BNAD38 -OEChem-04022105343D 57 60 0 0 0 0 0 0 0999 V2000 2.6714 1.8425 0.5462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -1.0244 1.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 0.1820 -0.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 1.0692 -1.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -2.7221 -2.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 3.4656 -0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -4.7036 -0.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7054 1.2904 0.1465 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.8576 -0.8696 -0.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1781 0.1591 0.0194 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7643 -0.0676 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.0008 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 1.2047 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 -1.2694 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5826 -0.4794 0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 0.5392 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5619 1.6955 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -2.4742 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -0.4181 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.6005 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 0.1219 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 3.0276 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.0434 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 2.9669 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 -3.5832 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 3.6108 0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -3.2817 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 -0.3249 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 3.6028 2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4346 -1.6393 3.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -0.1978 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 1.0498 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7759 -1.3271 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9925 1.1682 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1604 -1.2088 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7686 0.0388 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -0.1766 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 -0.8890 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.9174 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -0.8008 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 1.0227 -2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 4.5399 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7533 -4.0757 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 0.2483 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -1.3836 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 2.8961 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 4.5406 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 3.8048 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -2.4674 3.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.2888 3.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 -0.8262 3.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 1.6113 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -3.6551 -2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0125 1.9361 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3158 -2.3053 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4318 2.1560 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7331 -2.1100 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 17 1 0 0 0 0 4 52 1 0 0 0 0 5 18 1 0 0 0 0 5 53 1 0 0 0 0 6 24 2 0 0 0 0 7 25 2 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 22 26 2 0 0 0 0 22 29 1 0 0 0 0 23 27 2 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 31 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 54 1 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 M CHG 2 8 -1 10 1 M END $$$$