@MOLECULE 91667971 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.6503 3.4324 0.0530 O.2 1 noname -0.2815 2 O2 2.0571 -1.2078 0.0262 O.2 1 noname -0.2829 3 O3 -2.1245 1.0743 -0.1728 O.2 1 noname -0.2787 4 N1 -0.0120 1.9884 -0.8692 N.3 1 noname 0.0892 5 N2 -0.1769 -0.3334 0.0261 N.3 1 noname 0.0848 6 C1 1.8402 1.1132 0.7788 C.3 1 noname 0.1238 7 C2 3.3582 1.1613 0.5938 C.3 1 noname -0.0243 8 C3 1.4980 1.3101 2.2569 C.3 1 noname -0.0126 9 C4 1.1847 2.2744 -0.0171 C.2 1 noname 0.0969 10 C5 1.2978 -0.2408 0.2516 C.2 1 noname 0.0932 11 C6 3.6983 0.9642 -0.8848 C.3 1 noname -0.0613 12 C7 4.0080 0.0489 1.4192 C.3 1 noname -0.0613 13 C8 -0.8926 0.9262 -0.3244 C.2 1 noname 0.0412 14 C9 0.0790 1.2648 2.4279 C.2 1 noname -0.0946 15 C10 -0.2776 2.6653 -2.0772 C.3 1 noname 0.0035 16 C11 -0.4501 1.4139 3.6390 C.2 1 noname -0.0985 17 H1 3.7344 2.1284 0.9274 H 1 noname 0.0313 18 H2 1.8736 2.2772 2.5911 H 1 noname 0.0325 19 H3 1.9603 0.5177 2.8456 H 1 noname 0.0325 20 H4 4.7798 0.9985 -1.0166 H 1 noname 0.0233 21 H5 3.2354 1.7567 -1.4729 H 1 noname 0.0233 22 H6 3.3221 -0.0029 -1.2184 H 1 noname 0.0233 23 H7 5.0895 0.0832 1.2875 H 1 noname 0.0233 24 H8 3.6318 -0.9182 1.0856 H 1 noname 0.0233 25 H9 3.7657 0.1893 2.4727 H 1 noname 0.0233 26 H10 -0.5097 1.1226 1.6447 H 1 noname 0.0570 27 H11 -1.2380 3.1755 -2.0042 H 1 noname 0.0404 28 H12 -0.3089 1.9474 -2.8967 H 1 noname 0.0404 29 H13 0.5089 3.3964 -2.2645 H 1 noname 0.0404 30 H14 0.1386 1.5562 4.4222 H 1 noname 0.0534 31 H15 -1.4325 1.3826 3.7573 H 1 noname 0.0534 32 H16 -0.6482 -1.1776 0.1045 H 1 noname 0.1414 @BOND 1 1 9 2 2 2 10 2 3 3 13 2 4 4 9 1 5 4 13 1 6 4 15 1 7 5 10 1 8 5 13 1 9 5 32 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 10 1 14 7 11 1 15 7 12 1 16 7 17 1 17 8 14 1 18 8 18 1 19 8 19 1 20 11 20 1 21 11 21 1 22 11 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 14 16 2 27 14 26 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 16 31 1 @SUBSTRUCTURE 1 noname 1