@MOLECULE DB01465 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 1.5577 1.1362 -1.5576 O.3 1 noname -0.2793 2 C1 1.7465 1.4639 -0.2617 C.2 1 noname -0.0168 3 C2 0.1758 0.9080 -1.7917 C.3 1 noname 0.0423 4 C3 1.9896 0.4692 0.6783 C.2 1 noname -0.0165 5 C4 1.6977 2.7959 0.1326 C.2 1 noname -0.0221 6 C5 2.1840 0.8066 2.0127 C.2 1 noname -0.0242 7 C6 2.0409 -0.9298 0.2642 C.3 1 noname 0.0280 8 C7 1.8921 3.1332 1.4670 C.2 1 noname -0.0288 9 C8 2.1353 2.1386 2.4070 C.2 1 noname -0.0136 10 C9 3.4763 -1.2964 -0.1179 C.3 1 noname 0.0053 11 O2 2.3241 2.4662 3.7030 O.3 1 noname -0.2794 12 N1 3.5276 -2.6974 -0.5327 N.3 1 noname -0.3276 13 C10 3.9402 -0.4055 -1.2721 C.3 1 noname -0.0497 14 C11 3.7059 2.6945 3.9370 C.3 1 noname 0.0423 15 H1 -0.3449 0.8220 -0.8380 H 1 noname 0.0535 16 H2 -0.2392 1.7414 -2.3584 H 1 noname 0.0535 17 H3 0.0509 -0.0147 -2.3584 H 1 noname 0.0535 18 H4 1.5071 3.5759 -0.6045 H 1 noname 0.0651 19 H5 2.3747 0.0266 2.7498 H 1 noname 0.0653 20 H6 1.7756 -1.5134 1.1458 H 1 noname 0.0332 21 H7 1.4325 -0.9979 -0.6377 H 1 noname 0.0332 22 H8 1.8539 4.1778 1.7762 H 1 noname 0.0651 23 H9 4.1412 -1.1927 0.7395 H 1 noname 0.0462 24 H10 2.6712 -3.2133 -0.6759 H 1 noname 0.1186 25 H11 4.4194 -3.1493 -0.6759 H 1 noname 0.1186 26 H12 4.2735 -1.0295 -2.1014 H 1 noname 0.0246 27 H13 3.1130 0.2238 -1.6005 H 1 noname 0.0246 28 H14 4.7645 0.2238 -0.9367 H 1 noname 0.0246 29 H15 3.8924 2.7253 5.0105 H 1 noname 0.0535 30 H16 4.2881 1.8886 3.4901 H 1 noname 0.0535 31 H17 3.9980 3.6448 3.4901 H 1 noname 0.0535 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 4 6 1 6 4 7 1 7 5 8 2 8 6 9 2 9 7 10 1 10 8 9 1 11 9 11 1 12 10 12 1 13 10 13 1 14 11 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 5 18 1 19 6 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 10 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 14 31 1 @SUBSTRUCTURE 1 noname 1