@MOLECULE 91864453 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3464 -1.7186 -0.3938 O.2 1 noname -0.2963 2 N1 2.6463 -4.5623 -0.7944 N.3 1 noname -0.3080 3 N2 0.6520 -1.8168 0.6210 N.3 1 noname -0.0771 4 C1 2.3603 -3.2008 -0.3452 C.3 1 noname 0.0106 5 C2 0.9279 -3.1299 0.1878 C.3 1 noname 0.0158 6 C3 4.0151 -4.6300 -1.3037 C.3 1 noname -0.0136 7 C4 1.7122 -4.9313 -1.8569 C.3 1 noname -0.0136 8 C5 -0.3458 -1.1214 0.0585 C.2 1 noname 0.0112 9 C6 -0.2680 0.2641 -0.0221 C.2 1 noname -0.0117 10 C7 0.8447 0.9282 0.4809 C.2 1 noname -0.0185 11 C8 -1.3030 0.9855 -0.6056 C.2 1 noname -0.0185 12 C9 0.9224 2.3137 0.4003 C.2 1 noname -0.0466 13 C10 -1.2253 2.3710 -0.6861 C.2 1 noname -0.0466 14 C11 -0.1126 3.0351 -0.1832 C.2 1 noname -0.0449 15 H1 2.4711 -2.5112 -1.1821 H 1 noname 0.0443 16 H2 3.0567 -2.9257 0.4469 H 1 noname 0.0443 17 H3 0.2314 -3.4050 -0.6043 H 1 noname 0.0446 18 H4 0.8170 -3.8195 1.0246 H 1 noname 0.0446 19 H5 1.1845 -1.4169 1.3263 H 1 noname 0.1313 20 H6 4.2283 -5.6451 -1.6387 H 1 noname 0.0394 21 H7 4.1259 -3.9405 -2.1406 H 1 noname 0.0394 22 H8 1.9255 -5.9464 -2.1918 H 1 noname 0.0394 23 H9 0.6917 -4.8808 -1.4772 H 1 noname 0.0394 24 H10 1.8230 -4.2417 -2.6938 H 1 noname 0.0394 25 H11 4.7115 -4.3550 -0.5116 H 1 noname 0.0394 26 H12 1.6042 0.3989 0.9091 H 1 noname 0.0630 27 H13 -2.1195 0.4982 -0.9747 H 1 noname 0.0630 28 H14 1.7389 2.8010 0.7694 H 1 noname 0.0622 29 H15 -1.9848 2.9004 -1.1143 H 1 noname 0.0622 30 H16 -0.0556 4.0518 -0.2423 H 1 noname 0.0622 @BOND 1 1 8 2 2 2 4 1 3 2 6 1 4 2 7 1 5 3 5 1 6 3 8 1 7 3 19 1 8 4 5 1 9 4 15 1 10 4 16 1 11 5 17 1 12 5 18 1 13 6 20 1 14 6 21 1 15 6 25 1 16 7 22 1 17 7 23 1 18 7 24 1 19 8 9 1 20 9 10 2 21 9 11 1 22 10 12 1 23 10 26 1 24 11 13 2 25 11 27 1 26 12 14 2 27 12 28 1 28 13 14 1 29 13 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1