@MOLECULE 76968248 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.9465 -1.0266 0.5074 O.3 1 noname -0.2780 2 O2 -0.4773 3.7561 -0.6244 O.3 1 noname -0.2704 3 N1 -2.1613 -2.6309 0.9322 N.3 1 noname -0.3301 4 N2 2.7089 4.6322 0.2490 N.1 1 noname -0.1810 5 C1 0.0181 0.1789 -0.1701 C.2 1 noname -0.0078 6 C2 -0.7345 -1.0667 -0.2873 C.3 1 noname 0.0272 7 C3 1.3494 0.1516 0.2286 C.2 1 noname -0.0055 8 C4 -1.4076 -1.3836 1.0496 C.3 1 noname -0.0035 9 C5 -0.5967 1.3920 -0.4572 C.2 1 noname -0.0128 10 C6 0.1198 2.5779 -0.3456 C.2 1 noname 0.0257 11 C7 2.0659 1.3374 0.3402 C.2 1 noname 0.0179 12 C8 1.4511 2.5506 0.0531 C.2 1 noname 0.0203 13 C9 2.5366 -1.5494 -0.6737 C.3 1 noname 0.0423 14 C10 2.1171 3.6528 0.1568 C.1 1 noname 0.0724 15 C11 -1.0674 4.2789 0.5567 C.3 1 noname 0.0423 16 H1 -1.4951 -0.9602 -1.0608 H 1 noname 0.0330 17 H2 -0.0563 -1.8773 -0.5538 H 1 noname 0.0330 18 H3 -2.0859 -0.5730 1.3161 H 1 noname 0.0429 19 H4 -0.6470 -1.4901 1.8231 H 1 noname 0.0429 20 H5 -1.5737 1.4121 -0.7497 H 1 noname 0.0654 21 H6 3.0429 1.3174 0.6327 H 1 noname 0.0665 22 H7 -2.6109 -2.8426 1.8253 H 1 noname 0.1184 23 H8 -2.8744 -2.5310 0.2070 H 1 noname 0.1184 24 H9 3.0187 -2.5007 -0.4486 H 1 noname 0.0535 25 H10 1.7650 -1.7027 -1.4282 H 1 noname 0.0535 26 H11 3.2790 -0.8461 -1.0509 H 1 noname 0.0535 27 H12 -1.5495 5.2302 0.3316 H 1 noname 0.0535 28 H13 -1.8098 3.5756 0.9339 H 1 noname 0.0535 29 H14 -0.2958 4.4322 1.3112 H 1 noname 0.0535 @BOND 1 1 7 1 2 1 13 1 3 2 10 1 4 2 15 1 5 3 8 1 6 3 22 1 7 3 23 1 8 4 14 3 9 5 6 1 10 5 7 1 11 5 9 2 12 6 8 1 13 6 16 1 14 6 17 1 15 7 11 2 16 8 18 1 17 8 19 1 18 9 10 1 19 9 20 1 20 10 12 2 21 11 12 1 22 11 21 1 23 12 14 1 24 13 24 1 25 13 25 1 26 13 26 1 27 15 27 1 28 15 28 1 29 15 29 1 @SUBSTRUCTURE 1 noname 1