75R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAS | CAL | sing | 1.47Å | 1.49Å | |
| NAS | CAM | sing | 1.47Å | 1.48Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAN | NBD | sing | 1.47Å | 1.47Å | |
| CAM | CAO | sing | 1.53Å | 1.52Å | |
| CAO | NBD | sing | 1.47Å | 1.49Å | |
| NBD | CBA | sing | 1.39Å | 1.37Å | |
| NAR | CBA | doub | 1.32Å | 1.32Å | Aromatic |
| NAR | CAF | sing | 1.32Å | 1.31Å | Aromatic |
| CBA | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAY | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAY | sing | 1.40Å | 1.38Å | Aromatic |
| CAY | CAZ | sing | 1.48Å | 1.40Å | |
| CAZ | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAI | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CL1 | sing | 1.74Å | 1.74Å | |
| CAW | CBC | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAX | sing | 1.51Å | 1.55Å | |
| NAQ | CAX | doub | 1.32Å | 1.37Å | Aromatic |
| NAQ | CAE | sing | 1.32Å | 1.35Å | Aromatic |
| CAX | CBB | sing | 1.38Å | 1.43Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CBC | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CL2 | sing | 1.74Å | 1.73Å | |
| CBC | OAT | sing | 1.36Å | 1.36Å | |
| CAG | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CBB | CAU | doub | 1.39Å | 1.43Å | Aromatic |
| CBB | CAP | sing | 1.51Å | 1.44Å | |
| OAT | CAP | sing | 1.43Å | 1.56Å | |
| CAU | CAA | sing | 1.51Å | 1.55Å | |
| 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 | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAH | 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 | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAG | H21 | sing | 1.08Å | 1.08Å | |
| CAE | H22 | sing | 1.08Å | 1.08Å | |
| 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) |
| CAL | NAS | CAM | 111.1° | 110.9° |
| NAS | CAL | CAN | 112.1° | 109.4° |
| NAS | CAL | H3 | 108.8° | 109.5° |
| NAS | CAL | H4 | 108.8° | 109.5° |
| CAL | NAS | H5 | 109.0° | 111.0° |
| NAS | CAM | CAO | 109.3° | 109.3° |
| CAM | NAS | H5 | 109.1° | 111.0° |
| NAS | CAM | H7 | 109.5° | 109.5° |
| NAS | CAM | H8 | 109.5° | 109.5° |
| CAL | CAN | NBD | 106.2° | 109.4° |
| CAL | CAN | H1 | 110.2° | 109.5° |
| CAL | CAN | H2 | 110.3° | 109.5° |
| CAN | CAL | H3 | 108.8° | 109.5° |
| CAN | CAL | H4 | 108.8° | 109.5° |
| CAN | NBD | CAO | 118.8° | 110.9° |
| CAN | NBD | CBA | 119.2° | 111.0° |
| NBD | CAN | H1 | 110.3° | 109.5° |
| NBD | CAN | H2 | 110.3° | 109.5° |
| CAM | CAO | NBD | 106.4° | 109.4° |
| CAO | CAM | H7 | 109.5° | 109.5° |
| CAO | CAM | H8 | 109.5° | 109.5° |
| CAM | CAO | H9 | 110.2° | 109.5° |
| CAM | CAO | H10 | 110.2° | 109.5° |
| CAO | NBD | CBA | 122.0° | 111.0° |
| NBD | CAO | H9 | 110.2° | 109.5° |
| NBD | CAO | H10 | 110.2° | 109.5° |
| NBD | CBA | NAR | 115.8° | 119.7° |
| NBD | CBA | CAK | 122.7° | 119.6° |
| CBA | NAR | CAF | 120.1° | 121.9° |
| NAR | CBA | CAK | 121.5° | 120.7° |
| NAR | CAF | CAH | 122.0° | 121.0° |
| NAR | CAF | H12 | 119.0° | 119.5° |
| CBA | CAK | CAY | 119.5° | 118.9° |
| CBA | CAK | H11 | 120.3° | 120.5° |
| CAF | CAH | CAY | 119.6° | 119.2° |
| CAH | CAF | H12 | 119.0° | 119.5° |
| CAF | CAH | H13 | 120.2° | 120.4° |
| CAK | CAY | CAH | 117.3° | 118.3° |
| CAK | CAY | CAZ | 123.2° | 120.9° |
| CAY | CAK | H11 | 120.2° | 120.5° |
| CAH | CAY | CAZ | 119.5° | 120.8° |
| CAY | CAH | H13 | 120.2° | 120.4° |
| CAY | CAZ | CAJ | 123.1° | 120.0° |
| CAY | CAZ | CAI | 119.5° | 120.0° |
| CAJ | CAZ | CAI | 117.4° | 119.9° |
| CAZ | CAJ | CAW | 121.4° | 119.9° |
| CAZ | CAJ | H14 | 119.3° | 120.1° |
| CAZ | CAI | CAV | 121.9° | 120.0° |
| CAZ | CAI | H15 | 119.0° | 120.0° |
| CAJ | CAW | CL1 | 117.6° | 120.0° |
| CAJ | CAW | CBC | 120.4° | 120.0° |
| CAW | CAJ | H14 | 119.3° | 120.0° |
| CAI | CAV | CBC | 119.9° | 120.0° |
| CAI | CAV | CL2 | 117.5° | 120.0° |
| CAV | CAI | H15 | 119.1° | 120.0° |
| CL1 | CAW | CBC | 122.0° | 120.0° |
| CAW | CBC | CAV | 118.9° | 120.2° |
| CAW | CBC | OAT | 120.7° | 119.9° |
| CAB | CAX | NAQ | 117.3° | 119.6° |
| CAB | CAX | CBB | 123.5° | 119.6° |
| CAX | CAB | H23 | 109.5° | 109.5° |
| CAX | CAB | H24 | 109.5° | 109.5° |
| CAX | CAB | H25 | 109.4° | 109.5° |
| CAX | NAQ | CAE | 122.3° | 121.8° |
| NAQ | CAX | CBB | 119.2° | 120.7° |
| NAQ | CAE | CAG | 121.5° | 120.7° |
| NAQ | CAE | H22 | 119.2° | 119.7° |
| CAX | CBB | CAU | 117.7° | 119.2° |
| CAX | CBB | CAP | 122.7° | 120.4° |
| CAE | CAG | CAU | 118.5° | 119.1° |
| CAE | CAG | H21 | 120.7° | 120.4° |
| CAG | CAE | H22 | 119.2° | 119.6° |
| CBC | CAV | CL2 | 122.6° | 120.0° |
| CAV | CBC | OAT | 120.3° | 120.0° |
| CBC | OAT | CAP | 113.2° | 117.0° |
| CAG | CAU | CBB | 120.8° | 118.4° |
| CAG | CAU | CAA | 117.2° | 120.8° |
| CAU | CAG | H21 | 120.7° | 120.4° |
| CAU | CBB | CAP | 119.6° | 120.4° |
| CBB | CAU | CAA | 122.0° | 120.8° |
| CBB | CAP | OAT | 122.0° | 109.5° |
| CBB | CAP | H16 | 106.2° | 109.4° |
| CBB | CAP | H17 | 106.3° | 109.5° |
| OAT | CAP | H16 | 106.3° | 109.4° |
| OAT | CAP | H17 | 106.2° | 109.5° |
| CAU | CAA | H18 | 109.5° | 109.5° |
| CAU | CAA | H19 | 109.5° | 109.5° |
| CAU | CAA | H20 | 109.5° | 109.5° |
| H1 | CAN | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H7 | CAM | H8 | 109.5° | 109.6° |
| H9 | CAO | H10 | 109.5° | 109.5° |
| H16 | CAP | H17 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.4° |
| H18 | CAA | H20 | 109.4° | 109.5° |
| H19 | CAA | H20 | 109.4° | 109.5° |
| H23 | CAB | H24 | 109.5° | 109.5° |
| H23 | CAB | H25 | 109.5° | 109.5° |
| H24 | CAB | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | NAS | CAM | H5 | 120.2° | 123.8° |
| NAS | CAL | CAN | H3 | 120.4° | 120.0° |
| NAS | CAL | CAN | H4 | 120.4° | 120.0° |
| NAS | CAL | CAN | NBD | 51.7° | 58.4° |
| CAL | NAS | CAM | CAO | 61.4° | 59.3° |
| NAS | CAL | CAN | H1 | 67.8° | 178.3° |
| NAS | CAL | CAN | H2 | 171.2° | 61.6° |
| NAS | CAL | H3 | H4 | 118.8° | 120.0° |
| CAL | NAS | CAM | H7 | 58.6° | 179.2° |
| CAL | NAS | CAM | H8 | 178.7° | 60.7° |
| CAM | NAS | CAL | CAN | 59.2° | 59.3° |
| NAS | CAM | CAO | H7 | 120.0° | 119.9° |
| NAS | CAM | CAO | H8 | 119.9° | 120.0° |
| NAS | CAM | CAO | NBD | 57.2° | 58.4° |
| CAM | NAS | CAL | H3 | 179.6° | 179.3° |
| CAM | NAS | CAL | H4 | 61.2° | 60.7° |
| NAS | CAM | H7 | H8 | 120.1° | 120.1° |
| NAS | CAM | CAO | H9 | 176.7° | 61.6° |
| NAS | CAM | CAO | H10 | 62.4° | 178.4° |
| CAL | CAN | NBD | H1 | 119.5° | 120.0° |
| CAL | CAN | NBD | H2 | 119.5° | 119.9° |
| CAL | CAN | NBD | CAO | 54.4° | 59.3° |
| CAL | CAN | NBD | CBA | 127.6° | 176.9° |
| CAL | CAN | H1 | H2 | 121.5° | 120.1° |
| CAN | CAL | H3 | H4 | 118.8° | 120.0° |
| CAN | CAL | NAS | H5 | 179.4° | 64.6° |
| CAN | NBD | CAO | CAM | 57.9° | 59.3° |
| CAN | NBD | CAO | CBA | 178.0° | 123.8° |
| CAN | NBD | CBA | NAR | 0.0° | 0.3° |
| CAN | NBD | CBA | CAK | 178.9° | 180.0° |
| NBD | CAN | H1 | H2 | 121.5° | 120.0° |
| NBD | CAN | CAL | H3 | 172.1° | 178.4° |
| NBD | CAN | CAL | H4 | 68.6° | 61.6° |
| CAN | NBD | CAO | H9 | 177.4° | 60.7° |
| CAN | NBD | CAO | H10 | 61.6° | 179.3° |
| CAM | CAO | NBD | H9 | 119.5° | 120.0° |
| CAM | CAO | NBD | H10 | 119.5° | 120.0° |
| CAM | CAO | NBD | CBA | 124.1° | 176.8° |
| CAO | CAM | NAS | H5 | 178.4° | 64.5° |
| CAO | CAM | H7 | H8 | 120.1° | 120.1° |
| CAM | CAO | H9 | H10 | 121.4° | 120.1° |
| CAO | NBD | CBA | NAR | 177.9° | 124.1° |
| CAO | NBD | CBA | CAK | 1.0° | 56.3° |
| CAO | NBD | CAN | H1 | 65.1° | 179.3° |
| CAO | NBD | CAN | H2 | 173.8° | 60.6° |
| NBD | CAO | CAM | H7 | 62.8° | 178.3° |
| NBD | CAO | CAM | H8 | 177.1° | 61.6° |
| NBD | CAO | H9 | H10 | 121.4° | 120.0° |
| NBD | CBA | NAR | CAK | 178.9° | 179.7° |
| NBD | CBA | NAR | CAF | 179.6° | 180.0° |
| NBD | CBA | CAK | CAY | 179.5° | 179.9° |
| CBA | NBD | CAN | H1 | 112.9° | 56.8° |
| CBA | NBD | CAN | H2 | 8.1° | 63.2° |
| CBA | NBD | CAO | H9 | 4.6° | 63.2° |
| CBA | NBD | CAO | H10 | 116.4° | 56.9° |
| NBD | CBA | CAK | H11 | 0.5° | 0.1° |
| CBA | NAR | CAF | CAH | 0.5° | 0.0° |
| NAR | CBA | CAK | CAY | 0.6° | 0.3° |
| NAR | CBA | CAK | H11 | 179.4° | 179.8° |
| CBA | NAR | CAF | H12 | 179.6° | 179.9° |
| CAF | NAR | CBA | CAK | 0.7° | 0.3° |
| NAR | CAF | CAH | H12 | 180.0° | 179.9° |
| NAR | CAF | CAH | CAY | 0.2° | 0.3° |
| NAR | CAF | CAH | H13 | 179.8° | 180.0° |
| CBA | CAK | CAY | H11 | 180.0° | 179.9° |
| CBA | CAK | CAY | CAH | 0.4° | 0.0° |
| CBA | CAK | CAY | CAZ | 178.7° | 179.9° |
| CAF | CAH | CAY | CAK | 0.2° | 0.3° |
| CAF | CAH | CAY | H13 | 180.0° | 179.7° |
| CAF | CAH | CAY | CAZ | 178.6° | 179.8° |
| CAK | CAY | CAH | CAZ | 178.4° | 179.9° |
| CAK | CAY | CAZ | CAJ | 6.2° | 180.0° |
| CAK | CAY | CAZ | CAI | 171.5° | 0.3° |
| CAK | CAY | CAH | H13 | 179.8° | 180.0° |
| CAH | CAY | CAZ | CAJ | 175.5° | 0.0° |
| CAH | CAY | CAZ | CAI | 6.8° | 179.7° |
| CAH | CAY | CAK | H11 | 179.6° | 179.9° |
| CAY | CAH | CAF | H12 | 179.8° | 179.6° |
| CAY | CAZ | CAJ | CAI | 177.7° | 179.7° |
| CAY | CAZ | CAJ | CAW | 179.7° | 180.0° |
| CAY | CAZ | CAI | CAV | 179.1° | 180.0° |
| CAZ | CAY | CAK | H11 | 1.2° | 0.0° |
| CAZ | CAY | CAH | H13 | 1.4° | 0.1° |
| CAY | CAZ | CAJ | H14 | 0.4° | 0.1° |
| CAY | CAZ | CAI | H15 | 0.9° | 0.0° |
| CAZ | CAJ | CAW | H14 | 180.0° | 179.9° |
| CAJ | CAZ | CAI | CAV | 1.3° | 0.3° |
| CAZ | CAJ | CAW | CL1 | 179.1° | 180.0° |
| CAZ | CAJ | CAW | CBC | 1.4° | 0.1° |
| CAJ | CAZ | CAI | H15 | 178.7° | 179.7° |
| CAI | CAZ | CAJ | CAW | 1.9° | 0.4° |
| CAZ | CAI | CAV | H15 | 180.0° | 180.0° |
| CAZ | CAI | CAV | CBC | 0.1° | 0.1° |
| CAZ | CAI | CAV | CL2 | 179.1° | 180.0° |
| CAI | CAZ | CAJ | H14 | 178.1° | 179.8° |
| CAJ | CAW | CL1 | CBC | 179.5° | 179.9° |
| CAJ | CAW | CBC | CAV | 0.2° | 0.2° |
| CAJ | CAW | CBC | OAT | 178.3° | 180.0° |
| CAI | CAV | CBC | CAW | 0.4° | 0.2° |
| CAI | CAV | CBC | CL2 | 179.1° | 180.0° |
| CAI | CAV | CBC | OAT | 178.9° | 180.0° |
| CL1 | CAW | CBC | CAV | 179.7° | 179.7° |
| CL1 | CAW | CBC | OAT | 1.2° | 0.1° |
| CL1 | CAW | CAJ | H14 | 0.9° | 0.1° |
| CAW | CBC | CAV | OAT | 178.5° | 179.8° |
| CAW | CBC | CAV | CL2 | 179.6° | 179.8° |
| CAW | CBC | OAT | CAP | 100.7° | 90.1° |
| CBC | CAW | CAJ | H14 | 178.6° | 180.0° |
| CAB | CAX | NAQ | CBB | 178.6° | 179.5° |
| CAB | CAX | NAQ | CAE | 179.7° | 180.0° |
| CAB | CAX | CBB | CAU | 179.8° | 179.9° |
| CAB | CAX | CBB | CAP | 1.3° | 0.3° |
| CAX | CAB | H23 | H24 | 120.0° | 120.0° |
| CAX | CAB | H23 | H25 | 120.0° | 120.0° |
| CAX | CAB | H24 | H25 | 120.0° | 120.0° |
| CAX | NAQ | CAE | CAG | 0.3° | 0.3° |
| NAQ | CAX | CBB | CAU | 1.2° | 0.5° |
| NAQ | CAX | CBB | CAP | 177.2° | 179.7° |
| CAX | NAQ | CAE | H22 | 179.7° | 179.7° |
| NAQ | CAX | CAB | H23 | 0.0° | 90.0° |
| NAQ | CAX | CAB | H24 | 120.0° | 150.0° |
| NAQ | CAX | CAB | H25 | 120.0° | 30.0° |
| CAE | NAQ | CAX | CBB | 1.0° | 0.5° |
| NAQ | CAE | CAG | H22 | 180.0° | 180.0° |
| NAQ | CAE | CAG | CAU | 0.3° | 0.0° |
| NAQ | CAE | CAG | H21 | 179.8° | 180.0° |
| CAX | CBB | CAU | CAG | 0.8° | 0.2° |
| CAX | CBB | CAU | CAP | 178.5° | 179.8° |
| CAX | CBB | CAP | OAT | 92.7° | 90.3° |
| CAX | CBB | CAU | CAA | 179.8° | 179.7° |
| CAX | CBB | CAP | H16 | 145.6° | 149.8° |
| CAX | CBB | CAP | H17 | 29.0° | 29.8° |
| CBB | CAX | CAB | H23 | 178.6° | 90.5° |
| CBB | CAX | CAB | H24 | 58.6° | 29.4° |
| CBB | CAX | CAB | H25 | 61.4° | 149.5° |
| CAE | CAG | CAU | H21 | 180.0° | 180.0° |
| CAE | CAG | CAU | CBB | 0.0° | 0.0° |
| CAE | CAG | CAU | CAA | 179.4° | 180.0° |
| CAV | CBC | OAT | CAP | 77.8° | 89.7° |
| CBC | CAV | CAI | H15 | 179.9° | 180.0° |
| CL2 | CAV | CBC | OAT | 1.9° | 0.0° |
| CL2 | CAV | CAI | H15 | 0.9° | 0.0° |
| CBC | OAT | CAP | CBB | 73.2° | 180.0° |
| CBC | OAT | CAP | H16 | 165.0° | 60.1° |
| CBC | OAT | CAP | H17 | 48.5° | 60.0° |
| CAG | CAU | CBB | CAA | 179.4° | 179.9° |
| CAG | CAU | CBB | CAP | 177.8° | 180.0° |
| CAG | CAU | CAA | H18 | 90.2° | 89.9° |
| CAG | CAU | CAA | H19 | 149.7° | 30.0° |
| CAG | CAU | CAA | H20 | 29.7° | 150.0° |
| CAU | CAG | CAE | H22 | 179.8° | 180.0° |
| CAU | CBB | CAP | OAT | 85.8° | 90.0° |
| CAU | CBB | CAP | H16 | 36.0° | 30.0° |
| CAU | CBB | CAP | H17 | 152.5° | 150.0° |
| CBB | CAU | CAA | H18 | 90.3° | 90.0° |
| CBB | CAU | CAA | H19 | 29.7° | 150.0° |
| CBB | CAU | CAA | H20 | 149.7° | 30.0° |
| CBB | CAU | CAG | H21 | 180.0° | 180.0° |
| CBB | CAP | OAT | H16 | 121.7° | 120.0° |
| CBB | CAP | OAT | H17 | 121.8° | 120.0° |
| CAP | CBB | CAU | CAA | 1.6° | 0.0° |
| CBB | CAP | H16 | H17 | 114.4° | 120.0° |
| OAT | CAP | H16 | H17 | 114.3° | 120.0° |
| CAU | CAA | H18 | H19 | 120.0° | 120.0° |
| CAU | CAA | H18 | H20 | 120.0° | 120.0° |
| CAU | CAA | H19 | H20 | 120.0° | 120.0° |
| CAA | CAU | CAG | H21 | 0.5° | 0.0° |
| H1 | CAN | CAL | H3 | 52.6° | 61.7° |
| H1 | CAN | CAL | H4 | 171.8° | 58.4° |
| H2 | CAN | CAL | H3 | 68.4° | 58.4° |
| H2 | CAN | CAL | H4 | 50.9° | 178.5° |
| H3 | CAL | NAS | H5 | 60.2° | 55.4° |
| H4 | CAL | NAS | H5 | 59.1° | 175.5° |
| H5 | NAS | CAM | H7 | 61.6° | 55.4° |
| H5 | NAS | CAM | H8 | 58.5° | 175.5° |
| H7 | CAM | CAO | H9 | 56.7° | 58.3° |
| H7 | CAM | CAO | H10 | 177.6° | 61.7° |
| H8 | CAM | CAO | H9 | 63.4° | 178.5° |
| H8 | CAM | CAO | H10 | 57.6° | 58.4° |
| H12 | CAF | CAH | H13 | 0.2° | 0.1° |
| H18 | CAA | H19 | H20 | 120.0° | 120.0° |
| H21 | CAG | CAE | H22 | 0.2° | 0.0° |
| H23 | CAB | H24 | H25 | 120.0° | 120.0° |
