BBJM89 -OEChem-04012113573D 53 53 0 0 0 0 0 0 0999 V2000 6.8757 -0.8076 1.1001 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0631 -1.2199 0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -2.3708 -0.4234 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 0.4022 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 0.8548 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 1.1815 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 0.0773 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 0.7247 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 0.4951 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 1.4811 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1377 -0.3716 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 1.0320 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4669 0.0732 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 1.7346 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6532 -0.8046 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 1.3099 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9826 -0.3414 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 -0.1691 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.1542 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 -2.1272 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.6654 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 0.5089 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 1.9172 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 0.7832 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 1.0731 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 2.2496 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 -0.9878 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 0.1712 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 0.8522 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -0.3484 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1674 1.5438 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 0.4441 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 2.5585 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 1.3098 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 -1.4205 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1984 -0.3111 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -0.0521 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.2181 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 0.0623 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6692 1.1113 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2119 1.5682 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1129 2.8172 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4543 -1.8391 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 -0.8101 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 1.5865 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 1.8620 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9287 -0.3539 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1993 0.6858 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7279 -0.3846 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1665 -1.0513 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9491 -0.8701 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1390 -1.1921 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 -2.8520 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 1 49 1 0 0 0 0 2 17 1 0 0 0 0 2 51 1 0 0 0 0 2 52 1 0 0 0 0 3 19 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 19 50 1 0 0 0 0 20 53 1 0 0 0 0 M END $$$$