@MOLECULE 3,10-dimethyl-10h-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole 28 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.4608 1.5197 0.0028 N.ar 1 UNL1 -0.3284 2 N 2.0352 -0.4426 0.0010 N.ar 1 UNL1 -0.2459 3 N 0.9062 -1.1695 0.0011 N.ar 1 UNL1 -0.0803 4 N 0.9545 1.7729 0.0024 N.ar 1 UNL1 -0.3627 5 N 3.4119 1.3448 0.0009 N.ar 1 UNL1 -0.1696 6 N 4.1456 0.2195 -0.0016 N.ar 1 UNL1 -0.1906 7 C -1.5913 -0.8070 0.0012 C.ar 1 UNL1 -0.1301 8 C -2.3380 0.4178 0.0004 C.ar 1 UNL1 0.2122 9 C -0.1892 -0.4437 0.0017 C.ar 1 UNL1 0.0117 10 C -0.1555 1.0569 0.0019 C.ar 1 UNL1 0.2886 11 C -2.2481 -2.0252 0.0012 C.ar 1 UNL1 -0.0286 12 C -3.7274 0.4137 -0.0007 C.ar 1 UNL1 -0.2472 13 C -1.8476 2.9185 -0.0057 C.3 1 UNL1 -0.2147 14 C 2.1010 1.0208 0.0021 C.ar 1 UNL1 0.2644 15 C 3.3750 -0.8862 -0.0017 C.ar 1 UNL1 0.2078 16 C -3.6445 -2.0250 -0.0005 C.ar 1 UNL1 -0.2141 17 C -4.3647 -0.8280 -0.0014 C.ar 1 UNL1 -0.0570 18 C 3.7930 -2.2928 -0.0034 C.3 1 UNL1 -0.4182 19 H -1.6822 -2.9583 0.0026 H 1 UNL1 0.1721 20 H -4.2979 1.3365 -0.0010 H 1 UNL1 0.1696 21 H -2.4544 3.1608 0.8866 H 1 UNL1 0.1550 22 H -2.4283 3.1582 -0.9160 H 1 UNL1 0.1549 23 H -0.9449 3.5685 0.0064 H 1 UNL1 0.1922 24 H -4.1796 -2.9728 -0.0010 H 1 UNL1 0.1609 25 H -5.4558 -0.8622 -0.0026 H 1 UNL1 0.1522 26 H 3.3788 -2.8427 -0.8670 H 1 UNL1 0.1794 27 H 3.4544 -2.8210 0.9056 H 1 UNL1 0.1792 28 H 4.8939 -2.3830 -0.0483 H 1 UNL1 0.1873 @BOND 1 22 13 1 2 26 18 1 3 28 18 1 4 13 1 1 5 13 23 1 6 13 21 1 7 18 15 1 8 18 27 1 9 25 17 1 10 15 6 ar 11 15 2 ar 12 6 5 ar 13 17 12 ar 14 17 16 ar 15 24 16 1 16 20 12 1 17 12 8 ar 18 16 11 ar 19 8 7 ar 20 8 1 ar 21 5 14 ar 22 2 3 ar 23 2 14 ar 24 3 9 ar 25 11 7 ar 26 11 19 1 27 7 9 ar 28 9 10 ar 29 10 4 ar 30 10 1 ar 31 14 4 ar