@MOLECULE 71209516 29 31 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2886 -3.1423 -2.9259 O.2 1 noname -0.2918 2 N1 0.0261 -0.5099 -0.5956 N.3 1 noname -0.0304 3 C1 0.8989 -0.5627 0.5306 C.3 1 noname -0.0535 4 C2 0.4759 0.6253 1.3983 C.3 1 noname -0.0317 5 C3 -0.5820 1.4174 0.6234 C.3 1 noname 0.0176 6 C4 -0.8004 0.5269 -0.5035 C.2 1 noname -0.0832 7 C5 -0.2494 -1.2235 -1.7261 C.2 1 noname -0.0741 8 C6 -1.7025 0.5053 -1.5326 C.2 1 noname -0.0416 9 C7 -1.3723 -0.6042 -2.2932 C.2 1 noname -0.0132 10 C8 0.4324 -2.3123 -2.3424 C.2 1 noname 0.0586 11 C9 1.8581 -2.4659 -2.3489 C.2 1 noname -0.0156 12 C10 2.5173 -3.6769 -2.6913 C.2 1 noname -0.0174 13 C11 2.6941 -1.3949 -1.9335 C.2 1 noname -0.0174 14 C12 3.9053 -3.8306 -2.4820 C.2 1 noname -0.0471 15 C13 4.0007 -1.6286 -1.5022 C.2 1 noname -0.0471 16 C14 4.6239 -2.8346 -1.8114 C.2 1 noname -0.0410 17 H1 0.7730 -1.4588 1.1064 H 1 noname 0.0472 18 H2 1.9559 -0.4270 0.3050 H 1 noname 0.0472 19 H3 0.0454 0.2594 2.3304 H 1 noname 0.0286 20 H4 1.3264 1.2483 1.6751 H 1 noname 0.0286 21 H5 -1.4940 1.4827 1.2169 H 1 noname 0.0329 22 H6 -0.2783 2.4011 0.2653 H 1 noname 0.0329 23 H7 -2.4737 1.1547 -1.6977 H 1 noname 0.0639 24 H8 -1.8641 -0.8963 -3.1316 H 1 noname 0.0644 25 H9 2.0113 -4.4736 -3.0884 H 1 noname 0.0630 26 H10 2.3567 -0.4396 -1.8734 H 1 noname 0.0630 27 H11 4.3948 -4.6679 -2.8037 H 1 noname 0.0622 28 H12 4.4722 -0.9181 -0.9404 H 1 noname 0.0622 29 H13 5.6039 -2.9669 -1.5631 H 1 noname 0.0622 @BOND 1 1 10 2 2 2 3 1 3 2 6 1 4 2 7 1 5 3 4 1 6 3 17 1 7 3 18 1 8 4 5 1 9 4 19 1 10 4 20 1 11 5 6 1 12 5 21 1 13 5 22 1 14 6 8 2 15 7 9 2 16 7 10 1 17 8 9 1 18 8 23 1 19 9 24 1 20 10 11 1 21 11 12 2 22 11 13 1 23 12 14 1 24 12 25 1 25 13 15 2 26 13 26 1 27 14 16 2 28 14 27 1 29 15 16 1 30 15 28 1 31 16 29 1 @SUBSTRUCTURE 1 noname 1