@MOLECULE 92460930 33 34 1 SMALL USER_CHARGES @ATOM 1 N1 -1.9148 -5.5822 0.0361 N.3 1 noname -0.3276 2 C1 2.3311 -1.5824 -0.6389 C.2 1 noname -0.0615 3 C2 3.7895 -1.7630 -0.8691 C.3 1 noname 0.0057 4 C3 4.6012 -0.4620 -1.1427 C.3 1 noname -0.0489 5 C4 3.8465 0.5884 -2.0053 C.3 1 noname -0.0489 6 C5 2.3620 0.8202 -1.6005 C.3 1 noname 0.0046 7 C6 1.6716 -0.3404 -0.9823 C.2 1 noname -0.0667 8 C7 0.1849 -2.5091 0.1166 C.2 1 noname -0.0652 9 C8 1.5916 -2.6740 -0.0983 C.2 1 noname -0.0674 10 C9 -0.5980 -3.6187 0.6527 C.3 1 noname 0.0133 11 C10 0.2799 -0.1807 -0.7325 C.2 1 noname -0.0669 12 C11 -0.4610 -1.2712 -0.1876 C.2 1 noname -0.0717 13 C12 -1.1308 -4.4711 -0.5007 C.3 1 noname 0.0052 14 C13 -2.0172 -3.6108 -1.4035 C.3 1 noname -0.0497 15 H1 3.9438 -2.4664 -1.6873 H 1 noname 0.0316 16 H2 4.2174 -2.3096 -0.0287 H 1 noname 0.0316 17 H3 4.8946 -0.0106 -0.1949 H 1 noname 0.0270 18 H4 5.5472 -0.7156 -1.6211 H 1 noname 0.0270 19 H5 3.8959 0.2995 -3.0552 H 1 noname 0.0270 20 H6 4.3824 1.5369 -1.9690 H 1 noname 0.0270 21 H7 1.7971 1.1586 -2.4692 H 1 noname 0.0316 22 H8 2.2910 1.6287 -0.8729 H 1 noname 0.0316 23 H9 2.0539 -3.5539 0.1307 H 1 noname 0.0628 24 H10 -1.4344 -3.2269 1.2316 H 1 noname 0.0331 25 H11 0.0335 -4.2316 1.2959 H 1 noname 0.0331 26 H12 -0.1830 0.7040 -0.9409 H 1 noname 0.0625 27 H13 -0.2944 -4.8628 -1.0795 H 1 noname 0.0462 28 H14 -1.4605 -1.1663 -0.0135 H 1 noname 0.0625 29 H15 -1.4327 -2.7824 -1.8037 H 1 noname 0.0246 30 H16 -2.8537 -3.2190 -0.8247 H 1 noname 0.0246 31 H17 -2.3968 -4.2180 -2.2252 H 1 noname 0.0246 32 H18 -2.2707 -6.1516 -0.7343 H 1 noname 0.1186 33 H19 -2.6990 -5.2149 0.5789 H 1 noname 0.1186 @BOND 1 13 1 1 2 1 32 1 3 1 33 1 4 2 3 1 5 2 7 2 6 2 9 1 7 3 4 1 8 3 15 1 9 3 16 1 10 4 5 1 11 4 17 1 12 4 18 1 13 5 6 1 14 5 19 1 15 5 20 1 16 6 7 1 17 6 21 1 18 6 22 1 19 7 11 1 20 8 9 2 21 8 10 1 22 8 12 1 23 9 23 1 24 10 13 1 25 10 24 1 26 10 25 1 27 11 12 2 28 11 26 1 29 12 28 1 30 13 14 1 31 13 27 1 32 14 29 1 33 14 30 1 34 14 31 1 @SUBSTRUCTURE 1 noname 1