@MOLECULE FDBD02100 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0349 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK 0.0057 3 C2 0.0223 -0.6829 1.1634 C.2 1 UNK 0.0984 4 O 0.0243 -0.0153 2.3343 O.2 1 UNK -0.4336 5 P 0.0491 -0.8994 3.6797 P.3 1 UNK 0.3603 6 S -1.1758 -2.2955 3.5282 S.2 1 UNK 0.0363 7 O1 1.5258 -1.5024 3.8985 O.3 1 UNK -0.3051 8 C3 1.8047 -2.5662 4.8108 C.3 1 UNK 0.0464 9 O2 -0.3445 0.0259 4.9371 O.3 1 UNK -0.3051 10 C4 -0.7149 -0.5074 6.2101 C.3 1 UNK 0.0464 11 C5 -0.0000 -0.7052 -1.2277 C.2 1 UNK 0.0223 12 O3 0.0165 -1.9217 -1.2344 O.co2 1 UNK -0.8006 13 O4 -0.0203 -0.0244 -2.3925 O.2 1 UNK -0.5150 14 C6 -0.0212 -0.7961 -3.5951 C.3 1 UNK 0.0765 15 H -0.0136 1.8540 1.0210 H 1 UNK 0.0279 16 H1 -0.9016 1.8502 -0.4838 H 1 UNK 0.0279 17 H2 0.8455 1.8741 -0.5004 H 1 UNK 0.0279 18 H3 0.0363 -1.7148 1.1578 H 1 UNK 0.1031 19 H4 2.8497 -2.7945 4.7837 H 1 UNK 0.0529 20 H5 1.2429 -3.4327 4.5307 H 1 UNK 0.0529 21 H6 1.5303 -2.2680 5.8011 H 1 UNK 0.0529 22 H7 -0.9316 0.2952 6.8837 H 1 UNK 0.0529 23 H8 0.0917 -1.0924 6.6001 H 1 UNK 0.0529 24 H9 -1.5821 -1.1244 6.0997 H 1 UNK 0.0529 25 H10 -0.0381 -0.1398 -4.4400 H 1 UNK 0.0659 26 H11 -0.8866 -1.4251 -3.6146 H 1 UNK 0.0659 27 H12 0.8605 -1.4013 -3.6312 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 3 0 3 2 11 2 4 3 4 2 5 4 5 1 6 5 6 2 7 5 7 1 8 5 9 1 9 7 8 1 10 9 10 1 11 11 12 0 12 11 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 3 18 1 18 8 19 1 19 8 20 1 20 8 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 14 25 1 25 14 26 1 26 14 27 1