-ADE-FUL3- # only two transitions, one close to 290 nm and the the one with lowest energy around 260nm # constant moment length of 1 Angstroms 10 -2.334 0.529 0.000 1.00 # N1 -2.146 -0.827 0.000 1.00 # C2 -1.066 -1.501 0.000 1.00 # N3 -0.000 -0.684 0.000 1.00 # C4 0.000 0.684 0.000 1.00 # C5 -1.242 1.308 0.000 1.00 # C6 -1.390 2.631 0.000 1.00 # N6 1.278 1.174 0.000 1.00 # N7 2.053 0.073 0.000 1.00 # C8 1.342 -1.056 0.000 1.00 # N9 &TRANSITION 1->... # ADE-FUL3 2 41376.3066 # 241.68 nm # Transition moment 1.90, angle 23.00 to y axis -0.3907 0.9205 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -1.89677188 -0.39073113 0.92050485 0.00000000 1.89677188 2 50329.0747 # 198.69 nm # Transition moment 6.00, angle -57.00 to y axis 0.8387 0.5446 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -5.99649188 0.83867057 0.54463904 0.00000000 5.99649188 &TRANSITION 2->... # ADE-FUL3 0 00000.0000 # 0.0000 0.0000 0.0000 1.000 # electr. mom., scale fac.. 0.0000 0.0000 0.0000 # magnet. mom. &PERMANENT MOMENTS # ADE-FUL3 0 00000.0000 # 0.0000 0.0000 0.0000 1.000 # electr. mom., scale fac.. 0 00000.0000 # 0.0000 0.0000 0.0000 1.000 # electr. mom., scale fac..