-GUAWFUL3- # guanine with water, only two transitions, one close to 290 nm and the the one with lowest energy around 260nm # constant moment length of 1 Angstroms 11 -2.282 0.507 -0.005 1.00 # N1 -2.190 -0.842 -0.015 1.00 # C2 -3.353 -1.511 -0.045 1.00 # N2 -1.064 -1.482 -0.025 1.00 # N3 0.001 -0.673 -0.005 1.00 # C4 0.001 0.686 0.005 1.00 # C5 -1.221 1.380 0.025 1.00 # C6 -1.409 2.589 0.045 1.00 # O6 1.310 1.072 0.025 1.00 # N7 2.074 -0.023 0.005 1.00 # C8 1.296 -1.102 -0.025 1.00 # N9 &TRANSITION 1->... # GUAWFUL3 2 38150.0800 # 262.12 nm # Transition moment 2.93, angle -4.00 to y axis 0.0698 0.9976 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -2.92991200 0.06975647 0.99756405 0.00000000 2.92991200 2 53152.0200 # 188.14 nm # Transition moment 2.71, angle -42.00 to y axis 0.6691 0.7431 0.0000 1.000 # Electr. mom., scale fac. 0.0000 0.0000 0.0000 # Magnet. mom. 0.00000000 0.00000000 0.00000000 -2.70587419 0.66913061 0.74314483 0.00000000 2.70587419 &TRANSITION 2->... # GUAWFUL3 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 # GUAWFUL3 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..