@MOLECULE 119026108 151 150 1 SMALL USER_CHARGES @ATOM 1 O1 -1.5857 3.5291 1.4783 O.3 1 noname 0.0000 2 O2 5.0374 -1.6935 1.3721 O.2 1 noname 0.0000 3 O3 -3.2369 -1.8101 -4.5698 O.2 1 noname 0.0000 4 O4 -2.1270 6.0818 4.0266 O.3 1 noname 0.0000 5 O5 -3.3119 9.2635 5.3591 O.3 1 noname 0.0000 6 N1 -0.3822 0.3097 0.1466 N.3 1 noname 0.0000 7 N2 3.0462 -0.7527 0.9443 N.3 1 noname 0.0000 8 N3 -1.9855 -1.0496 -2.8701 N.3 1 noname 0.0000 9 C1 -0.4525 -0.2985 -1.1810 C.3 1 noname 0.0000 10 C2 1.0179 0.4669 0.5371 C.3 1 noname 0.0000 11 C3 -1.0300 1.6199 0.1173 C.3 1 noname 0.0000 12 C4 -1.0641 -0.5497 1.1130 C.3 1 noname 0.0000 13 C5 -1.9177 -0.4631 -1.5897 C.3 1 noname 0.0000 14 C6 1.6959 -0.9044 0.5677 C.3 1 noname 0.0000 15 C7 -0.9564 2.2564 1.5067 C.3 1 noname 0.0000 16 C8 3.8404 -1.8279 1.0383 C.2 1 noname 0.0000 17 C9 -3.1768 -1.2901 -3.4346 C.2 1 noname 0.0000 18 C10 3.3075 -3.1565 0.7508 C.3 1 noname 0.0000 19 C11 -4.4045 -0.9446 -2.7240 C.3 1 noname 0.0000 20 C12 -1.5174 4.1198 2.7678 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