@MOLECULE 71306708 32 35 1 SMALL USER_CHARGES @ATOM 1 N1 -0.1227 0.8603 0.1840 N.3 1 noname -0.0204 2 N2 0.7049 1.1203 2.2753 N.2 1 noname -0.2555 3 N3 -1.1192 2.3763 1.7863 N.3 1 noname -0.1035 4 C1 0.7346 0.4322 -2.6919 C.3 1 noname 0.0455 5 C2 -0.6581 0.7530 -2.2637 C.2 1 noname -0.0474 6 C3 1.4965 -0.6700 -2.0555 C.2 1 noname -0.0362 7 C4 -1.0212 0.9906 -0.9014 C.2 1 noname -0.0222 8 C5 1.0423 0.1192 0.2908 C.2 1 noname -0.0843 9 C6 1.7046 -0.7513 -0.6514 C.2 1 noname -0.0319 10 C7 -0.2387 1.4625 1.4093 C.2 1 noname -0.0079 11 C8 -1.6036 0.9459 -3.3030 C.2 1 noname -0.0602 12 C9 -2.3699 1.4197 -0.6812 C.2 1 noname -0.0539 13 C10 1.5173 0.3138 1.6031 C.2 1 noname 0.0156 14 C11 2.1913 -1.5581 -2.9233 C.2 1 noname -0.0540 15 C12 2.6521 -1.7161 -0.1970 C.2 1 noname -0.0432 16 C13 -2.8811 1.4549 -3.0578 C.2 1 noname -0.0844 17 C14 -3.2594 1.7143 -1.7367 C.2 1 noname -0.0656 18 C15 3.1402 -2.4658 -2.4477 C.2 1 noname -0.0603 19 C16 3.3740 -2.5388 -1.0757 C.2 1 noname -0.0595 20 H1 0.7379 0.2679 -3.7717 H 1 noname 0.0366 21 H2 1.3187 1.3333 -2.5484 H 1 noname 0.0366 22 H3 -1.3772 0.7326 -4.2785 H 1 noname 0.0626 23 H4 2.3482 -0.0775 2.0450 H 1 noname 0.0861 24 H5 -2.7501 1.5074 0.2490 H 1 noname 0.0642 25 H6 2.0599 -1.5278 -3.9354 H 1 noname 0.0625 26 H7 2.8513 -1.8499 0.7934 H 1 noname 0.0629 27 H8 -3.5438 1.6015 -3.8412 H 1 noname 0.0622 28 H9 -4.1821 2.1291 -1.5731 H 1 noname 0.0623 29 H10 3.6629 -3.0554 -3.1011 H 1 noname 0.0622 30 H11 4.0680 -3.1970 -0.7199 H 1 noname 0.0622 31 H12 -1.6222 2.8463 1.1081 H 1 noname 0.1271 32 H13 -1.7307 1.9891 2.4321 H 1 noname 0.1271 @BOND 1 1 7 1 2 1 8 1 3 1 10 1 4 2 10 2 5 2 13 1 6 3 10 1 7 3 31 1 8 3 32 1 9 4 5 1 10 4 6 1 11 4 20 1 12 4 21 1 13 5 7 1 14 5 11 2 15 6 9 1 16 6 14 2 17 7 12 2 18 8 9 1 19 8 13 2 20 9 15 2 21 11 16 1 22 11 22 1 23 12 17 1 24 12 24 1 25 13 23 1 26 14 18 1 27 14 25 1 28 15 19 1 29 15 26 1 30 16 17 2 31 16 27 1 32 17 28 1 33 18 19 2 34 18 29 1 35 19 30 1 @SUBSTRUCTURE 1 noname 1