@MOLECULE 90274764 31 31 1 SMALL USER_CHARGES @ATOM 1 N1 -2.8726 -1.6479 0.2972 N.3 1 noname -0.2923 2 C1 -1.9745 -0.5863 0.7487 C.3 1 noname 0.0114 3 C2 -0.9145 -1.1770 1.6806 C.3 1 noname 0.0147 4 C3 -1.2906 0.0522 -0.4619 C.3 1 noname -0.0492 5 C4 -0.0177 -0.1168 2.1314 C.2 1 noname -0.0568 6 C5 -3.5262 -2.2581 1.4539 C.3 1 noname 0.0599 7 C6 -3.8855 -1.0835 -0.5933 C.3 1 noname -0.0121 8 C7 -0.3077 0.5924 3.2911 C.2 1 noname -0.0634 9 C8 1.1262 0.1833 1.4009 C.2 1 noname -0.0634 10 C9 0.5462 1.6018 3.7204 C.2 1 noname -0.0629 11 C10 1.9800 1.1927 1.8301 C.2 1 noname -0.0629 12 C11 1.6900 1.9019 2.9899 C.2 1 noname -0.0681 13 C12 -4.3628 -3.2471 1.0333 C.1 1 noname -0.1005 14 C13 -5.0963 -4.1141 0.6646 C.1 1 noname -0.1091 15 H1 -2.5474 0.1711 1.2837 H 1 noname 0.0467 16 H2 -1.4018 -1.6319 2.5430 H 1 noname 0.0332 17 H3 -0.3417 -1.9344 1.1455 H 1 noname 0.0332 18 H4 -0.6210 0.8437 -0.1253 H 1 noname 0.0246 19 H5 -2.0457 0.4730 -1.1258 H 1 noname 0.0246 20 H6 -0.7178 -0.7052 -0.9970 H 1 noname 0.0246 21 H7 -4.0990 -1.5007 1.9890 H 1 noname 0.0570 22 H8 -2.7710 -2.6789 2.1178 H 1 noname 0.0570 23 H9 -4.5551 -1.8750 -0.9299 H 1 noname 0.0394 24 H10 -4.4583 -0.3261 -0.0582 H 1 noname 0.0394 25 H11 -3.3982 -0.6286 -1.4557 H 1 noname 0.0394 26 H12 -1.1471 0.3722 3.8272 H 1 noname 0.0625 27 H13 1.3390 -0.3371 0.5499 H 1 noname 0.0625 28 H14 0.3334 2.1223 4.5714 H 1 noname 0.0622 29 H15 2.8194 1.4129 1.2941 H 1 noname 0.0622 30 H16 2.3166 2.6426 3.3048 H 1 noname 0.0622 31 H17 -5.6627 -4.7837 0.3799 H 1 noname 0.1238 @BOND 1 2 1 1 2 1 6 1 3 1 7 1 4 2 3 1 5 2 4 1 6 2 15 1 7 3 5 1 8 3 16 1 9 3 17 1 10 4 18 1 11 4 19 1 12 4 20 1 13 5 8 2 14 5 9 1 15 6 13 1 16 6 21 1 17 6 22 1 18 7 23 1 19 7 24 1 20 7 25 1 21 8 10 1 22 8 26 1 23 9 11 2 24 9 27 1 25 10 12 2 26 10 28 1 27 11 12 1 28 11 29 1 29 12 30 1 30 13 14 3 31 14 31 1 @SUBSTRUCTURE 1 noname 1