@MOLECULE 3,7-bis(diethylamino)phenothiazin-5-ium 24 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.0003 1.0606 0.0334 S.3 1 UNL1 0.7138 2 N -5.1314 0.5437 -0.0196 N.pl3 1 UNL1 0.5432 3 N 5.1303 0.5398 -0.0363 N.pl3 1 UNL1 0.5428 4 N -0.0010 -2.1266 0.0649 N.2 1 UNL1 -0.3815 5 C -3.8584 -0.1076 0.0028 C.ar 1 UNL1 -0.1076 6 C 3.8582 -0.1115 0.0074 C.2 1 UNL1 -0.1078 7 C -1.3275 -0.0039 0.0337 C.ar 1 UNL1 -0.4512 8 C 1.3272 -0.0029 0.0380 C.3 1 UNL1 -0.4514 9 C -1.1628 -1.4611 0.0408 C.ar 1 UNL1 0.3542 10 C 1.1609 -1.4607 0.0634 C.2 1 UNL1 0.3544 11 C -6.1718 -0.2135 -0.1314 C.1 1 UNL1 -0.7042 12 C -5.1226 1.8378 0.0667 C.1 1 UNL1 -0.7216 13 C 6.1790 -0.2147 -0.0479 C.1 1 UNL1 -0.7036 14 C 5.1139 1.8367 -0.0678 C.1 1 UNL1 -0.7221 15 C -2.6206 0.4848 0.0191 C.ar 1 UNL1 0.1686 16 C 2.6203 0.4834 0.0121 C.2 1 UNL1 0.1696 17 C -3.5898 -1.4867 0.0015 C.ar 1 UNL1 0.0719 18 C 3.5877 -1.4891 0.0438 C.2 1 UNL1 0.0724 19 C -2.4408 -2.0312 0.0184 C.ar 1 UNL1 -0.0933 20 C 2.4382 -2.0329 0.0677 C.2 1 UNL1 -0.0934 21 C -7.2176 -0.9392 -0.2458 C.1 1 UNL1 0.4043 22 C -5.1701 3.1082 0.1495 C.1 1 UNL1 0.3697 23 C 7.2447 -0.9199 -0.0705 C.1 1 UNL1 0.4044 24 C 5.1550 3.1092 -0.1010 C.1 1 UNL1 0.3686 @BOND 1 21 11 3 2 11 2 1 3 24 14 3 4 23 13 3 5 14 3 1 6 13 3 1 7 3 6 1 8 2 5 1 9 2 12 1 10 17 5 ar 11 17 19 ar 12 5 15 ar 13 6 16 2 14 6 18 1 15 16 8 1 16 19 9 ar 17 15 7 ar 18 1 7 1 19 1 8 1 20 7 9 ar 21 8 10 1 22 9 4 1 23 18 20 2 24 10 4 2 25 10 20 1 26 12 22 3