@MOLECULE DB07365 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 4.3575 -2.6650 1.5372 O.2 1 noname -0.2495 2 C1 4.1045 -2.1580 0.4230 C.2 1 noname 0.1439 3 O2 4.5410 -2.7564 -0.7056 O.3 1 noname -0.2139 4 C2 3.3370 -0.9187 0.3423 C.3 1 noname 0.0953 5 N1 4.1409 0.1105 -0.3149 N.3 1 noname -0.3191 6 C3 2.0601 -1.1612 -0.4650 C.3 1 noname -0.0024 7 C4 1.2926 0.0781 -0.5457 C.2 1 noname -0.0398 8 C5 0.3441 0.3728 0.4268 C.2 1 noname -0.0366 9 C6 1.5102 0.9633 -1.5950 C.2 1 noname -0.0514 10 C7 -0.3866 1.5527 0.3499 C.2 1 noname -0.0395 11 C8 0.1265 -0.5124 1.4761 C.2 1 noname -0.0461 12 C9 0.7795 2.1432 -1.6719 C.2 1 noname -0.0552 13 C10 -0.1690 2.4379 -0.6994 C.2 1 noname -0.0471 14 C11 -1.3351 1.8474 1.3224 C.2 1 noname -0.0474 15 C12 -0.8220 -0.2177 2.4486 C.2 1 noname -0.0567 16 C13 -1.5527 0.9622 2.3718 C.2 1 noname -0.0569 17 H1 4.4998 -3.7095 -0.5990 H 1 noname 0.2213 18 H2 3.1208 -0.5865 1.3577 H 1 noname 0.0575 19 H3 5.1079 -0.0724 -0.5419 H 1 noname 0.1191 20 H4 3.7293 1.0045 -0.5419 H 1 noname 0.1191 21 H5 2.3566 -1.3973 -1.4870 H 1 noname 0.0337 22 H6 1.4422 -1.8604 0.0985 H 1 noname 0.0337 23 H7 2.2540 0.7322 -2.3576 H 1 noname 0.0625 24 H8 0.6995 -1.4377 1.5364 H 1 noname 0.0629 25 H9 0.9501 2.8373 -2.4948 H 1 noname 0.0622 26 H10 -0.7420 3.3631 -0.7597 H 1 noname 0.0629 27 H11 -1.9081 2.7726 1.2621 H 1 noname 0.0629 28 H12 -0.9927 -0.9119 3.2715 H 1 noname 0.0622 29 H13 -2.2965 1.1933 3.1343 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 12 1 12 10 13 1 13 10 14 2 14 11 15 1 15 12 13 2 16 14 16 1 17 15 16 2 18 3 17 1 19 4 18 1 20 5 19 1 21 5 20 1 22 6 21 1 23 6 22 1 24 9 23 1 25 11 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 15 28 1 30 16 29 1 @SUBSTRUCTURE 1 noname 1