@MOLECULE phenoxazine 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0001 1.3819 -0.1549 O.3 1 UNL1 -0.2617 2 N 0.0001 -1.4743 -0.1953 N.pl3 1 UNL1 -0.4768 3 C 1.1983 -0.7544 -0.0492 C.ar 1 UNL1 0.1194 4 C -1.1982 -0.7545 -0.0493 C.ar 1 UNL1 0.1194 5 C 1.1658 0.6558 -0.0548 C.ar 1 UNL1 0.1261 6 C -1.1660 0.6558 -0.0546 C.ar 1 UNL1 0.1262 7 C 2.4333 -1.3994 0.0417 C.ar 1 UNL1 -0.2147 8 C -2.4331 -1.3996 0.0414 C.ar 1 UNL1 -0.2147 9 C 2.3253 1.4131 0.0243 C.ar 1 UNL1 -0.1710 10 C -2.3253 1.4130 0.0248 C.ar 1 UNL1 -0.1711 11 C 3.6028 -0.6396 0.1138 C.ar 1 UNL1 -0.1308 12 C -3.6026 -0.6396 0.1135 C.ar 1 UNL1 -0.1308 13 C 3.5528 0.7503 0.1050 C.ar 1 UNL1 -0.1569 14 C -3.5530 0.7503 0.1052 C.ar 1 UNL1 -0.1568 15 H -0.0000 -2.4551 0.0463 H 1 UNL1 0.3114 16 H 2.4878 -2.4846 0.0477 H 1 UNL1 0.1602 17 H -2.4877 -2.4848 0.0470 H 1 UNL1 0.1602 18 H 2.2693 2.5001 0.0204 H 1 UNL1 0.1732 19 H -2.2699 2.5000 0.0213 H 1 UNL1 0.1732 20 H 4.5640 -1.1473 0.1779 H 1 UNL1 0.1527 21 H -4.5639 -1.1474 0.1770 H 1 UNL1 0.1527 22 H 4.4715 1.3305 0.1619 H 1 UNL1 0.1553 23 H -4.4717 1.3303 0.1623 H 1 UNL1 0.1553 @BOND 1 2 4 1 2 2 3 1 3 2 15 1 4 1 5 1 5 1 6 1 6 5 3 ar 7 5 9 ar 8 6 4 ar 9 6 10 ar 10 4 8 ar 11 3 7 ar 12 18 9 1 13 19 10 1 14 9 13 ar 15 10 14 ar 16 8 17 1 17 8 12 ar 18 7 16 1 19 7 11 ar 20 13 11 ar 21 13 22 1 22 14 12 ar 23 14 23 1 24 12 21 1 25 11 20 1