@MOLECULE DB07240 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 6.8738 -4.5942 -0.4324 O.2 1 noname -0.2552 2 C1 5.6880 -4.3047 -0.1629 C.2 1 noname 0.1360 3 O2 4.9076 -5.1930 0.4886 O.3 1 noname -0.2183 4 C2 5.1470 -3.0059 -0.5528 C.3 1 noname 0.0596 5 C3 3.6866 -2.9073 -0.1076 C.3 1 noname 0.0865 6 O3 3.1604 -1.6441 -0.4868 O.3 1 noname -0.1965 7 N1 1.9529 -1.5626 -0.1186 N.2 1 noname -0.1975 8 C4 1.2830 -0.5048 -0.3595 C.2 1 noname 0.0340 9 C5 -0.1176 -0.1690 -0.0385 C.2 1 noname -0.0135 10 C6 1.6805 0.7393 -1.0392 C.2 1 noname -0.0135 11 C7 -0.4476 1.1673 -0.3593 C.2 1 noname -0.0108 12 C8 -1.0903 -1.0629 0.4987 C.2 1 noname -0.0270 13 C9 0.6387 1.7138 -1.0362 C.2 1 noname -0.0108 14 C10 2.8938 0.9622 -1.7360 C.2 1 noname -0.0270 15 C11 -1.7349 1.7248 -0.0787 C.2 1 noname -0.0376 16 C12 -2.3938 -0.5297 0.7423 C.2 1 noname -0.0506 17 C13 0.7370 2.9267 -1.7645 C.2 1 noname -0.0376 18 C14 2.9889 2.1608 -2.5075 C.2 1 noname -0.0506 19 C15 -2.7007 0.8433 0.4778 C.2 1 noname -0.0454 20 C16 1.9254 3.1234 -2.5307 C.2 1 noname -0.0454 21 H1 5.0109 -5.0754 1.4357 H 1 noname 0.2213 22 H2 5.7136 -2.2640 0.0100 H 1 noname 0.0397 23 H3 5.1607 -2.9904 -1.6426 H 1 noname 0.0397 24 H4 3.1116 -3.6426 -0.6704 H 1 noname 0.0600 25 H5 3.6644 -2.9163 0.9822 H 1 noname 0.0600 26 H6 -0.8489 -2.1040 0.7130 H 1 noname 0.0629 27 H7 3.7140 0.2464 -1.6810 H 1 noname 0.0629 28 H8 -1.9685 2.7704 -0.2792 H 1 noname 0.0629 29 H9 -3.1704 -1.1841 1.1382 H 1 noname 0.0622 30 H10 -0.0600 3.6698 -1.7367 H 1 noname 0.0629 31 H11 3.8914 2.3447 -3.0905 H 1 noname 0.0622 32 H12 -3.6950 1.2272 0.7059 H 1 noname 0.0622 33 H13 2.0221 4.0208 -3.1418 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 8 9 1 9 8 10 1 10 9 11 2 11 9 12 1 12 10 13 2 13 10 14 1 14 11 15 1 15 11 13 1 16 12 16 2 17 13 17 1 18 14 18 2 19 15 19 2 20 16 19 1 21 17 20 2 22 18 20 1 23 3 21 1 24 4 22 1 25 4 23 1 26 5 24 1 27 5 25 1 28 12 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 17 30 1 33 18 31 1 34 19 32 1 35 20 33 1 @SUBSTRUCTURE 1 noname 1