@MOLECULE 2-amino-8-(9H-fluoren-2-ylamino)-3,7-dihydropurine-1,9-diium-5-id-6-one 39 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.0945 1.6199 0.0626 O.2 1 UNL1 -0.3068 2 N 0.6088 1.9137 -0.0985 N.pl3 1 UNL1 -0.7853 3 N 3.0070 1.7116 -0.0262 N.ar 1 UNL1 -0.6242 4 N 1.8147 -0.2463 -0.0485 N.ar 1 UNL1 -0.5705 5 N 3.7684 -1.7730 -0.0405 N.ar 1 UNL1 -0.8689 6 N 5.9232 -0.6631 0.0250 N.ar 1 UNL1 -0.8012 7 N 5.7883 -2.9964 0.1638 N.pl3 1 UNL1 -0.9929 8 C -2.4178 -0.2274 -0.0832 C.ar 1 UNL1 0.3787 9 C -3.0548 -1.5927 -0.1299 C.3 1 UNL1 -0.8180 10 C -3.4179 0.7741 0.0119 C.ar 1 UNL1 -0.1634 11 C -4.5268 -1.2798 -0.0470 C.ar 1 UNL1 0.2819 12 C -4.7230 0.1245 0.0335 C.ar 1 UNL1 0.0016 13 C -1.0771 0.0922 -0.1184 C.ar 1 UNL1 -0.5738 14 C -0.7269 1.4511 -0.0513 C.ar 1 UNL1 0.5475 15 C -3.0643 2.1107 0.0722 C.ar 1 UNL1 -0.1010 16 C -5.6022 -2.1444 -0.0393 C.ar 1 UNL1 -0.3571 17 C -5.9976 0.6549 0.1183 C.ar 1 UNL1 -0.2417 18 C -1.7123 2.4523 0.0433 C.ar 1 UNL1 -0.5223 19 C 1.7349 1.1209 -0.0540 C.ar 1 UNL1 0.6321 20 C -6.8914 -1.6020 0.0492 C.ar 1 UNL1 -0.1741 21 C -7.0857 -0.2260 0.1258 C.ar 1 UNL1 -0.2166 22 C 3.9290 0.6612 -0.0132 C.ar 1 UNL1 -0.3515 23 C 3.1708 -0.5256 -0.0288 C.ar 1 UNL1 0.5274 24 C 5.3854 0.6460 0.0326 C.ar 1 UNL1 0.5864 25 C 5.1813 -1.7466 0.0332 C.ar 1 UNL1 0.9135 26 H -2.7179 -2.2318 0.7095 H 1 UNL1 0.2979 27 H -2.7970 -2.1355 -1.0599 H 1 UNL1 0.2987 28 H -0.3245 -0.6953 -0.1955 H 1 UNL1 0.3261 29 H -3.8259 2.8852 0.1430 H 1 UNL1 0.2140 30 H -5.4619 -3.2196 -0.0993 H 1 UNL1 0.2303 31 H -6.1541 1.7281 0.1784 H 1 UNL1 0.2147 32 H -1.4319 3.5005 0.0944 H 1 UNL1 0.2504 33 H 0.7451 2.9189 -0.0290 H 1 UNL1 0.4652 34 H -7.7506 -2.2700 0.0582 H 1 UNL1 0.1944 35 H -8.0956 0.1743 0.1926 H 1 UNL1 0.1966 36 H 3.2585 2.6756 -0.0483 H 1 UNL1 0.4937 37 H 3.2148 -2.6062 0.0927 H 1 UNL1 0.5203 38 H 5.3912 -3.7780 -0.3212 H 1 UNL1 0.4307 39 H 6.8024 -2.9835 0.1734 H 1 UNL1 0.4671 @BOND 1 27 9 1 2 38 7 1 3 28 13 1 4 9 8 1 5 9 11 1 6 9 26 1 7 13 8 ar 8 13 14 ar 9 30 16 1 10 2 19 1 11 2 14 1 12 2 33 1 13 8 10 ar 14 19 4 ar 15 19 3 ar 16 14 18 ar 17 4 23 ar 18 36 3 1 19 11 16 ar 20 11 12 ar 21 5 23 ar 22 5 25 ar 23 5 37 1 24 16 20 ar 25 23 22 ar 26 3 22 ar 27 22 24 ar 28 10 12 1 29 10 15 ar 30 6 24 ar 31 6 25 ar 32 24 1 2 33 25 7 1 34 12 17 ar 35 18 15 ar 36 18 32 1 37 20 34 1 38 20 21 ar 39 15 29 1 40 17 21 ar 41 17 31 1 42 21 35 1 43 7 39 1