@MOLECULE 57483053 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 3.0903 -1.3224 -0.0871 O.2 1 noname 0.0000 2 N1 -1.9990 3.5948 0.1951 N.3 1 noname 0.0000 3 N2 1.3996 0.1480 0.0254 N.3 1 noname 0.0000 4 C1 -1.7381 2.1614 0.3159 C.3 1 noname 0.0000 5 C2 -0.2473 1.8943 0.0989 C.3 1 noname 0.0000 6 C3 -3.4235 3.8501 0.4025 C.3 1 noname 0.0000 7 C4 -1.6116 4.0499 -1.1392 C.3 1 noname 0.0000 8 C5 -1.2228 4.3180 1.2011 C.3 1 noname 0.0000 9 C6 0.0258 0.3942 0.2254 C.3 1 noname 0.0000 10 C7 1.8724 -1.1042 0.0903 C.2 1 noname 0.0000 11 C8 0.9648 -2.2136 0.3681 C.3 1 noname 0.0000 12 H1 -2.3168 1.6222 -0.4341 H 1 noname 0.0000 13 H2 -2.0269 1.8221 1.3107 H 1 noname 0.0000 14 H3 0.0416 2.2335 -0.8959 H 1 noname 0.0000 15 H4 0.3314 2.4334 0.8489 H 1 noname 0.0000 16 H5 -1.4173 5.3867 1.1110 H 1 noname 0.0000 17 H6 -1.5116 3.9787 2.1958 H 1 noname 0.0000 18 H7 -0.1607 4.1277 1.0464 H 1 noname 0.0000 19 H8 -1.8061 5.1186 -1.2293 H 1 noname 0.0000 20 H9 -2.1902 3.5107 -1.8892 H 1 noname 0.0000 21 H10 -0.5495 3.8596 -1.2938 H 1 noname 0.0000 22 H11 -3.6180 4.9188 0.3124 H 1 noname 0.0000 23 H12 -4.0022 3.3109 -0.3475 H 1 noname 0.0000 24 H13 -3.7124 3.5108 1.3973 H 1 noname 0.0000 25 H14 -0.5529 -0.1450 -0.5246 H 1 noname 0.0000 26 H15 -0.2631 0.0549 1.2202 H 1 noname 0.0000 27 H16 2.0026 0.8851 -0.1592 H 1 noname 0.0000 28 H17 0.9878 -2.9186 -0.4628 H 1 noname 0.0000 29 H18 -0.0484 -1.8317 0.4927 H 1 noname 0.0000 30 H19 1.2776 -2.7187 1.2819 H 1 noname 0.0000 @BOND 1 1 10 2 2 2 4 1 3 2 6 1 4 2 7 1 5 2 8 1 6 3 9 1 7 3 10 1 8 3 27 1 9 4 5 1 10 4 12 1 11 4 13 1 12 5 9 1 13 5 14 1 14 5 15 1 15 6 22 1 16 6 23 1 17 6 24 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 16 1 22 8 17 1 23 8 18 1 24 9 25 1 25 9 26 1 26 10 11 1 27 11 28 1 28 11 29 1 29 11 30 1 @SUBSTRUCTURE 1 noname 1