@MOLECULE 15967 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.0300 -3.0763 0.5166 O.2 1 noname -0.2760 2 C1 -0.3897 -2.0033 0.4816 C.2 1 noname 0.1333 3 N1 -0.9441 -0.9095 -0.0586 N.3 1 noname -0.1130 4 C2 0.9623 -1.9418 1.0294 C.3 1 noname 0.0099 5 C3 -0.2577 0.2407 -0.0960 C.2 1 noname 0.0364 6 N2 1.1304 0.2300 -0.1844 N.2 1 noname -0.2734 7 C4 -0.9445 1.4976 -0.0455 C.2 1 noname -0.0378 8 C5 1.9080 1.3821 -0.2276 C.2 1 noname 0.0646 9 C6 -0.1617 2.7050 -0.0888 C.2 1 noname 0.0248 10 N3 3.2423 1.2934 -0.3130 N.3 1 noname -0.0948 11 C7 1.2698 2.6677 -0.1801 C.2 1 noname -0.0082 12 N4 -0.7841 3.8908 -0.0427 N.3 1 noname -0.1404 13 C8 3.7393 0.5928 0.8052 C.3 1 noname 0.0071 14 C9 1.9633 3.7572 -0.2183 C.1 1 noname 0.0708 15 C10 5.2628 0.4915 0.7077 C.3 1 noname -0.0496 16 C11 3.3587 1.3395 2.0852 C.3 1 noname -0.0496 17 N5 2.5795 4.7252 -0.2522 N.1 1 noname -0.1797 18 H1 -1.8793 -0.9520 -0.4375 H 1 noname 0.1386 19 H2 0.9135 -1.9440 2.1183 H 1 noname 0.0324 20 H3 1.5317 -2.8068 0.6895 H 1 noname 0.0324 21 H4 1.4508 -1.0287 0.6895 H 1 noname 0.0324 22 H5 -2.0317 1.5341 0.0239 H 1 noname 0.0673 23 H6 3.7746 1.6823 -1.0782 H 1 noname 0.1299 24 H7 -0.2442 4.7442 -0.0254 H 1 noname 0.1243 25 H8 -1.7932 3.9312 -0.0254 H 1 noname 0.1243 26 H9 3.2681 -0.3890 0.7582 H 1 noname 0.0463 27 H10 5.6899 0.4631 1.7101 H 1 noname 0.0246 28 H11 5.5329 -0.4184 0.1717 H 1 noname 0.0246 29 H12 5.6510 1.3576 0.1717 H 1 noname 0.0246 30 H13 3.1254 0.6198 2.8699 H 1 noname 0.0246 31 H14 4.1928 1.9653 2.4025 H 1 noname 0.0246 32 H15 2.4867 1.9653 1.8952 H 1 noname 0.0246 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 12 1 12 9 11 1 13 10 13 1 14 11 14 1 15 13 15 1 16 13 16 1 17 14 17 3 18 3 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 7 22 1 23 10 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 15 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 @SUBSTRUCTURE 1 noname 1