@MOLECULE 2-carboxy-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium 17 7 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -233.6090 2.7814 0.3018 C.2 1 UNL1 0.4341 2 C 283.8892 1.6644 1.1641 C.3 2 UNL2 0.2342 3 O 222.4789 -3.2931 3.9362 O.3 1 UNL1 0.0000 4 C 285.0508 1.7869 0.5323 C.3 2 UNL2 -0.0786 5 C -45.0231 -17.9263 -0.5217 C.3 2 UNL2 -0.0000 6 O 286.0772 1.9079 -0.0270 O.3 2 UNL2 -0.1557 7 C -224.3384 2.0174 0.7308 C.3 3 UNL3 0.0000 8 N -230.6389 -0.5440 2.3107 N.1 5 UNL5 -0.0074 9 O -232.4825 2.8506 0.1313 O.2 1 UNL1 -0.4341 10 C 255.2502 2.1688 -2.1399 C.3 4 UNL4 0.0000 11 C -15.6446 -0.6643 -2.2440 C.1 7 UNL7 0.6463 12 O -14.5411 -0.8560 -2.5726 O.2 7 UNL7 -0.3248 13 N -230.2798 0.0269 1.4172 N.1 5 UNL5 0.0074 14 C -25.6608 1.2923 -1.0248 C.2 8 UNL8 0.4348 15 C -35.0684 6.8874 0.6393 C.3 5 UNL5 -0.0000 16 O -16.7482 -0.4821 -1.9080 O.2 7 UNL7 -0.3215 17 O -25.0818 0.3193 -0.9002 O.2 8 UNL8 -0.4348 @BOND 1 12 11 2 2 11 16 2 3 14 17 2 4 6 4 1 5 9 1 2 6 4 2 1 7 13 8 3