@MOLECULE FDBD02113 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0504 0.3003 0.8195 C.3 1 UNK 0.0106 2 N 0.2054 -1.1020 0.4246 N.am 1 UNK -0.2472 3 C1 0.3840 -2.0510 1.3647 C.2 1 UNK 0.2085 4 O 0.4165 -1.7444 2.5371 O.2 1 UNK -0.2789 5 C2 0.1693 -1.4429 -0.8789 C.2 1 UNK 0.2317 6 O1 0.2976 -2.6032 -1.2057 O.2 1 UNK -0.2743 7 C3 -0.0305 -0.3817 -1.9301 C.3 1 UNK 0.0793 8 S -0.0326 -1.1508 -3.5729 S.3 1 UNK -0.0646 9 P -1.9779 -1.9826 -3.7076 P.3 1 UNK 0.2291 10 S1 -2.3054 -3.0424 -2.2102 S.2 1 UNK 0.0032 11 O2 -3.0651 -0.7970 -3.7741 O.3 1 UNK -0.3267 12 C4 -3.0216 0.3477 -2.9198 C.3 1 UNK 0.0441 13 O3 -2.0852 -2.8843 -5.0371 O.3 1 UNK -0.3267 14 C5 -1.4883 -4.1777 -5.1505 C.3 1 UNK 0.0441 15 H 0.1055 0.3789 1.8852 H 1 UNK 0.0433 16 H1 -0.8988 0.6626 0.4837 H 1 UNK 0.0433 17 H2 0.8313 0.8836 0.3780 H 1 UNK 0.0433 18 H3 0.4931 -3.0388 1.0865 H 1 UNK 0.1257 19 H4 0.7642 0.3324 -1.8716 H 1 UNK 0.0476 20 H5 -0.9658 0.1114 -1.7659 H 1 UNK 0.0476 21 H6 -3.8430 0.9944 -3.1479 H 1 UNK 0.0528 22 H7 -2.1016 0.8721 -3.0728 H 1 UNK 0.0528 23 H8 -3.0877 0.0337 -1.8991 H 1 UNK 0.0528 24 H9 -1.6931 -4.5813 -6.1201 H 1 UNK 0.0528 25 H10 -1.8947 -4.8250 -4.4016 H 1 UNK 0.0528 26 H11 -0.4302 -4.0953 -5.0147 H 1 UNK 0.0528 @BOND 1 1 2 1 2 2 3 am 3 2 5 am 4 3 4 2 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 9 13 1 12 11 12 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 3 18 1 18 7 19 1 19 7 20 1 20 12 21 1 21 12 22 1 22 12 23 1 23 14 24 1 24 14 25 1 25 14 26 1