@MOLECULE 57936651 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 4.3664 -0.5713 0.4222 O.3 1 noname -0.2138 2 O2 3.4933 0.9565 2.3155 O.2 1 noname -0.2953 3 O3 3.2526 -1.4219 -1.2751 O.2 1 noname -0.2493 4 N1 1.7744 0.8578 0.8017 N.3 1 noname -0.0596 5 C1 -0.0159 0.3098 -0.7288 C.3 1 noname -0.0232 6 C2 0.5086 1.3528 0.3170 C.3 1 noname 0.0209 7 C3 0.6164 -1.0074 -0.2372 C.3 1 noname -0.0231 8 C4 0.2947 0.6801 -2.2196 C.3 1 noname -0.0488 9 C5 1.8891 -0.5727 0.5573 C.3 1 noname 0.1033 10 C6 0.4309 2.8079 -0.2405 C.3 1 noname -0.0367 11 C7 1.4700 1.6737 -2.3601 C.3 1 noname -0.0529 12 C8 1.2601 2.9756 -1.5368 C.3 1 noname -0.0518 13 C9 2.7620 1.5569 1.5063 C.2 1 noname 0.0450 14 C10 3.1792 -0.8881 -0.1525 C.2 1 noname 0.1441 15 C11 3.2452 2.9409 1.3302 C.3 1 noname 0.0098 16 H1 -1.1027 0.2103 -0.6461 H 1 noname 0.0319 17 H2 -0.1780 1.3165 1.1682 H 1 noname 0.0475 18 H3 -0.0731 -1.5364 0.4330 H 1 noname 0.0291 19 H4 0.8174 -1.7005 -1.0563 H 1 noname 0.0291 20 H5 -0.5850 1.1473 -2.6726 H 1 noname 0.0270 21 H6 0.5162 -0.2006 -2.8091 H 1 noname 0.0270 22 H7 1.8889 -1.0864 1.5217 H 1 noname 0.0580 23 H8 -0.6241 2.9932 -0.5047 H 1 noname 0.0283 24 H9 0.6589 3.5706 0.5137 H 1 noname 0.0283 25 H10 1.6149 1.9178 -3.4104 H 1 noname 0.0267 26 H11 2.3817 1.1727 -2.0347 H 1 noname 0.0267 27 H12 0.8046 3.7294 -2.1731 H 1 noname 0.0267 28 H13 2.2351 3.3526 -1.2425 H 1 noname 0.0267 29 H14 2.6328 3.7181 1.8000 H 1 noname 0.0324 30 H15 3.3521 3.1558 0.2669 H 1 noname 0.0324 31 H16 4.2041 3.0161 1.8429 H 1 noname 0.0324 32 H17 5.2082 -0.7016 -0.0714 H 1 noname 0.2213 @BOND 1 1 14 1 2 1 32 1 3 2 13 2 4 3 14 2 5 4 6 1 6 4 9 1 7 4 13 1 8 5 6 1 9 5 7 1 10 5 8 1 11 5 16 1 12 6 10 1 13 6 17 1 14 7 9 1 15 7 18 1 16 7 19 1 17 8 11 1 18 8 20 1 19 8 21 1 20 9 14 1 21 9 22 1 22 10 12 1 23 10 23 1 24 10 24 1 25 11 12 1 26 11 25 1 27 11 26 1 28 12 27 1 29 12 28 1 30 13 15 1 31 15 29 1 32 15 30 1 33 15 31 1 @SUBSTRUCTURE 1 noname 1