@MOLECULE 91617576 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.9110 -1.1599 -0.0482 O.3 1 noname -0.2860 2 N1 -2.1726 -2.7643 -0.6629 N.3 1 noname -0.3141 3 C1 -2.7050 -3.2030 -1.9519 C.3 1 noname 0.0011 4 C2 -1.3877 -1.5450 -0.8493 C.3 1 noname -0.0004 5 C3 -0.8304 -1.0860 0.4996 C.3 1 noname 0.0240 6 C4 -0.0466 0.1316 0.3135 C.2 1 noname -0.0291 7 C5 -3.5264 -4.4790 -1.7568 C.3 1 noname -0.0500 8 C6 -1.5480 -3.4832 -2.9130 C.3 1 noname -0.0500 9 C7 1.3141 0.0476 0.0427 C.2 1 noname -0.0071 10 C8 -0.6612 1.3749 0.4070 C.2 1 noname -0.0561 11 C9 2.0604 1.2069 -0.1346 C.2 1 noname -0.0346 12 C10 0.0850 2.5341 0.2298 C.2 1 noname -0.0751 13 C11 1.4458 2.4501 -0.0410 C.2 1 noname -0.0607 14 H1 -3.3412 -2.4213 -2.3672 H 1 noname 0.0459 15 H2 -2.0238 -0.7634 -1.2646 H 1 noname 0.0431 16 H3 -0.5634 -1.7447 -1.5340 H 1 noname 0.0431 17 H4 -1.6547 -0.8864 1.1843 H 1 noname 0.0330 18 H5 -0.1943 -1.8677 0.9149 H 1 noname 0.0330 19 H6 -2.9454 -2.5772 -0.0209 H 1 noname 0.1224 20 H7 -3.9234 -4.8060 -2.7178 H 1 noname 0.0246 21 H8 -1.9450 -3.8102 -3.8740 H 1 noname 0.0246 22 H9 -0.9629 -2.5741 -3.0520 H 1 noname 0.0246 23 H10 -0.9119 -4.2648 -2.4977 H 1 noname 0.0246 24 H11 -4.3507 -4.2794 -1.0721 H 1 noname 0.0246 25 H12 -2.8903 -5.2606 -1.3415 H 1 noname 0.0246 26 H13 -1.6597 1.4365 0.6057 H 1 noname 0.0626 27 H14 3.0589 1.1452 -0.3333 H 1 noname 0.0650 28 H15 -0.3659 3.4464 0.2985 H 1 noname 0.0622 29 H16 1.9934 3.3008 -0.1711 H 1 noname 0.0623 30 H17 2.8641 -1.0394 -0.2422 H 1 noname 0.2182 @BOND 1 1 9 1 2 1 30 1 3 2 3 1 4 2 4 1 5 2 19 1 6 3 7 1 7 3 8 1 8 3 14 1 9 4 5 1 10 4 15 1 11 4 16 1 12 5 6 1 13 5 17 1 14 5 18 1 15 6 9 1 16 6 10 2 17 7 20 1 18 7 24 1 19 7 25 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 11 2 24 10 12 1 25 10 26 1 26 11 13 1 27 11 27 1 28 12 13 2 29 12 28 1 30 13 29 1 @SUBSTRUCTURE 1 noname 1