75Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAX | sing | 1.51Å | 1.53Å | |
| CAP | OAT | sing | 1.43Å | 1.50Å | |
| CAP | CBA | sing | 1.51Å | 1.43Å | |
| OAT | CBC | sing | 1.36Å | 1.38Å | |
| CAX | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | NAR | sing | 1.32Å | 1.35Å | Aromatic |
| CL2 | CAV | sing | 1.73Å | 1.76Å | |
| CBA | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| NAR | CAU | doub | 1.32Å | 1.33Å | Aromatic |
| CBC | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CBC | CAW | sing | 1.39Å | 1.42Å | Aromatic |
| CAV | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.38Å | Aromatic |
| CL1 | CAW | sing | 1.74Å | 1.71Å | |
| CAW | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAA | sing | 1.51Å | 1.53Å | |
| CAI | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAY | sing | 1.48Å | 1.38Å | |
| CAY | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAY | CAK | sing | 1.40Å | 1.35Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | CBB | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | NAQ | doub | 1.32Å | 1.30Å | Aromatic |
| CBB | NAQ | sing | 1.32Å | 1.33Å | Aromatic |
| CBB | NBD | sing | 1.39Å | 1.38Å | |
| CAN | NBD | sing | 1.47Å | 1.47Å | |
| CAN | CAL | sing | 1.53Å | 1.50Å | |
| NBD | CAO | sing | 1.47Å | 1.47Å | |
| CAL | NAS | sing | 1.47Å | 1.46Å | |
| CAO | CAM | sing | 1.53Å | 1.52Å | |
| NAS | CAM | sing | 1.47Å | 1.47Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| NAS | H5 | sing | 1.01Å | 1.00Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAI | H15 | sing | 1.08Å | 1.08Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAB | H23 | sing | 1.09Å | 1.10Å | |
| CAB | H24 | sing | 1.09Å | 1.10Å | |
| CAB | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAX | CBA | 120.0° | 119.7° |
| CAB | CAX | NAR | 119.6° | 119.6° |
| CAX | CAB | H23 | 109.5° | 109.5° |
| CAX | CAB | H24 | 109.5° | 109.5° |
| CAX | CAB | H25 | 109.5° | 109.4° |
| OAT | CAP | CBA | 119.4° | 109.5° |
| CAP | OAT | CBC | 103.9° | 117.0° |
| OAT | CAP | H16 | 106.9° | 109.5° |
| OAT | CAP | H17 | 106.9° | 109.5° |
| CAP | CBA | CAX | 121.7° | 120.4° |
| CAP | CBA | CAH | 120.2° | 120.4° |
| CBA | CAP | H16 | 106.9° | 109.4° |
| CBA | CAP | H17 | 106.9° | 109.5° |
| OAT | CBC | CAV | 120.9° | 119.9° |
| OAT | CBC | CAW | 119.3° | 119.9° |
| CBA | CAX | NAR | 120.4° | 120.8° |
| CAX | CBA | CAH | 118.1° | 119.2° |
| CAX | NAR | CAU | 121.8° | 121.7° |
| CL2 | CAV | CBC | 123.3° | 120.0° |
| CL2 | CAV | CAI | 116.3° | 120.0° |
| CBA | CAH | CAG | 120.6° | 118.4° |
| CBA | CAH | H18 | 119.7° | 120.8° |
| NAR | CAU | CAG | 120.5° | 120.8° |
| NAR | CAU | CAA | 121.1° | 119.6° |
| CAV | CBC | CAW | 119.5° | 120.1° |
| CBC | CAV | CAI | 120.4° | 120.0° |
| CBC | CAW | CL1 | 123.8° | 120.0° |
| CBC | CAW | CAJ | 119.3° | 120.1° |
| CAV | CAI | CAZ | 120.3° | 119.9° |
| CAV | CAI | H15 | 119.8° | 120.0° |
| CAH | CAG | CAU | 118.5° | 119.2° |
| CAG | CAH | H18 | 119.7° | 120.8° |
| CAH | CAG | H19 | 120.7° | 120.4° |
| CL1 | CAW | CAJ | 116.7° | 120.0° |
| CAW | CAJ | CAZ | 120.2° | 119.9° |
| CAW | CAJ | H14 | 119.9° | 120.0° |
| CAG | CAU | CAA | 118.5° | 119.6° |
| CAU | CAG | H19 | 120.8° | 120.4° |
| CAU | CAA | H20 | 109.5° | 109.5° |
| CAU | CAA | H21 | 109.5° | 109.4° |
| CAU | CAA | H22 | 109.5° | 109.4° |
| CAI | CAZ | CAJ | 120.1° | 119.9° |
| CAI | CAZ | CAY | 118.3° | 120.1° |
| CAZ | CAI | H15 | 119.8° | 120.1° |
| CAJ | CAZ | CAY | 121.4° | 120.0° |
| CAZ | CAJ | H14 | 119.9° | 120.1° |
| CAZ | CAY | CAF | 117.3° | 120.9° |
| CAZ | CAY | CAK | 122.8° | 120.8° |
| CAF | CAY | CAK | 119.5° | 118.3° |
| CAY | CAF | CAE | 118.8° | 119.2° |
| CAY | CAF | H13 | 120.6° | 120.4° |
| CAY | CAK | CBB | 118.0° | 118.9° |
| CAY | CAK | H11 | 121.0° | 120.5° |
| CAF | CAE | NAQ | 121.6° | 121.0° |
| CAF | CAE | H12 | 119.2° | 119.5° |
| CAE | CAF | H13 | 120.6° | 120.4° |
| CAK | CBB | NAQ | 121.2° | 120.7° |
| CAK | CBB | NBD | 122.4° | 119.6° |
| CBB | CAK | H11 | 121.0° | 120.5° |
| CAE | NAQ | CBB | 120.4° | 121.9° |
| NAQ | CAE | H12 | 119.2° | 119.5° |
| NAQ | CBB | NBD | 116.0° | 119.7° |
| CBB | NBD | CAN | 125.0° | 111.0° |
| CBB | NBD | CAO | 118.2° | 111.0° |
| NBD | CAN | CAL | 108.6° | 109.4° |
| CAN | NBD | CAO | 114.7° | 110.9° |
| NBD | CAN | H1 | 109.7° | 109.5° |
| NBD | CAN | H2 | 109.7° | 109.5° |
| CAN | CAL | NAS | 115.3° | 109.4° |
| CAL | CAN | H1 | 109.7° | 109.5° |
| CAL | CAN | H2 | 109.7° | 109.5° |
| CAN | CAL | H3 | 108.0° | 109.5° |
| CAN | CAL | H4 | 108.0° | 109.5° |
| NBD | CAO | CAM | 110.8° | 109.4° |
| NBD | CAO | H9 | 109.1° | 109.5° |
| NBD | CAO | H10 | 109.2° | 109.6° |
| CAL | NAS | CAM | 106.6° | 110.9° |
| NAS | CAL | H3 | 108.0° | 109.5° |
| NAS | CAL | H4 | 108.0° | 109.5° |
| CAL | NAS | H5 | 110.2° | 111.0° |
| CAO | CAM | NAS | 114.1° | 109.4° |
| CAO | CAM | H7 | 108.3° | 109.5° |
| CAO | CAM | H8 | 108.3° | 109.5° |
| CAM | CAO | H9 | 109.2° | 109.4° |
| CAM | CAO | H10 | 109.1° | 109.5° |
| CAM | NAS | H5 | 110.2° | 111.0° |
| NAS | CAM | H7 | 108.3° | 109.5° |
| NAS | CAM | H8 | 108.3° | 109.4° |
| H1 | CAN | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H7 | CAM | H8 | 109.5° | 109.5° |
| H9 | CAO | H10 | 109.4° | 109.5° |
| H16 | CAP | H17 | 109.5° | 109.4° |
| H20 | CAA | H21 | 109.4° | 109.5° |
| H20 | CAA | H22 | 109.5° | 109.5° |
| H21 | CAA | H22 | 109.5° | 109.5° |
| H23 | CAB | H24 | 109.5° | 109.5° |
| H23 | CAB | H25 | 109.5° | 109.4° |
| H24 | CAB | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAX | CBA | CAP | 1.2° | 0.0° |
| CAB | CAX | CBA | NAR | 178.3° | 179.7° |
| CAB | CAX | CBA | CAH | 177.9° | 179.7° |
| CAB | CAX | NAR | CAU | 179.3° | 179.7° |
| CAX | CAB | H23 | H24 | 120.0° | 120.1° |
| CAX | CAB | H23 | H25 | 120.0° | 119.9° |
| CAX | CAB | H24 | H25 | 120.0° | 120.0° |
| OAT | CAP | CBA | H16 | 121.4° | 120.0° |
| OAT | CAP | CBA | H17 | 121.4° | 120.1° |
| OAT | CAP | CBA | CAX | 91.5° | 179.7° |
| OAT | CAP | CBA | CAH | 89.4° | 0.0° |
| CAP | OAT | CBC | CAV | 72.2° | 90.0° |
| CAP | OAT | CBC | CAW | 101.3° | 90.2° |
| OAT | CAP | H16 | H17 | 115.5° | 120.0° |
| CBA | CAP | OAT | CBC | 49.9° | 180.0° |
| CAP | CBA | CAX | CAH | 179.0° | 179.7° |
| CAP | CBA | CAX | NAR | 179.5° | 179.7° |
| CAP | CBA | CAH | CAG | 178.1° | 180.0° |
| CBA | CAP | H16 | H17 | 115.5° | 120.0° |
| CAP | CBA | CAH | H18 | 2.0° | 0.1° |
| OAT | CBC | CAV | CL2 | 3.8° | 0.0° |
| OAT | CBC | CAV | CAW | 173.5° | 179.8° |
| OAT | CBC | CAV | CAI | 175.9° | 180.0° |
| OAT | CBC | CAW | CL1 | 6.8° | 0.0° |
| OAT | CBC | CAW | CAJ | 178.2° | 180.0° |
| CBC | OAT | CAP | H16 | 71.5° | 60.0° |
| CBC | OAT | CAP | H17 | 171.3° | 60.0° |
| CBA | CAX | NAR | CAU | 1.0° | 0.6° |
| CAX | CBA | CAH | CAG | 2.9° | 0.3° |
| CAX | CBA | CAP | H16 | 147.1° | 59.7° |
| CAX | CBA | CAP | H17 | 29.9° | 60.2° |
| CAX | CBA | CAH | H18 | 177.1° | 179.8° |
| CBA | CAX | CAB | H23 | 178.3° | 89.9° |
| CBA | CAX | CAB | H24 | 58.3° | 150.0° |
| CBA | CAX | CAB | H25 | 61.7° | 30.0° |
| NAR | CAX | CBA | CAH | 0.5° | 0.6° |
| CAX | NAR | CAU | CAG | 0.1° | 0.3° |
| CAX | NAR | CAU | CAA | 179.3° | 179.7° |
| NAR | CAX | CAB | H23 | 0.0° | 89.8° |
| NAR | CAX | CAB | H24 | 120.0° | 30.3° |
| NAR | CAX | CAB | H25 | 120.0° | 150.3° |
| CL2 | CAV | CBC | CAI | 179.7° | 180.0° |
| CL2 | CAV | CBC | CAW | 177.3° | 179.8° |
| CL2 | CAV | CAI | CAZ | 178.9° | 180.0° |
| CL2 | CAV | CAI | H15 | 1.1° | 0.1° |
| CBA | CAH | CAG | H18 | 180.0° | 179.9° |
| CBA | CAH | CAG | CAU | 3.8° | 0.1° |
| CAH | CBA | CAP | H16 | 32.0° | 120.0° |
| CAH | CBA | CAP | H17 | 149.1° | 120.1° |
| CBA | CAH | CAG | H19 | 176.3° | 180.0° |
| NAR | CAU | CAG | CAH | 2.3° | 0.0° |
| NAR | CAU | CAG | CAA | 179.4° | 180.0° |
| NAR | CAU | CAG | H19 | 177.7° | 180.0° |
| NAR | CAU | CAA | H20 | 0.0° | 90.0° |
| NAR | CAU | CAA | H21 | 120.0° | 30.1° |
| NAR | CAU | CAA | H22 | 120.0° | 150.0° |
| CAV | CBC | CAW | CL1 | 179.6° | 179.8° |
| CAV | CBC | CAW | CAJ | 4.6° | 0.2° |
| CBC | CAV | CAI | CAZ | 1.4° | 0.0° |
| CBC | CAV | CAI | H15 | 178.6° | 179.9° |
| CAW | CBC | CAV | CAI | 2.4° | 0.3° |
| CBC | CAW | CL1 | CAJ | 175.1° | 180.0° |
| CBC | CAW | CAJ | CAZ | 3.1° | 0.0° |
| CBC | CAW | CAJ | H14 | 177.0° | 180.0° |
| CAV | CAI | CAZ | H15 | 180.0° | 179.9° |
| CAV | CAI | CAZ | CAJ | 3.0° | 0.2° |
| CAV | CAI | CAZ | CAY | 177.8° | 180.0° |
| CAH | CAG | CAU | H19 | 180.0° | 180.0° |
| CAH | CAG | CAU | CAA | 178.3° | 179.9° |
| CL1 | CAW | CAJ | CAZ | 178.4° | 180.0° |
| CL1 | CAW | CAJ | H14 | 1.6° | 0.0° |
| CAW | CAJ | CAZ | CAI | 0.7° | 0.2° |
| CAW | CAJ | CAZ | H14 | 180.0° | 180.0° |
| CAW | CAJ | CAZ | CAY | 175.3° | 180.0° |
| CAU | CAG | CAH | H18 | 176.2° | 180.0° |
| CAG | CAU | CAA | H20 | 179.3° | 90.0° |
| CAG | CAU | CAA | H21 | 59.4° | 150.0° |
| CAG | CAU | CAA | H22 | 60.6° | 30.0° |
| CAA | CAU | CAG | H19 | 1.6° | 0.0° |
| CAU | CAA | H20 | H21 | 120.0° | 120.0° |
| CAU | CAA | H20 | H22 | 120.0° | 120.0° |
| CAU | CAA | H21 | H22 | 120.0° | 119.9° |
| CAI | CAZ | CAJ | CAY | 174.6° | 179.8° |
| CAI | CAZ | CAY | CAF | 23.3° | 179.7° |
| CAI | CAZ | CAY | CAK | 164.5° | 0.5° |
| CAI | CAZ | CAJ | H14 | 179.3° | 179.8° |
| CAJ | CAZ | CAY | CAF | 151.4° | 0.0° |
| CAJ | CAZ | CAY | CAK | 20.8° | 179.2° |
| CAJ | CAZ | CAI | H15 | 177.0° | 179.7° |
| CAZ | CAY | CAF | CAK | 172.5° | 179.2° |
| CAZ | CAY | CAF | CAE | 177.4° | 180.0° |
| CAZ | CAY | CAK | CBB | 179.1° | 179.7° |
| CAZ | CAY | CAK | H11 | 0.8° | 0.2° |
| CAZ | CAY | CAF | H13 | 2.6° | 0.6° |
| CAY | CAZ | CAJ | H14 | 4.7° | 0.0° |
| CAY | CAZ | CAI | H15 | 2.2° | 0.1° |
| CAY | CAF | CAE | H13 | 180.0° | 179.4° |
| CAF | CAY | CAK | CBB | 7.1° | 0.5° |
| CAY | CAF | CAE | NAQ | 3.6° | 0.6° |
| CAF | CAY | CAK | H11 | 172.9° | 179.4° |
| CAY | CAF | CAE | H12 | 176.4° | 179.5° |
| CAK | CAY | CAF | CAE | 5.0° | 0.8° |
| CAY | CAK | CBB | H11 | 180.0° | 180.0° |
| CAY | CAK | CBB | NAQ | 8.2° | 0.0° |
| CAY | CAK | CBB | NBD | 179.0° | 179.7° |
| CAK | CAY | CAF | H13 | 175.0° | 179.8° |
| CAF | CAE | NAQ | H12 | 180.0° | 179.9° |
| CAF | CAE | NAQ | CBB | 4.6° | 0.1° |
| CAK | CBB | NAQ | CAE | 7.0° | 0.2° |
| CAK | CBB | NAQ | NBD | 173.2° | 179.8° |
| CAK | CBB | NBD | CAN | 0.5° | 179.8° |
| CAK | CBB | NBD | CAO | 162.9° | 56.4° |
| CAE | NAQ | CBB | NBD | 179.8° | 180.0° |
| NAQ | CAE | CAF | H13 | 176.4° | 179.9° |
| NAQ | CBB | NBD | CAN | 172.6° | 0.0° |
| NAQ | CBB | NBD | CAO | 10.3° | 123.8° |
| NAQ | CBB | CAK | H11 | 171.8° | 179.9° |
| CBB | NAQ | CAE | H12 | 175.4° | 180.0° |
| CBB | NBD | CAN | CAO | 162.9° | 123.9° |
| CBB | NBD | CAN | CAL | 146.2° | 176.8° |
| CBB | NBD | CAO | CAM | 146.3° | 176.8° |
| CBB | NBD | CAN | H1 | 94.0° | 56.9° |
| CBB | NBD | CAN | H2 | 26.3° | 63.2° |
| CBB | NBD | CAO | H9 | 26.0° | 63.3° |
| CBB | NBD | CAO | H10 | 93.5° | 56.8° |
| NBD | CBB | CAK | H11 | 1.0° | 0.3° |
| NBD | CAN | CAL | H1 | 119.9° | 120.0° |
| NBD | CAN | CAL | H2 | 119.8° | 120.0° |
| NBD | CAN | CAL | NAS | 57.1° | 58.4° |
| CAN | NBD | CAO | CAM | 49.6° | 59.3° |
| NBD | CAN | H1 | H2 | 120.4° | 120.1° |
| NBD | CAN | CAL | H3 | 177.9° | 178.4° |
| NBD | CAN | CAL | H4 | 63.8° | 61.5° |
| CAN | NBD | CAO | H9 | 169.8° | 60.6° |
| CAN | NBD | CAO | H10 | 70.6° | 179.3° |
| CAL | CAN | NBD | CAO | 50.9° | 59.3° |
| CAN | CAL | NAS | H3 | 120.9° | 120.0° |
| CAN | CAL | NAS | H4 | 120.9° | 119.9° |
| CAN | CAL | NAS | CAM | 58.8° | 59.3° |
| CAL | CAN | H1 | H2 | 120.4° | 120.0° |
| CAN | CAL | H3 | H4 | 117.3° | 120.0° |
| CAN | CAL | NAS | H5 | 60.7° | 64.5° |
| NBD | CAO | CAM | H9 | 120.2° | 119.9° |
| NBD | CAO | CAM | H10 | 120.2° | 120.1° |
| NBD | CAO | CAM | NAS | 52.4° | 58.3° |
| CAO | NBD | CAN | H1 | 68.9° | 179.3° |
| CAO | NBD | CAN | H2 | 170.8° | 60.7° |
| NBD | CAO | CAM | H7 | 68.3° | 178.4° |
| NBD | CAO | CAM | H8 | 173.1° | 61.6° |
| NBD | CAO | H9 | H10 | 119.4° | 120.1° |
| CAL | NAS | CAM | CAO | 55.4° | 59.3° |
| CAL | NAS | CAM | H5 | 119.6° | 123.9° |
| NAS | CAL | CAN | H1 | 62.8° | 178.4° |
| NAS | CAL | CAN | H2 | 176.9° | 61.6° |
| NAS | CAL | H3 | H4 | 117.3° | 120.1° |
| CAL | NAS | CAM | H7 | 65.3° | 179.3° |
| CAL | NAS | CAM | H8 | 176.1° | 60.7° |
| CAO | CAM | NAS | H7 | 120.7° | 120.0° |
| CAO | CAM | NAS | H8 | 120.7° | 119.9° |
| CAO | CAM | NAS | H5 | 64.2° | 64.6° |
| CAO | CAM | H7 | H8 | 117.9° | 120.0° |
| CAM | CAO | H9 | H10 | 119.4° | 120.0° |
| CAM | NAS | CAL | H3 | 179.7° | 179.3° |
| CAM | NAS | CAL | H4 | 62.0° | 60.6° |
| NAS | CAM | H7 | H8 | 117.8° | 120.0° |
| NAS | CAM | CAO | H9 | 172.6° | 61.6° |
| NAS | CAM | CAO | H10 | 67.8° | 178.4° |
| H1 | CAN | CAL | H3 | 58.0° | 61.6° |
| H1 | CAN | CAL | H4 | 176.3° | 58.5° |
| H2 | CAN | CAL | H3 | 62.3° | 58.4° |
| H2 | CAN | CAL | H4 | 56.0° | 178.5° |
| H3 | CAL | NAS | H5 | 60.2° | 55.4° |
| H4 | CAL | NAS | H5 | 178.4° | 175.5° |
| H5 | NAS | CAM | H7 | 175.1° | 55.4° |
| H5 | NAS | CAM | H8 | 56.5° | 175.5° |
| H7 | CAM | CAO | H9 | 51.9° | 58.5° |
| H7 | CAM | CAO | H10 | 171.5° | 61.5° |
| H8 | CAM | CAO | H9 | 66.8° | 178.5° |
| H8 | CAM | CAO | H10 | 52.8° | 58.5° |
| H12 | CAE | CAF | H13 | 3.6° | 0.1° |
| H18 | CAH | CAG | H19 | 3.8° | 0.1° |
| H20 | CAA | H21 | H22 | 120.0° | 120.1° |
| H23 | CAB | H24 | H25 | 120.0° | 120.0° |
