@MOLECULE citrate trianion 13 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5638 1.4669 -0.9261 O.2 1 UNL1 -0.1724 2 O 0.0471 -2.4590 -0.9704 O.2 1 UNL1 -0.3152 3 O -0.3049 -1.7524 1.2283 O.2 1 UNL1 -0.3368 4 O 5.0640 0.6978 0.0222 O.2 2 UNL2 -0.3111 5 O -5.1287 0.3971 0.2289 O.2 3 UNL3 -0.3078 6 O 3.1271 -0.6059 0.0929 O.2 2 UNL2 -0.3490 7 O -2.9644 0.0836 -0.5948 O.2 3 UNL3 -0.3556 8 C -0.2531 1.5314 0.2552 C.2 1 UNL1 -0.7313 9 C 1.2026 1.7608 0.1599 C.3 1 UNL1 0.4593 10 C -1.4128 1.4160 0.8002 C.2 1 UNL1 0.4369 11 C -0.1262 -2.1019 0.1274 C.1 1 UNL1 0.6519 12 C 4.0977 0.0450 0.0580 C.1 2 UNL2 0.6605 13 C -4.0463 0.2417 -0.1765 C.1 3 UNL3 0.6706 @BOND 1 2 11 2 2 1 9 1 3 1 8 1 4 7 13 2 5 13 5 2 6 4 12 2 7 12 6 2 8 11 3 2 9 9 8 1 10 8 10 2