@MOLECULE 71586838 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8153 3.4033 0.4402 O.2 1 noname -0.2603 2 N1 1.4328 0.0988 -0.0528 N.3 1 noname 0.0661 3 N2 1.2411 2.4346 0.2844 N.2 1 noname -0.1682 4 C1 2.0462 1.3220 0.1181 C.2 1 noname 0.0216 5 C2 0.0524 -0.0290 -0.0601 C.2 1 noname 0.0078 6 C3 3.5015 1.4393 0.1232 C.3 1 noname 0.0153 7 C4 -0.7990 1.1079 0.1101 C.2 1 noname -0.0021 8 C5 3.9757 1.6742 -1.2375 C.2 1 noname -0.0524 9 C6 2.2300 -1.0515 -0.2245 C.3 1 noname -0.0373 10 C7 -0.5152 -1.2856 -0.2362 C.2 1 noname -0.0384 11 C8 -0.1396 2.3631 0.2852 C.2 1 noname 0.1095 12 C9 -2.1098 1.0699 -0.3508 C.2 1 noname -0.0065 13 C10 -1.8978 -1.4286 -0.2456 C.2 1 noname -0.0343 14 C11 5.3358 1.8201 -1.4841 C.2 1 noname -0.0556 15 C12 3.0669 1.7520 -2.2864 C.2 1 noname -0.0556 16 C13 -2.7050 -0.2345 -0.4506 C.2 1 noname -0.0504 17 C14 5.7872 2.0438 -2.7796 C.2 1 noname -0.0601 18 C15 3.5183 1.9756 -3.5819 C.2 1 noname -0.0601 19 C16 4.8785 2.1215 -3.8285 C.2 1 noname -0.0615 20 H1 3.7965 2.2734 0.7599 H 1 noname 0.0382 21 H2 3.9390 0.5174 0.5063 H 1 noname 0.0382 22 H3 2.4272 -1.2017 -1.2860 H 1 noname 0.0280 23 H4 1.7055 -1.9199 0.1740 H 1 noname 0.0280 24 H5 3.1735 -0.9220 0.3056 H 1 noname 0.0280 25 H6 0.0829 -2.1027 -0.3584 H 1 noname 0.0629 26 H7 -2.6189 1.9170 -0.6032 H 1 noname 0.0631 27 H8 -2.3331 -2.3415 -0.1131 H 1 noname 0.0622 28 H9 6.0027 1.7631 -0.7143 H 1 noname 0.0625 29 H10 2.0688 1.6449 -2.1055 H 1 noname 0.0625 30 H11 -3.6980 -0.3241 -0.6662 H 1 noname 0.0622 31 H12 6.7853 2.1509 -2.9605 H 1 noname 0.0622 32 H13 2.8515 2.0327 -4.3516 H 1 noname 0.0622 33 H14 5.2098 2.2856 -4.7791 H 1 noname 0.0622 @BOND 1 1 11 2 2 2 4 1 3 2 5 1 4 2 9 1 5 3 4 2 6 3 11 1 7 4 6 1 8 5 7 1 9 5 10 2 10 6 8 1 11 6 20 1 12 6 21 1 13 7 11 1 14 7 12 2 15 8 14 2 16 8 15 1 17 9 22 1 18 9 23 1 19 9 24 1 20 10 13 1 21 10 25 1 22 12 16 1 23 12 26 1 24 13 16 2 25 13 27 1 26 14 17 1 27 14 28 1 28 15 18 2 29 15 29 1 30 16 30 1 31 17 19 2 32 17 31 1 33 18 19 1 34 18 32 1 35 19 33 1 @SUBSTRUCTURE 1 noname 1