@MOLECULE zardaverine 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.1428 0.3246 0.1198 O.2 1 UNL1 -0.4821 2 C -4.9390 0.3863 0.0046 C.ar 1 UNL1 0.5268 3 N -4.1732 -0.5833 0.7106 N.ar 1 UNL1 -0.3556 4 N -2.8413 -0.6553 0.7036 N.ar 1 UNL1 -0.1241 5 C -2.1567 0.2273 -0.0074 C.ar 1 UNL1 0.0161 6 C -2.8055 1.2595 -0.7825 C.ar 1 UNL1 -0.0795 7 C -4.1565 1.3330 -0.7762 C.ar 1 UNL1 -0.2722 8 C -0.6899 0.1229 0.0116 C.ar 1 UNL1 0.0179 9 C -0.0804 -1.1306 -0.1378 C.ar 1 UNL1 -0.2406 10 C 1.3036 -1.2252 -0.1256 C.ar 1 UNL1 0.1720 11 C 2.0876 -0.0510 0.0403 C.ar 1 UNL1 0.1699 12 C 1.4800 1.1828 0.1917 C.ar 1 UNL1 -0.1955 13 C 0.0831 1.2669 0.1783 C.ar 1 UNL1 -0.1669 14 C 4.3958 0.6650 0.0522 C.3 1 UNL1 0.4666 15 O 3.4314 -0.3202 0.0519 O.3 1 UNL1 -0.3720 16 F 4.1942 1.5373 -0.9424 F 1 UNL1 -0.2274 17 F 4.3017 1.4227 1.1521 F 1 UNL1 -0.2285 18 O 2.0246 -2.3668 -0.2689 O.3 1 UNL1 -0.2698 19 C 1.2834 -3.5805 -0.3271 C.3 1 UNL1 -0.2134 20 H -4.6268 -1.2913 1.2923 H 1 UNL1 0.3432 21 H -2.1839 1.9463 -1.3598 H 1 UNL1 0.1772 22 H -4.7225 2.0773 -1.3353 H 1 UNL1 0.1928 23 H -0.7056 -2.0145 -0.2531 H 1 UNL1 0.1811 24 H 2.0486 2.1007 0.3288 H 1 UNL1 0.1822 25 H -0.3899 2.2385 0.3149 H 1 UNL1 0.1649 26 H 5.3715 0.0974 -0.0257 H 1 UNL1 0.1843 27 H 2.0850 -4.3285 -0.3992 H 1 UNL1 0.1548 28 H 0.7001 -3.7316 0.5872 H 1 UNL1 0.1408 29 H 0.6496 -3.6122 -1.2186 H 1 UNL1 0.1370 @BOND 1 21 6 1 2 22 7 1 3 29 19 1 4 16 14 1 5 6 7 ar 6 6 5 ar 7 7 2 ar 8 27 19 1 9 19 18 1 10 19 28 1 11 18 10 1 12 23 9 1 13 9 10 ar 14 9 8 ar 15 10 11 ar 16 26 14 1 17 5 8 1 18 5 4 ar 19 2 1 2 20 2 3 ar 21 8 13 ar 22 11 15 1 23 11 12 ar 24 15 14 1 25 14 17 1 26 13 12 ar 27 13 25 1 28 12 24 1 29 4 3 ar 30 3 20 1