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -0.5953 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -3.7111 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -4.0057 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 -3.9707 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 0.4807 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9991 0.0724 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -0.3902 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9427 -0.7585 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 -0.1804 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6264 -0.6546 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 3.0154 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 5.1838 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 3.5024 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 2.5849 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -2.2754 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 1.9161 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 3.1620 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 4.8696 2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 3.7785 2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 4.6652 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7354 5.5832 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 4.7680 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 -4.7853 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 -4.1953 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -3.4564 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 -4.9740 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 -3.3963 -2.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -4.1597 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -4.9376 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 5.2404 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -1.6032 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 1.1089 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 1.0964 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -0.4671 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 -1.1259 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4188 -0.0806 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6704 -0.9359 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 47 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 13 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 23 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 15 18 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$