@MOLECULE 1,6-phenazinedicarboxylic acid 28 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8589 1.2091 -1.2411 O.3 1 UNL1111 -0.5309 2 O -4.3034 -1.2440 0.9409 O.2 1 UNL1111 -0.4726 3 O 4.2657 1.2691 0.9561 O.2 1 UNL1111 -0.4710 4 O -3.7992 -1.2512 -1.2367 O.3 1 UNL1111 -0.5294 5 C 2.3583 -2.7836 0.0852 C.ar 1 UNL1111 -0.1494 6 C -2.3642 2.7867 0.0718 C.ar 1 UNL1111 -0.1494 7 C 3.2500 -1.6642 0.0578 C.ar 1 UNL1111 -0.0740 8 C -3.2551 1.6663 0.0516 C.ar 1 UNL1111 -0.0736 9 C 1.0090 -2.6084 0.0897 C.ar 1 UNL1111 -0.1006 10 C -1.0146 2.6126 0.0732 C.ar 1 UNL1111 -0.1004 11 N 0.8701 1.1125 0.0580 N.ar 1 UNL1111 -0.3139 12 N -0.8740 -1.1079 0.0675 N.ar 1 UNL1111 -0.3136 13 C 3.6875 0.7693 0.0300 C.2 1 UNL1111 0.6520 14 C -3.6875 -0.7699 0.0255 C.2 1 UNL1111 0.6522 15 C 2.7671 -0.3903 0.0429 C.ar 1 UNL1111 -0.1078 16 C -2.7712 0.3929 0.0408 C.ar 1 UNL1111 -0.1084 17 C 0.4608 -1.2792 0.0695 C.ar 1 UNL1111 0.0997 18 C -0.4650 1.2838 0.0599 C.ar 1 UNL1111 0.0996 19 C 1.3519 -0.1447 0.0541 C.ar 1 UNL1111 0.1184 20 C -1.3558 0.1492 0.0534 C.ar 1 UNL1111 0.1186 21 H 4.4224 2.0222 -1.3003 H 1 UNL1111 0.3523 22 H -4.3575 -2.0679 -1.2955 H 1 UNL1111 0.3522 23 H 2.7947 -3.7838 0.1012 H 1 UNL1111 0.1682 24 H -2.8006 3.7871 0.0848 H 1 UNL1111 0.1683 25 H 4.3255 -1.8608 0.0499 H 1 UNL1111 0.1718 26 H -4.3308 1.8619 0.0449 H 1 UNL1111 0.1719 27 H 0.3056 -3.4452 0.1086 H 1 UNL1111 0.1849 28 H -0.3121 3.4502 0.0859 H 1 UNL1111 0.1849 @BOND 1 1 13 1 2 1 21 1 3 2 14 2 4 3 13 2 5 4 22 1 6 5 9 ar 7 5 23 1 8 6 8 ar 9 6 24 1 10 7 5 ar 11 7 25 1 12 8 16 ar 13 8 26 1 14 9 27 1 15 10 6 ar 16 10 18 ar 17 10 28 1 18 11 18 ar 19 11 19 ar 20 13 15 1 21 14 4 1 22 15 7 ar 23 15 19 ar 24 16 14 1 25 17 9 ar 26 17 12 ar 27 18 20 ar 28 19 17 ar 29 20 12 ar 30 20 16 ar