@MOLECULE 91667650 32 35 1 SMALL USER_CHARGES @ATOM 1 C1 -0.0206 -0.0356 -0.2342 C.2 1 noname -0.0238 2 C2 1.2253 0.1035 0.3663 C.2 1 noname -0.0358 3 C3 -0.6339 1.0630 -0.8250 C.2 1 noname -0.0388 4 C4 -0.6531 -1.2733 -0.2438 C.2 1 noname -0.0388 5 C5 1.8578 1.3412 0.3760 C.2 1 noname -0.0370 6 C6 1.8387 -0.9951 0.9571 C.2 1 noname -0.0370 7 C7 -0.0014 2.3007 -0.8153 C.2 1 noname -0.0395 8 C8 -0.0397 -2.3719 0.3469 C.2 1 noname -0.0395 9 C9 1.2445 2.4398 -0.2148 C.2 1 noname -0.0476 10 C10 1.2061 -2.2328 0.9474 C.2 1 noname -0.0476 11 C11 -1.8798 0.9238 -1.4254 C.2 1 noname -0.0460 12 C12 -1.8990 -1.4124 -0.8443 C.2 1 noname -0.0460 13 C13 3.1037 1.4803 0.9764 C.2 1 noname -0.0457 14 C14 3.0845 -0.8560 1.5575 C.2 1 noname -0.0457 15 C15 -2.5123 -0.3139 -1.4351 C.2 1 noname -0.0527 16 C16 3.7171 0.3817 1.5672 C.2 1 noname -0.0529 17 C17 -0.6456 3.4546 -1.4358 C.3 1 noname 0.0023 18 C18 -0.7041 -3.6719 0.3368 C.3 1 noname 0.0023 19 H1 1.7087 3.3480 -0.2077 H 1 noname 0.0632 20 H2 1.6562 -3.0389 1.3809 H 1 noname 0.0632 21 H3 -2.3299 1.7300 -1.8589 H 1 noname 0.0629 22 H4 -2.3631 -2.3207 -0.8514 H 1 noname 0.0629 23 H5 3.5679 2.3886 0.9835 H 1 noname 0.0629 24 H6 3.5346 -1.6621 1.9911 H 1 noname 0.0629 25 H7 -3.4265 -0.4160 -1.8757 H 1 noname 0.0623 26 H8 4.6313 0.4838 2.0078 H 1 noname 0.0623 27 H9 -0.7996 4.2312 -0.6867 H 1 noname 0.0280 28 H10 -1.6077 3.1540 -1.8507 H 1 noname 0.0280 29 H11 -0.0104 3.8400 -2.2334 H 1 noname 0.0280 30 H12 -0.0781 -4.3958 -0.1849 H 1 noname 0.0280 31 H13 -1.6631 -3.5859 -0.1742 H 1 noname 0.0280 32 H14 -0.8672 -4.0046 1.3619 H 1 noname 0.0280 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 2 5 2 5 2 6 1 6 3 7 1 7 3 11 1 8 4 8 1 9 4 12 2 10 5 9 1 11 5 13 1 12 6 10 1 13 6 14 2 14 7 9 2 15 7 17 1 16 8 10 2 17 8 18 1 18 9 19 1 19 10 20 1 20 11 15 2 21 11 21 1 22 12 15 1 23 12 22 1 24 13 16 2 25 13 23 1 26 14 16 1 27 14 24 1 28 15 25 1 29 16 26 1 30 17 27 1 31 17 28 1 32 17 29 1 33 18 30 1 34 18 31 1 35 18 32 1 @SUBSTRUCTURE 1 noname 1