@MOLECULE DB03037 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.5728 -1.0826 -3.4633 O.2 1 noname -0.2893 2 C1 -0.1957 -0.3333 -2.5365 C.2 1 noname 0.0963 3 C2 -0.6715 -0.5036 -1.1371 C.2 1 noname 0.0470 4 C3 0.7537 0.7815 -2.7606 C.2 1 noname 0.0448 5 C4 -1.5911 -1.5642 -0.8750 C.2 1 noname 0.0544 6 C5 -0.2322 0.3669 -0.0656 C.2 1 noname 0.0295 7 C6 1.2327 0.9804 -4.0869 C.2 1 noname 0.0473 8 C7 1.1857 1.6477 -1.6918 C.2 1 noname 0.0288 9 O2 -2.0034 -2.3800 -1.8684 O.3 1 noname -0.2757 10 C8 -2.0648 -1.7434 0.4585 C.2 1 noname 0.0059 11 C9 0.7204 1.4850 -0.2990 C.2 1 noname 0.0815 12 C10 -0.7124 0.1733 1.2656 C.2 1 noname -0.0188 13 O3 0.8334 0.1713 -5.0912 O.3 1 noname -0.2775 14 C11 2.1444 2.0532 -4.3342 C.2 1 noname -0.0044 15 C12 2.0983 2.7141 -1.9476 C.2 1 noname -0.0211 16 C13 -1.6319 -0.8885 1.5134 C.2 1 noname -0.0159 17 C14 -3.0080 -2.8197 0.7473 C.3 1 noname 0.0612 18 O4 1.1023 2.2379 0.6229 O.2 1 noname -0.2940 19 C15 2.5757 2.9126 -3.2782 C.2 1 noname -0.0233 20 C16 -4.3729 -2.3274 0.5848 C.2 1 noname 0.1371 21 O5 -5.1339 -2.8597 -0.2518 O.2 1 noname -0.2543 22 O6 -4.8130 -1.2972 1.3381 O.3 1 noname -0.2177 23 H1 -1.8915 -3.2945 -1.5987 H 1 noname 0.2182 24 H2 -0.3836 0.8232 2.0765 H 1 noname 0.0630 25 H3 0.9392 -0.7450 -4.8252 H 1 noname 0.2182 26 H4 2.5169 2.2187 -5.3451 H 1 noname 0.0650 27 H5 2.4257 3.3672 -1.1386 H 1 noname 0.0630 28 H6 -2.0092 -1.0489 2.5234 H 1 noname 0.0626 29 H7 -2.8564 -3.5840 -0.0150 H 1 noname 0.0423 30 H8 -2.8871 -3.0698 1.8013 H 1 noname 0.0423 31 H9 3.2725 3.7239 -3.4887 H 1 noname 0.0623 32 H10 -4.7189 -1.5174 2.2678 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 2 12 7 13 1 13 7 14 1 14 8 15 2 15 8 11 1 16 10 16 2 17 10 17 1 18 11 18 2 19 12 16 1 20 14 19 2 21 15 19 1 22 17 20 1 23 20 21 2 24 20 22 1 25 9 23 1 26 12 24 1 27 13 25 1 28 14 26 1 29 15 27 1 30 16 28 1 31 17 29 1 32 17 30 1 33 19 31 1 34 22 32 1 @SUBSTRUCTURE 1 noname 1