@MOLECULE DB01056 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.3417 -1.9053 0.8815 O.2 1 noname -0.2700 2 C1 -1.5752 -0.9502 0.6087 C.2 1 noname 0.1376 3 N1 -0.7049 -1.1422 -0.4453 N.3 1 noname -0.1375 4 C2 -1.7606 0.2727 1.4156 C.3 1 noname 0.0764 5 C3 0.2916 -0.3902 -1.0448 C.2 1 noname -0.0368 6 N2 -1.1961 0.0918 2.7465 N.3 1 noname -0.3205 7 C4 -1.0694 1.4497 0.7242 C.3 1 noname -0.0414 8 C5 1.2444 0.4510 -0.3671 C.2 1 noname -0.0366 9 C6 0.4062 -0.4692 -2.4740 C.2 1 noname -0.0366 10 C7 2.0965 1.3284 -1.1005 C.2 1 noname -0.0703 11 C8 1.5329 0.3919 1.0697 C.3 1 noname 0.0053 12 C9 1.2581 0.4060 -3.2054 C.2 1 noname -0.0703 13 C10 -0.3272 -1.4113 -3.3295 C.3 1 noname 0.0053 14 C11 2.0835 1.3285 -2.5209 C.2 1 noname -0.0661 15 H1 -0.8256 -2.0456 -0.8804 H 1 noname 0.1371 16 H2 -2.8303 0.4412 1.5400 H 1 noname 0.0556 17 H3 -0.1952 0.0291 2.8662 H 1 noname 0.1191 18 H4 -1.8057 0.0291 3.5493 H 1 noname 0.1191 19 H5 -0.6702 2.1296 1.4768 H 1 noname 0.0251 20 H6 -0.2555 1.0783 0.1016 H 1 noname 0.0251 21 H7 -1.7903 1.9796 0.1016 H 1 noname 0.0251 22 H8 2.7649 2.0062 -0.5696 H 1 noname 0.0625 23 H9 1.5962 -0.6495 1.3851 H 1 noname 0.0280 24 H10 2.4810 0.8907 1.2708 H 1 noname 0.0280 25 H11 0.7358 0.8907 1.6211 H 1 noname 0.0280 26 H12 1.2785 0.3697 -4.2946 H 1 noname 0.0625 27 H13 -0.8764 -2.1166 -2.7058 H 1 noname 0.0280 28 H14 -1.0271 -0.8614 -3.9588 H 1 noname 0.0280 29 H15 0.3775 -1.9549 -3.9588 H 1 noname 0.0280 30 H16 2.7015 2.0304 -3.0808 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 5 8 2 8 5 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 9 13 1 13 10 14 2 14 12 14 1 15 3 15 1 16 4 16 1 17 6 17 1 18 6 18 1 19 7 19 1 20 7 20 1 21 7 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1