@MOLECULE DB07498 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.8466 3.3511 0.7120 O.2 1 noname -0.1447 2 N1 2.0119 2.5803 0.9693 N.2 1 noname -0.0140 3 O2 1.2777 2.7582 1.9840 O.3 1 noname -0.1447 4 C1 1.8341 1.5334 0.2108 C.2 1 noname 0.0490 5 C2 0.8144 0.5734 0.5082 C.2 1 noname 0.0697 6 C3 2.6554 1.3117 -0.9452 C.2 1 noname 0.0481 7 C4 0.6226 -0.5711 -0.3500 C.2 1 noname 0.0118 8 C5 2.5434 0.1421 -1.7606 C.2 1 noname -0.0189 9 C6 -0.5481 -1.3848 -0.2908 C.2 1 noname 0.1410 10 C7 1.5284 -0.8066 -1.4387 C.2 1 noname 0.0187 11 N2 -0.7415 -2.5778 -0.9030 N.2 1 noname -0.1109 12 N3 -1.7354 -1.0177 0.2225 N.2 1 noname -0.1250 13 O3 -1.9827 -2.9249 -0.7907 O.3 1 noname -0.2849 14 C8 -2.6236 -1.9614 -0.0967 C.2 1 noname 0.1547 15 C9 -4.0429 -1.9528 0.2458 C.3 1 noname 0.0153 16 C10 -4.8771 -1.9832 -1.0363 C.3 1 noname -0.0363 17 C11 -6.3644 -1.9742 -0.6774 C.3 1 noname 0.0339 18 C12 -7.1605 -2.0032 -1.9009 C.2 1 noname 0.1348 19 O4 -8.4087 -2.0013 -1.8346 O.2 1 noname -0.2559 20 O5 -6.5485 -2.0322 -3.1039 O.3 1 noname -0.2189 21 H1 0.1848 0.7137 1.3869 H 1 noname 0.0654 22 H2 3.3962 2.0642 -1.2155 H 1 noname 0.0647 23 H3 3.2134 -0.0218 -2.6046 H 1 noname 0.0623 24 H4 1.4442 -1.7189 -2.0294 H 1 noname 0.0630 25 H5 -4.2277 -2.8842 0.7811 H 1 noname 0.0354 26 H6 -4.2272 -0.9968 0.7359 H 1 noname 0.0354 27 H7 -4.6754 -1.0517 -1.5652 H 1 noname 0.0276 28 H8 -4.6760 -2.9391 -1.5200 H 1 noname 0.0276 29 H9 -6.5828 -2.9059 -0.1555 H 1 noname 0.0372 30 H10 -6.5822 -1.0185 -0.2007 H 1 noname 0.0372 31 H11 -6.4122 -2.9440 -3.3717 H 1 noname 0.2213 @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 2 12 9 12 1 13 11 13 1 14 12 14 2 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 5 21 1 23 6 22 1 24 8 23 1 25 10 24 1 26 15 25 1 27 15 26 1 28 16 27 1 29 16 28 1 30 17 29 1 31 17 30 1 32 20 31 1 @SUBSTRUCTURE 1 noname 1