@MOLECULE DB04636 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 2.3347 -0.4692 -0.2554 O.2 1 noname -0.2474 2 C1 1.3395 0.2348 -0.5319 C.2 1 noname 0.1505 3 O2 1.4995 1.3972 -1.1995 O.3 1 noname -0.1980 4 C2 -0.0599 -0.2209 -0.1138 C.3 1 noname 0.0919 5 C3 2.5731 1.5473 -2.1167 C.3 1 noname 0.0697 6 N1 -0.6540 0.7795 0.7715 N.3 1 noname -0.3194 7 C4 -0.8954 -0.3780 -1.3007 C.3 1 noname -0.0201 8 C5 2.5264 2.9474 -2.7319 C.3 1 noname -0.0357 9 C6 2.4479 0.4992 -3.2243 C.3 1 noname -0.0357 10 C7 3.9017 1.3570 -1.3823 C.3 1 noname -0.0357 11 C8 -2.2949 -0.8337 -0.8826 C.3 1 noname 0.0229 12 C9 -3.1304 -0.9907 -2.0695 C.2 1 noname 0.0325 13 O3 -4.3193 -1.3588 -1.9527 O.2 1 noname -0.2985 14 N2 -2.6229 -0.7403 -3.2841 N.3 1 noname -0.0909 15 H1 -0.0377 -1.1742 0.4143 H 1 noname 0.0571 16 H2 -0.1071 1.5716 1.0773 H 1 noname 0.1191 17 H3 -1.6112 0.6784 1.0773 H 1 noname 0.1191 18 H4 -0.9894 0.6174 -1.7350 H 1 noname 0.0293 19 H5 -0.4456 -1.1848 -1.8793 H 1 noname 0.0293 20 H6 2.5015 3.6929 -1.9371 H 1 noname 0.0259 21 H7 3.4117 3.1031 -3.3485 H 1 noname 0.0259 22 H8 1.6327 3.0437 -3.3485 H 1 noname 0.0259 23 H9 2.4972 -0.4984 -2.7878 H 1 noname 0.0259 24 H10 1.4943 0.6246 -3.7371 H 1 noname 0.0259 25 H11 3.2630 0.6246 -3.9370 H 1 noname 0.0259 26 H12 3.7289 1.3817 -0.3064 H 1 noname 0.0259 27 H13 4.3352 0.3958 -1.6586 H 1 noname 0.0259 28 H14 4.5876 2.1578 -1.6586 H 1 noname 0.0259 29 H15 -2.2009 -1.8290 -0.4483 H 1 noname 0.0361 30 H16 -2.7447 -0.0269 -0.3040 H 1 noname 0.0361 31 H17 -3.2386 -0.6459 -4.0791 H 1 noname 0.1271 32 H18 -1.6245 -0.6459 -3.4046 H 1 noname 0.1271 @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 1 8 5 9 1 9 5 10 1 10 7 11 1 11 11 12 1 12 12 13 2 13 12 14 1 14 4 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 14 31 1 31 14 32 1 @SUBSTRUCTURE 1 noname 1