@MOLECULE DB03861 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.4936 -2.2378 -0.5912 O.3 1 noname -0.2653 2 C1 -1.9035 -1.3731 -1.3952 C.2 1 noname 0.0224 3 N1 -1.0290 -0.5679 -0.9341 N.2 1 noname -0.2176 4 C2 -2.2449 -1.3395 -2.7835 C.3 1 noname -0.0002 5 C3 -0.6804 -0.6023 0.4838 C.3 1 noname 0.1309 6 N2 0.7982 -0.9129 0.6011 N.3 1 noname -0.2929 7 C4 -1.1381 0.7859 1.0274 C.3 1 noname 0.1158 8 C5 1.5015 -0.2782 1.7552 C.3 1 noname 0.0048 9 O2 -1.5790 0.6465 2.3700 O.3 1 noname -0.3866 10 C6 0.0653 1.7632 0.9772 C.3 1 noname 0.0896 11 C7 1.3370 1.2739 1.7568 C.3 1 noname 0.0232 12 O3 -0.3347 3.0323 1.4731 O.3 1 noname -0.3897 13 C8 1.2762 1.7788 3.1998 C.3 1 noname 0.0498 14 O4 2.4758 1.4293 3.8745 O.3 1 noname -0.3958 15 H1 -2.3259 -1.9920 0.3215 H 1 noname 0.2195 16 H2 -2.3374 -2.3583 -3.1597 H 1 noname 0.0317 17 H3 -3.1930 -0.8173 -2.9119 H 1 noname 0.0317 18 H4 -1.4645 -0.8173 -3.3370 H 1 noname 0.0317 19 H5 -1.1676 -1.4083 1.0324 H 1 noname 0.0751 20 H6 1.2867 -1.5085 -0.0522 H 1 noname 0.1244 21 H7 -2.0053 1.1769 0.4952 H 1 noname 0.0664 22 H8 0.9964 -0.6541 2.6449 H 1 noname 0.0433 23 H9 2.5600 -0.4872 1.6002 H 1 noname 0.0433 24 H10 -1.6507 -0.2857 2.5881 H 1 noname 0.2107 25 H11 0.3271 1.9192 -0.0693 H 1 noname 0.0633 26 H12 2.2127 1.6923 1.2606 H 1 noname 0.0367 27 H13 -0.3298 3.0169 2.4329 H 1 noname 0.2105 28 H14 1.2629 2.8685 3.1760 H 1 noname 0.0567 29 H15 0.4840 1.2352 3.7147 H 1 noname 0.0567 30 H16 2.3333 1.4708 4.8230 H 1 noname 0.2100 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 5 3 1 5 5 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 10 12 1 12 10 11 1 13 11 13 1 14 13 14 1 15 1 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1