-THY-FUL3- # only two transitions, one close to 290 nm and the the one with lowest energy around 260nm # constant moment length of 1 Angstroms 8 -0.003 -1.381 -0.005 1.00 # N1 1.220 -0.738 -0.005 1.00 # C2 2.298 -1.311 -0.015 1.00 # O2 1.136 0.640 -0.005 1.00 # N3 0.004 1.381 0.005 1.00 # C4 0.079 2.614 0.005 1.00 # O4 -1.214 0.645 0.005 1.00 # C5 -1.150 -0.688 0.005 1.00 # C6 &TRANSITION 1->... # THY-FUL3 2 39359.9174 # 254.07 nm # Transition moment 3.03, angle 15.00 to y axis -0.2588 0.9659 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -3.03067464 -0.25881905 0.96592583 0.00000000 3.03067464 2 57507.4203 # 173.89 nm # Transition moment 5.61, angle -35.00 to y axis 0.5736 0.8192 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -5.60646948 0.57357644 0.81915204 0.00000000 5.60646948 &TRANSITION 2->... # THY-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 # THY-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..