@MOLECULE DB02829 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8088 -2.1428 0.4386 O.2 1 noname -0.2598 2 C1 0.3532 -1.6792 0.4663 C.2 1 noname 0.0837 3 O2 1.3377 -2.6076 0.2919 O.3 1 noname -0.2191 4 C2 0.6251 -0.2823 0.5954 C.2 1 noname 0.0016 5 C3 1.9754 0.1221 0.5681 C.2 1 noname 0.0253 6 C4 -0.3907 0.7263 0.6227 C.2 1 noname 0.0007 7 C5 2.3277 1.4967 0.3925 C.2 1 noname 0.0191 8 C6 -0.0827 2.1033 0.5199 C.2 1 noname -0.0119 9 N1 3.6616 1.7380 0.2027 N.3 1 noname -0.1188 10 C7 1.2842 2.4919 0.3785 C.2 1 noname 0.0250 11 C8 4.5723 1.0880 -0.5931 C.2 1 noname 0.1591 12 N2 1.5688 3.8351 0.2166 N.3 1 noname -0.1316 13 O3 5.7734 1.4652 -0.5333 O.2 1 noname -0.2549 14 C9 4.2706 0.0286 -1.5758 C.3 1 noname 0.0629 15 C10 0.8966 4.9340 -0.2662 C.2 1 noname 0.1281 16 N3 4.2886 -1.2915 -0.9420 N.4 1 noname -0.0030 17 O4 1.4173 6.0597 -0.1424 O.2 1 noname -0.2772 18 C11 -0.3554 4.9525 -1.0145 C.3 1 noname 0.0098 19 H1 1.6528 -2.9047 1.1486 H 1 noname 0.2216 20 H2 2.7526 -0.6333 0.6836 H 1 noname 0.0648 21 H3 -1.4361 0.4353 0.7256 H 1 noname 0.0631 22 H4 -0.8792 2.8469 0.5488 H 1 noname 0.0640 23 H5 4.0308 2.5155 0.7312 H 1 noname 0.1374 24 H6 2.4995 4.0729 0.5288 H 1 noname 0.1371 25 H7 3.2461 0.1948 -1.9089 H 1 noname 0.1041 26 H8 5.0862 0.0326 -2.2989 H 1 noname 0.1041 27 H9 4.2871 -1.1829 0.0622 H 1 noname 0.2558 28 H10 3.4710 -1.8123 -1.2254 H 1 noname 0.2558 29 H11 5.1201 -1.7898 -1.2254 H 1 noname 0.2558 30 H12 -1.1944 4.9649 -0.3188 H 1 noname 0.0324 31 H13 -0.3905 5.8431 -1.6420 H 1 noname 0.0324 32 H14 -0.4168 4.0633 -1.6420 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 6 8 2 8 7 9 1 9 7 10 2 10 8 10 1 11 9 11 1 12 10 12 1 13 11 13 2 14 11 14 1 15 12 15 1 16 14 16 1 17 15 17 2 18 15 18 1 19 3 19 1 20 5 20 1 21 6 21 1 22 8 22 1 23 9 23 1 24 12 24 1 25 14 25 1 26 14 26 1 27 16 27 1 28 16 28 1 29 16 29 1 30 18 30 1 31 18 31 1 32 18 32 1 @SUBSTRUCTURE 1 noname 1