@MOLECULE DB07464 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -2.0398 2.4394 -1.4068 O.2 1 noname -0.2571 2 C1 -0.8042 2.3255 -1.5578 C.2 1 noname 0.0936 3 O2 -0.2821 2.2263 -2.7988 O.3 1 noname -0.2173 4 C2 0.0323 2.3010 -0.4479 C.2 1 noname 0.0213 5 C3 1.4063 2.1744 -0.6157 C.2 1 noname 0.0515 6 C4 -0.5053 2.4031 0.8299 C.2 1 noname 0.0009 7 O3 1.9284 2.0752 -1.8567 O.3 1 noname -0.2750 8 C5 2.2427 2.1499 0.4942 C.2 1 noname -0.0092 9 C6 0.3311 2.3786 1.9398 C.2 1 noname -0.0549 10 C7 1.7051 2.2520 1.7720 C.2 1 noname -0.0238 11 C8 3.6859 2.0169 0.3179 C.3 1 noname -0.0110 12 C9 4.0653 0.5347 0.3186 C.3 1 noname 0.0539 13 N1 5.4591 0.4062 0.1483 N.3 1 noname -0.0806 14 B1 3.6243 -0.1419 1.7460 B 1 noname 0.1895 15 C10 5.9625 -0.6738 -0.4647 C.2 1 noname 0.0358 16 O4 4.3459 0.5698 2.8922 O.3 1 noname -0.2868 17 O5 4.0037 -1.6241 1.7467 O.3 1 noname -0.2868 18 O6 7.1981 -0.7877 -0.6156 O.2 1 noname -0.2980 19 C11 5.0677 -1.7176 -0.9562 C.3 1 noname 0.0095 20 H1 -0.1841 1.3002 -3.0316 H 1 noname 0.2216 21 H2 -1.5828 2.5024 0.9615 H 1 noname 0.0632 22 H3 2.0264 1.1490 -2.0896 H 1 noname 0.2182 23 H4 -0.0904 2.4587 2.9418 H 1 noname 0.0622 24 H5 2.3610 2.2328 2.6423 H 1 noname 0.0626 25 H6 3.9044 2.4122 -0.6741 H 1 noname 0.0327 26 H7 4.1387 2.4730 1.1982 H 1 noname 0.0327 27 H8 3.6590 0.0547 -0.5718 H 1 noname 0.0439 28 H9 6.1125 1.1045 0.4732 H 1 noname 0.1306 29 H10 4.7211 -0.0825 3.4882 H 1 noname 0.1898 30 H11 4.0830 -1.9337 2.6519 H 1 noname 0.1898 31 H12 4.6199 -2.2400 -0.1109 H 1 noname 0.0324 32 H13 4.2820 -1.2668 -1.5624 H 1 noname 0.0324 33 H14 5.6334 -2.4252 -1.5624 H 1 noname 0.0324 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 8 10 2 10 8 11 1 11 9 10 1 12 11 12 1 13 12 13 1 14 12 14 1 15 13 15 1 16 14 16 1 17 14 17 1 18 15 18 2 19 15 19 1 20 3 20 1 21 6 21 1 22 7 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 16 29 1 30 17 30 1 31 19 31 1 32 19 32 1 33 19 33 1 @SUBSTRUCTURE 1 noname 1