Generated by mdgx executing mdgx_fitting_bonds for 11cis/trans chromophore. MASS L 12.01 ! unique type for C LA 12.01 ! unique type for CA LB 12.01 ! unique type for CB LG 12.01 ! unique type for CG LC 12.01 ! unique type for CD LD 12.01 ! unique type for CD LE 12.01 ! unique type for CE NL 14.01 ! unique type for N NZ 14.01 ! unique type for NZ OL 16.00 ! unique type for O R1 12.01 ! unique type for C1 R2 12.01 ! unique type for C2 R3 12.01 ! unique type for C3 R4 12.01 ! unique type for C4 R5 12.01 ! unique type for C5 R6 12.01 ! unique type for C6 R7 12.01 ! unique type for C7 R8 12.01 ! unique type for C8 R9 12.01 ! unique type for C9 RA 12.01 ! unique type for C10 RB 12.01 ! unique type for C11 RC 12.01 ! unique type for C12 RD 12.01 ! unique type for C13 RE 12.01 ! unique type for C14 RF 12.01 ! unique type for C15 RG 12.01 ! unique type for C16 RH 12.01 ! unique type for C17 RI 12.01 ! unique type for C18 RJ 12.01 ! unique type for C19 RK 12.01 ! unique type for C20 BOND NL-H 428.6702 1.0040 Fit by mdgx L -HC 341.7604 1.1071 Fit by mdgx LA-H1 341.4690 1.0906 Fit by mdgx LB-HC 369.3077 1.1007 Fit by mdgx LG-HC 337.3446 1.0951 Fit by mdgx LD-HC 340.7414 1.0766 Fit by mdgx LE-HP 350.1632 1.1100 Fit by mdgx RF-HA 370.5399 1.0721 Fit by mdgx RE-HA 370.3315 1.0853 Fit by mdgx RK-HC 344.5658 1.1004 Fit by mdgx RC-HA 370.4913 1.0905 Fit by mdgx RB-HA 369.4038 1.0730 Fit by mdgx RA-HA 370.5350 1.0910 Fit by mdgx RJ-HC 355.1217 1.1072 Fit by mdgx R8-HA 363.8549 1.0816 Fit by mdgx R7-HA 364.4233 1.1070 Fit by mdgx RI-HC 323.6260 1.0983 Fit by mdgx R4-HC 319.7262 1.1071 Fit by mdgx R3-HC 337.4960 1.0938 Fit by mdgx R2-HC 338.8465 1.1153 Fit by mdgx RG-HC 347.4206 1.0918 Fit by mdgx RH-HC 341.5928 1.0949 Fit by mdgx NL-LA 329.8626 1.4461 Fit by mdgx LA-LB 288.4904 1.5162 Fit by mdgx LA-L 285.2538 1.5336 Fit by mdgx LB-LG 301.2192 1.5168 Fit by mdgx LG-LD 291.8847 1.5142 Fit by mdgx LD-LE 292.3313 1.5213 Fit by mdgx LE-NZ 339.8392 1.4532 Fit by mdgx NZ-H 428.7219 0.9797 Fit by mdgx NZ-RF 489.9861 1.3073 Fit by mdgx RF-RE 428.7718 1.3707 Fit by mdgx RE-RD 548.6335 1.3744 Fit by mdgx RD-RK 298.8064 1.4876 Fit by mdgx RD-RC 427.3170 1.4318 Fit by mdgx RC-RB 550.6112 1.3596 Fit by mdgx RB-RA 428.6166 1.3991 Fit by mdgx RA-R9 549.0277 1.3430 Fit by mdgx R9-RJ 315.6054 1.4906 Fit by mdgx R9-R8 427.0305 1.4450 Fit by mdgx R8-R7 548.1272 1.3443 Fit by mdgx R7-R6 429.1451 1.4687 Fit by mdgx R6-R5 545.1223 1.3166 Fit by mdgx R6-R1 284.8186 1.5531 Fit by mdgx R5-RI 307.2362 1.4985 Fit by mdgx R5-R4 315.5420 1.5225 Fit by mdgx R4-R3 302.0142 1.5146 Fit by mdgx R3-R2 301.4775 1.5323 Fit by mdgx R2-R1 308.9021 1.4955 Fit by mdgx R1-RG 286.7955 1.5504 Fit by mdgx R1-RH 291.4135 1.5305 Fit by mdgx L -OL 558.9349 1.2214 Fit by mdgx ANGL OL-L -HC 52.2418 120.70 Fit by mdgx NL-LA-H1 125.3337 109.50 Fit by mdgx H -NL-LA 13.0868 118.04 Fit by mdgx HC-L -LA 40.5239 109.50 Fit by mdgx LA-LB-HC 64.5874 109.50 Fit by mdgx H1-LA-LB 95.0440 109.50 Fit by mdgx H1-LA-L 56.0799 109.50 Fit by mdgx LB-LG-HC 72.7826 109.50 Fit by mdgx HC-LB-HC 31.0539 109.50 Fit by mdgx HC-LB-LG 69.8571 109.50 Fit by mdgx LG-LD-HC 62.0956 109.50 Fit by mdgx HC-LG-HC 34.1281 109.50 Fit by mdgx HC-LG-LD 77.2886 109.50 Fit by mdgx LD-LE-HP 41.8976 109.50 Fit by mdgx HC-LD-HC 26.6290 109.50 Fit by mdgx HC-LD-LE 79.0105 109.50 Fit by mdgx HP-LE-HP 42.9322 109.50 Fit by mdgx HP-LE-NZ 47.7374 109.50 Fit by mdgx NZ-RF-HA 27.4932 119.10 Fit by mdgx RF-RE-HA 30.3386 119.70 Fit by mdgx HA-RF-RE 38.3268 119.70 Fit by mdgx HA-RE-RD 24.7796 119.70 Fit by mdgx RD-RK-HC 59.5933 109.50 Fit by mdgx RD-RC-HA 17.2556 119.70 Fit by mdgx HC-RK-HC 51.4867 109.50 Fit by mdgx RC-RB-HA 29.8627 119.70 Fit by mdgx HA-RC-RB 37.6661 119.70 Fit by mdgx RB-RA-HA 55.8175 119.70 Fit by mdgx HA-RB-RA 25.4414 119.70 Fit by mdgx HA-RA-R9 24.3320 119.70 Fit by mdgx R9-RJ-HC 26.8183 109.50 Fit by mdgx R9-R8-HA 33.6086 119.70 Fit by mdgx HC-RJ-HC 30.5184 109.50 Fit by mdgx R8-R7-HA 24.8913 119.70 Fit by mdgx HA-R8-R7 49.0561 119.70 Fit by mdgx HA-R7-R6 26.9002 119.70 Fit by mdgx R5-RI-HC 21.7455 109.50 Fit by mdgx R5-R4-HC 63.9883 109.50 Fit by mdgx HC-RI-HC 41.0156 109.50 Fit by mdgx R4-R3-HC 48.8829 109.50 Fit by mdgx HC-R4-HC 38.5348 109.50 Fit by mdgx HC-R4-R3 46.8087 109.50 Fit by mdgx R3-R2-HC 68.6090 109.50 Fit by mdgx HC-R3-HC 29.8070 109.50 Fit by mdgx HC-R3-R2 32.4812 109.50 Fit by mdgx HC-R2-HC 36.4995 109.50 Fit by mdgx HC-R2-R1 49.4804 109.50 Fit by mdgx R1-RG-HC 31.5374 109.50 Fit by mdgx R1-RH-HC 45.1968 109.50 Fit by mdgx HC-RG-HC 23.9768 109.50 Fit by mdgx HC-RH-HC 12.2239 109.50 Fit by mdgx NL-LA-LB 74.6856 109.70 Fit by mdgx NL-LA-L 92.0919 110.10 Fit by mdgx LA-LB-LG 55.0359 109.50 Fit by mdgx LA-L -OL 45.1804 120.40 Fit by mdgx LB-LA-L 73.2216 111.10 Fit by mdgx LB-LG-LD 36.5207 109.50 Fit by mdgx LG-LD-LE 46.0239 109.50 Fit by mdgx LD-LE-NZ 55.6136 111.20 Fit by mdgx LE-NZ-H 18.7145 118.40 Fit by mdgx LE-NZ-RF 33.4203 123.20 Fit by mdgx NZ-RF-RE 70.0010 122.90 Fit by mdgx H -NZ-RF 31.5362 120.00 Fit by mdgx RF-RE-RD 92.4287 122.90 Fit by mdgx RE-RD-RK 62.1041 119.70 Fit by mdgx RE-RD-RC 79.4094 122.90 Fit by mdgx RD-RC-RB 87.8023 122.90 Fit by mdgx RK-RD-RC 67.3628 119.70 Fit by mdgx RC-RB-RA 68.0012 122.90 Fit by mdgx RB-RA-R9 97.2480 122.90 Fit by mdgx RA-R9-RJ 48.4179 119.70 Fit by mdgx RA-R9-R8 75.5587 122.90 Fit by mdgx R9-R8-R7 79.8826 122.90 Fit by mdgx RJ-R9-R8 68.2324 119.70 Fit by mdgx R8-R7-R6 60.4160 122.90 Fit by mdgx R7-R6-R5 85.0451 122.90 Fit by mdgx R7-R6-R1 45.8213 119.70 Fit by mdgx R6-R5-RI 34.1125 119.70 Fit by mdgx R6-R5-R4 72.3714 119.70 Fit by mdgx R6-R1-R2 58.7961 111.10 Fit by mdgx R6-R1-RG 81.7073 111.10 Fit by mdgx R6-R1-RH 61.0658 111.10 Fit by mdgx R5-R6-R1 57.0133 119.70 Fit by mdgx R5-R4-R3 65.6409 111.10 Fit by mdgx RI-R5-R4 43.5845 119.70 Fit by mdgx R4-R3-R2 35.3170 109.50 Fit by mdgx R3-R2-R1 50.4219 109.50 Fit by mdgx R2-R1-RG 51.9911 109.50 Fit by mdgx R2-R1-RH 81.7904 109.50 Fit by mdgx RG-R1-RH 66.2782 109.50 Fit by mdgx DIHE HC-L -LA-LB 1 5.30468 0.0 3.0 , Fit by mdgx HC-L -LA-H1 1 0.47809 180.0 2.0 , Fit by mdgx NL-LA-L -HC 1 5.00808 180.0 2.0 , Fit by mdgx NL-LA-LB-HC 1 2.12432 0.0 3.0 , Fit by mdgx H -NL-LA-H1 1 -3.03437 180.0 2.0 , Fit by mdgx H -NL-LA-LB 1 -1.04762 180.0 2.0 , Fit by mdgx H -NL-LA-L 1 -6.34236 180.0 2.0 , Fit by mdgx LA-LB-LG-HC 1 -0.83558 0.0 3.0 , Fit by mdgx H1-LA-LB-HC 1 -2.17802 0.0 3.0 , Fit by mdgx H1-LA-LB-LG 1 -1.97635 0.0 3.0 , Fit by mdgx H1-LA-L -OL 1 0.56338 0.0 -1.0 , Fit by mdgx H1-LA-L -OL 1 2.03567 180.0 3.0 , Fit by mdgx LB-LG-LD-HC 1 -1.68500 0.0 3.0 , Fit by mdgx HC-LB-LA-L 1 -1.13227 0.0 3.0 , Fit by mdgx HC-LB-LG-HC 1 0.20763 0.0 3.0 , Fit by mdgx HC-LB-LG-LD 1 0.57494 0.0 3.0 , Fit by mdgx LG-LD-LE-HP 1 5.37214 0.0 3.0 , Fit by mdgx HC-LG-LD-HC 1 2.46995 0.0 3.0 , Fit by mdgx HC-LG-LD-LE 1 -2.06113 0.0 3.0 , Fit by mdgx HC-LD-LE-HP 1 -1.91318 0.0 3.0 , Fit by mdgx HC-LD-LE-NZ 1 1.74557 0.0 3.0 , Fit by mdgx LE-NZ-RF-HA 1 5.65214 180.0 2.0 , Fit by mdgx HP-LE-NZ-H 1 0.52397 180.0 2.0 , Fit by mdgx HP-LE-NZ-RF 1 -0.63476 180.0 2.0 , Fit by mdgx NZ-RF-RE-HA 1 4.92550 180.0 2.0 , Fit by mdgx H -NZ-RF-HA 1 11.63575 180.0 2.0 , Fit by mdgx HA-RF-RE-HA 1 0.57584 180.0 2.0 , Fit by mdgx HA-RF-RE-RD 1 7.15621 180.0 2.0 , Fit by mdgx RE-RD-RK-HC 1 -1.02775 180.0 2.0 , Fit by mdgx RE-RD-RC-HA 1 3.05853 180.0 2.0 , Fit by mdgx HA-RE-RD-RK 1 8.70982 180.0 2.0 , Fit by mdgx HA-RE-RD-RC 1 8.90268 180.0 2.0 , Fit by mdgx RD-RC-RB-HA 1 3.93147 180.0 2.0 , Fit by mdgx RK-RD-RC-HA 1 8.75850 180.0 2.0 , Fit by mdgx HC-RK-RD-RC 1 3.70049 180.0 2.0 , Fit by mdgx RC-RB-RA-HA 1 7.77376 180.0 2.0 , Fit by mdgx HA-RC-RB-HA 1 4.14836 180.0 2.0 , Fit by mdgx HA-RC-RB-RA 1 4.50722 180.0 2.0 , Fit by mdgx HA-RB-RA-HA 1 7.00976 180.0 2.0 , Fit by mdgx HA-RB-RA-R9 1 -2.38774 180.0 2.0 , Fit by mdgx RA-R9-RJ-HC 1 0.19654 180.0 2.0 , Fit by mdgx RA-R9-R8-HA 1 -1.74301 180.0 2.0 , Fit by mdgx HA-RA-R9-RJ 1 3.25857 180.0 2.0 , Fit by mdgx HA-RA-R9-R8 1 1.20265 180.0 2.0 , Fit by mdgx R9-R8-R7-HA 1 7.47609 180.0 2.0 , Fit by mdgx RJ-R9-R8-HA 1 16.80268 180.0 2.0 , Fit by mdgx HC-RJ-R9-R8 1 0.32290 180.0 2.0 , Fit by mdgx HA-R8-R7-HA 1 21.69685 180.0 2.0 , Fit by mdgx HA-R8-R7-R6 1 6.44651 180.0 2.0 , Fit by mdgx HA-R7-R6-R5 1 0.81358 180.0 2.0 , Fit by mdgx HA-R7-R6-R1 1 2.19891 180.0 2.0 , Fit by mdgx R6-R5-RI-HC 1 0.18403 180.0 2.0 , Fit by mdgx R6-R5-R4-HC 1 -0.61033 180.0 2.0 , Fit by mdgx R6-R1-R2-HC 1 0.27232 0.0 3.0 , Fit by mdgx R6-R1-RG-HC 1 -2.32637 0.0 3.0 , Fit by mdgx R6-R1-RH-HC 1 -0.36726 0.0 3.0 , Fit by mdgx R5-R4-R3-HC 1 0.42774 0.0 3.0 , Fit by mdgx RI-R5-R4-HC 1 0.70605 180.0 2.0 , Fit by mdgx HC-RI-R5-R4 1 2.77513 180.0 2.0 , Fit by mdgx R4-R3-R2-HC 1 5.04626 0.0 3.0 , Fit by mdgx HC-R4-R3-HC 1 1.05343 0.0 3.0 , Fit by mdgx HC-R4-R3-R2 1 -2.09271 0.0 3.0 , Fit by mdgx HC-R3-R2-HC 1 -0.08517 0.0 3.0 , Fit by mdgx HC-R3-R2-R1 1 3.98231 0.0 3.0 , Fit by mdgx R2-R1-RG-HC 1 -0.51018 0.0 3.0 , Fit by mdgx R2-R1-RH-HC 1 3.14086 0.0 3.0 , Fit by mdgx HC-R2-R1-RG 1 0.07582 0.0 3.0 , Fit by mdgx HC-R2-R1-RH 1 -1.51852 0.0 3.0 , Fit by mdgx RG-R1-RH-HC 1 0.44422 0.0 3.0 , Fit by mdgx HC-RG-R1-RH 1 3.66769 0.0 3.0 , Fit by mdgx NL-LA-LB-LG 1 0.95001 0.0 3.0 , Fit by mdgx NL-LA-L -OL 1 2.73982 180.0 2.0 , Fit by mdgx LA-LB-LG-LD 1 4.73785 0.0 -3.0 , Fit by mdgx LA-LB-LG-LD 1 -0.36552 180.0 -2.0 , Fit by mdgx LA-LB-LG-LD 1 -0.37962 180.0 1.0 , Fit by mdgx LB-LA-L -OL 1 -0.33867 180.0 2.0 , Fit by mdgx LB-LG-LD-LE 1 -1.87332 0.0 -3.0 , Fit by mdgx LB-LG-LD-LE 1 4.72127 180.0 -2.0 , Fit by mdgx LB-LG-LD-LE 1 -1.47763 180.0 1.0 , Fit by mdgx LG-LB-LA-L 1 4.03442 0.0 3.0 , Fit by mdgx LG-LD-LE-NZ 1 -3.22475 0.0 3.0 , Fit by mdgx LD-LE-NZ-H 1 0.33297 180.0 2.0 , Fit by mdgx LD-LE-NZ-RF 1 -0.58654 180.0 2.0 , Fit by mdgx LE-NZ-RF-RE 1 5.96114 180.0 2.0 , Fit by mdgx NZ-RF-RE-RD 1 1.50332 180.0 2.0 , Fit by mdgx H -NZ-RF-RE 1 1.52712 180.0 2.0 , Fit by mdgx RF-RE-RD-RK 1 3.93391 180.0 2.0 , Fit by mdgx RF-RE-RD-RC 1 -1.45704 180.0 2.0 , Fit by mdgx RE-RD-RC-RB 1 3.80162 180.0 2.0 , Fit by mdgx RD-RC-RB-RA 1 5.03410 180.0 2.0 , Fit by mdgx RK-RD-RC-RB 1 0.98087 180.0 2.0 , Fit by mdgx RC-RB-RA-R9 1 9.25993 180.0 2.0 , Fit by mdgx RB-RA-R9-RJ 1 -1.45906 180.0 2.0 , Fit by mdgx RB-RA-R9-R8 1 6.60943 180.0 2.0 , Fit by mdgx RA-R9-R8-R7 1 -3.58243 180.0 2.0 , Fit by mdgx R9-R8-R7-R6 1 5.71745 180.0 2.0 , Fit by mdgx RJ-R9-R8-R7 1 30.22792 180.0 2.0 , Fit by mdgx R8-R7-R6-R5 1 1.05014 180.0 2.0 , Fit by mdgx R8-R7-R6-R1 1 1.05063 180.0 2.0 , Fit by mdgx R7-R6-R5-RI 1 16.52734 180.0 2.0 , Fit by mdgx R7-R6-R5-R4 1 4.98574 180.0 2.0 , Fit by mdgx R7-R6-R1-R2 1 -3.50505 180.0 2.0 , Fit by mdgx R7-R6-R1-RG 1 1.06578 180.0 2.0 , Fit by mdgx R7-R6-R1-RH 1 6.43411 180.0 2.0 , Fit by mdgx R6-R5-R4-R3 1 0.47121 180.0 2.0 , Fit by mdgx R6-R1-R2-R3 1 6.50165 0.0 3.0 , Fit by mdgx R5-R6-R1-R2 1 7.81720 180.0 2.0 , Fit by mdgx R5-R6-R1-RG 1 -6.02495 180.0 2.0 , Fit by mdgx R5-R6-R1-RH 1 -3.29392 180.0 2.0 , Fit by mdgx R5-R4-R3-R2 1 3.87747 0.0 3.0 , Fit by mdgx RI-R5-R6-R1 1 7.28881 180.0 2.0 , Fit by mdgx RI-R5-R4-R3 1 3.75505 180.0 2.0 , Fit by mdgx R4-R5-R6-R1 1 15.27044 180.0 2.0 , Fit by mdgx R4-R3-R2-R1 1 -4.52500 0.0 -3.0 , Fit by mdgx R4-R3-R2-R1 1 9.38420 180.0 -2.0 , Fit by mdgx R4-R3-R2-R1 1 4.42482 180.0 1.0 , Fit by mdgx R3-R2-R1-RG 1 -1.34098 0.0 -3.0 , Fit by mdgx R3-R2-R1-RG 1 0.02159 180.0 -2.0 , Fit by mdgx R3-R2-R1-RG 1 0.00101 180.0 1.0 , Fit by mdgx R3-R2-R1-RH 1 6.03687 0.0 -3.0 , Fit by mdgx R3-R2-R1-RH 1 -6.18516 180.0 -2.0 , Fit by mdgx R3-R2-R1-RH 1 4.72302 180.0 1.0 , Fit by mdgx IMPROPER NONBON NL 1.8240 0.1700 L 1.9080 0.0860 OL 1.6612 0.2100 LA 1.9080 0.1094 LB 1.9080 0.1094 LG 1.9080 0.1094 LD 1.9080 0.1094 LC 1.9080 0.1094 LE 1.9080 0.1094 NZ 1.8240 0.1700 R1 1.9080 0.1094 R2 1.9080 0.1094 R3 1.9080 0.1094 R4 1.9080 0.1094 R5 1.9080 0.0860 R6 1.9080 0.0860 R7 1.9080 0.0860 R8 1.9080 0.0860 R9 1.9080 0.0860 RA 1.9080 0.0860 RB 1.9080 0.0860 RC 1.9080 0.0860 RD 1.9080 0.0860 RE 1.9080 0.0860 RF 1.9080 0.0860 RG 1.9080 0.1094 RH 1.9080 0.1094 RI 1.9080 0.1094 RJ 1.9080 0.1094 RK 1.9080 0.1094