@MOLECULE 15959 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.0212 0.1316 -4.2893 O.2 1 noname -0.2760 2 C1 0.4580 0.4624 -3.1831 C.2 1 noname 0.1334 3 N1 -0.2877 0.3654 -2.0740 N.3 1 noname -0.1123 4 C2 1.8300 0.9544 -3.0996 C.3 1 noname 0.0099 5 C3 0.2259 0.7200 -0.8883 C.2 1 noname 0.0456 6 N2 1.5653 0.6088 -0.6070 N.2 1 noname -0.2327 7 C4 -0.5789 1.2366 0.1630 C.2 1 noname -0.0171 8 C5 2.1751 0.9718 0.5841 C.2 1 noname 0.0971 9 C6 0.0056 1.6183 1.4140 C.2 1 noname 0.0363 10 O2 3.5472 0.8877 0.6624 O.3 1 noname -0.2276 11 C7 1.3950 1.4965 1.6620 C.2 1 noname 0.0320 12 N3 -0.7862 2.1055 2.3791 N.3 1 noname -0.1391 13 C8 4.1151 2.1178 0.1834 C.3 1 noname 0.0915 14 C9 1.9240 1.8377 2.7902 C.1 1 noname 0.0819 15 C10 3.9236 2.4204 -1.2953 C.3 1 noname 0.0736 16 C11 5.6276 2.1807 0.1960 C.3 1 noname -0.0002 17 N4 2.3941 2.1410 3.7928 N.1 1 noname -0.1780 18 O3 4.7021 3.5782 -1.4931 O.3 1 noname -0.3785 19 C12 5.9133 3.3044 -0.8044 C.3 1 noname 0.0494 20 H1 -1.2369 0.0250 -2.1318 H 1 noname 0.1386 21 H2 2.1161 1.0570 -2.0529 H 1 noname 0.0324 22 H3 2.4995 0.2490 -3.5919 H 1 noname 0.0324 23 H4 1.8987 1.9245 -3.5919 H 1 noname 0.0324 24 H5 -1.6529 1.3408 0.0087 H 1 noname 0.0673 25 H6 -0.4083 2.2892 3.2976 H 1 noname 0.1243 26 H7 -1.7608 2.2892 2.1880 H 1 noname 0.1243 27 H8 3.5725 2.7407 0.8945 H 1 noname 0.0634 28 H9 4.3808 1.6263 -1.8858 H 1 noname 0.0593 29 H10 2.8856 2.7022 -1.4720 H 1 noname 0.0593 30 H11 5.9452 2.5101 1.1853 H 1 noname 0.0317 31 H12 6.0094 1.2465 -0.2159 H 1 noname 0.0317 32 H13 6.1521 4.2100 -0.2467 H 1 noname 0.0567 33 H14 6.6071 2.9285 -1.5563 H 1 noname 0.0567 @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 13 10 1 14 11 14 1 15 13 15 1 16 13 16 1 17 14 17 3 18 15 18 1 19 16 19 1 20 18 19 1 21 3 20 1 22 4 21 1 23 4 22 1 24 4 23 1 25 7 24 1 26 12 25 1 27 12 26 1 28 13 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 16 31 1 33 19 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1