WRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CBB | sing | 1.53Å | 1.53Å | |
| CAA | CBB | sing | 1.53Å | 1.55Å | |
| CAB | CBB | sing | 1.53Å | 1.56Å | |
| OAF | NAQ | sing | 1.42Å | 1.41Å | |
| CBB | CAP | sing | 1.53Å | 1.58Å | |
| NAQ | C | sing | 1.35Å | 1.31Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CAP | CAS | sing | 1.51Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CAS | N | sing | 1.35Å | 1.33Å | |
| CAS | OAD | doub | 1.21Å | 1.21Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | CAY | sing | 1.51Å | 1.42Å | |
| CAY | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.43Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAW | sing | 1.39Å | 1.44Å | Aromatic |
| CAW | CAX | sing | 1.48Å | 1.42Å | |
| CAX | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAO | sing | 1.39Å | 1.43Å | Aromatic |
| CAN | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAV | doub | 1.38Å | 1.37Å | Aromatic |
| CAU | FAG | sing | 1.35Å | 1.31Å | |
| CAU | CAZ | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAZ | sing | 1.39Å | 1.35Å | Aromatic |
| CAV | FAH | sing | 1.35Å | 1.40Å | |
| CAZ | FAI | sing | 1.35Å | 1.38Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| OAF | H15 | sing | 0.97Å | 0.95Å | |
| CAM | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| CAJ | H19 | sing | 1.08Å | 1.08Å | |
| CAN | H20 | sing | 1.08Å | 1.08Å | |
| CAO | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CBB | CAA | 104.2° | 109.5° |
| CAC | CBB | CAB | 108.8° | 109.4° |
| CAC | CBB | CAP | 111.4° | 109.5° |
| CBB | CAC | H7 | 109.5° | 109.4° |
| CBB | CAC | H8 | 109.5° | 109.5° |
| CBB | CAC | H9 | 109.5° | 109.5° |
| CAA | CBB | CAB | 111.9° | 109.4° |
| CAA | CBB | CAP | 116.1° | 109.5° |
| CBB | CAA | H1 | 109.5° | 109.4° |
| CBB | CAA | H2 | 109.4° | 109.5° |
| CBB | CAA | H3 | 109.4° | 109.4° |
| CAB | CBB | CAP | 104.5° | 109.5° |
| CBB | CAB | H4 | 109.5° | 109.5° |
| CBB | CAB | H5 | 109.4° | 109.5° |
| CBB | CAB | H6 | 109.4° | 109.5° |
| OAF | NAQ | C | 115.4° | 120.0° |
| OAF | NAQ | H14 | 122.3° | 119.9° |
| NAQ | OAF | H15 | 109.5° | 114.0° |
| CBB | CAP | CAS | 108.7° | 109.5° |
| CBB | CAP | H10 | 109.7° | 109.5° |
| CBB | CAP | H11 | 109.7° | 109.4° |
| NAQ | C | O | 120.5° | 120.0° |
| NAQ | C | CA | 114.4° | 120.0° |
| C | NAQ | H14 | 122.3° | 120.0° |
| O | C | CA | 124.8° | 120.1° |
| CAP | CAS | N | 115.9° | 120.0° |
| CAP | CAS | OAD | 121.0° | 120.0° |
| CAS | CAP | H10 | 109.7° | 109.5° |
| CAS | CAP | H11 | 109.6° | 109.5° |
| C | CA | N | 105.6° | 109.5° |
| C | CA | CAY | 116.3° | 109.5° |
| C | CA | H13 | 104.9° | 109.5° |
| N | CAS | OAD | 123.1° | 120.0° |
| CAS | N | CA | 122.5° | 120.0° |
| CAS | N | H12 | 118.7° | 120.0° |
| N | CA | CAY | 117.8° | 109.5° |
| CA | N | H12 | 118.8° | 120.0° |
| N | CA | H13 | 105.0° | 109.5° |
| CA | CAY | CAM | 112.5° | 119.9° |
| CA | CAY | CAL | 125.1° | 119.9° |
| CAY | CA | H13 | 105.8° | 109.5° |
| CAM | CAY | CAL | 122.3° | 120.2° |
| CAY | CAM | CAK | 116.6° | 120.1° |
| CAY | CAM | H16 | 121.7° | 119.9° |
| CAY | CAL | CAJ | 121.6° | 120.1° |
| CAY | CAL | H18 | 119.2° | 120.0° |
| CAM | CAK | CAW | 121.7° | 119.9° |
| CAK | CAM | H16 | 121.7° | 119.9° |
| CAM | CAK | H17 | 119.1° | 120.1° |
| CAL | CAJ | CAW | 117.6° | 119.9° |
| CAJ | CAL | H18 | 119.2° | 120.0° |
| CAL | CAJ | H19 | 121.2° | 120.0° |
| CAK | CAW | CAJ | 120.1° | 119.7° |
| CAK | CAW | CAX | 119.2° | 120.2° |
| CAW | CAK | H17 | 119.2° | 120.0° |
| CAJ | CAW | CAX | 120.4° | 120.1° |
| CAW | CAJ | H19 | 121.2° | 120.1° |
| CAW | CAX | CAN | 123.9° | 120.1° |
| CAW | CAX | CAO | 115.5° | 120.0° |
| CAN | CAX | CAO | 120.4° | 119.9° |
| CAX | CAN | CAU | 118.2° | 119.9° |
| CAX | CAN | H20 | 120.9° | 120.0° |
| CAX | CAO | CAV | 117.6° | 119.9° |
| CAX | CAO | H21 | 121.2° | 120.1° |
| CAN | CAU | FAG | 119.1° | 120.0° |
| CAN | CAU | CAZ | 121.6° | 120.1° |
| CAU | CAN | H20 | 120.9° | 120.1° |
| CAO | CAV | CAZ | 122.6° | 120.1° |
| CAO | CAV | FAH | 122.1° | 119.9° |
| CAV | CAO | H21 | 121.2° | 120.0° |
| FAG | CAU | CAZ | 119.2° | 119.9° |
| CAU | CAZ | CAV | 119.5° | 120.1° |
| CAU | CAZ | FAI | 121.0° | 119.9° |
| CAZ | CAV | FAH | 115.2° | 119.9° |
| CAV | CAZ | FAI | 119.5° | 119.9° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.6° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.4° | 109.5° |
| H10 | CAP | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CBB | CAA | CAB | 117.4° | 120.0° |
| CAC | CBB | CAA | CAP | 122.8° | 120.1° |
| CAC | CBB | CAB | CAP | 119.0° | 120.0° |
| CAC | CBB | CAP | CAS | 76.3° | 180.0° |
| CAC | CBB | CAA | H1 | 180.0° | 60.0° |
| CAC | CBB | CAA | H2 | 60.0° | 60.0° |
| CAC | CBB | CAA | H3 | 60.0° | 179.9° |
| CAC | CBB | CAB | H4 | 180.0° | 60.0° |
| CAC | CBB | CAB | H5 | 60.0° | 60.0° |
| CAC | CBB | CAB | H6 | 60.0° | 180.0° |
| CBB | CAC | H7 | H8 | 120.0° | 120.0° |
| CBB | CAC | H7 | H9 | 120.0° | 120.0° |
| CBB | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CBB | CAP | H10 | 43.5° | 59.9° |
| CAC | CBB | CAP | H11 | 163.8° | 60.0° |
| CAA | CBB | CAB | CAP | 126.3° | 120.0° |
| CAA | CBB | CAP | CAS | 42.7° | 59.9° |
| CBB | CAA | H1 | H2 | 120.0° | 120.0° |
| CBB | CAA | H1 | H3 | 120.0° | 120.0° |
| CBB | CAA | H2 | H3 | 119.9° | 119.9° |
| CAA | CBB | CAB | H4 | 65.4° | 60.0° |
| CAA | CBB | CAB | H5 | 174.6° | 180.0° |
| CAA | CBB | CAB | H6 | 54.6° | 60.0° |
| CAA | CBB | CAC | H7 | 180.0° | 60.0° |
| CAA | CBB | CAC | H8 | 60.0° | 180.0° |
| CAA | CBB | CAC | H9 | 60.0° | 59.9° |
| CAA | CBB | CAP | H10 | 162.5° | 180.0° |
| CAA | CBB | CAP | H11 | 77.2° | 60.0° |
| CAB | CBB | CAP | CAS | 166.4° | 60.0° |
| CAB | CBB | CAA | H1 | 62.5° | 180.0° |
| CAB | CBB | CAA | H2 | 57.4° | 60.0° |
| CAB | CBB | CAA | H3 | 177.4° | 60.0° |
| CBB | CAB | H4 | H5 | 120.0° | 120.0° |
| CBB | CAB | H4 | H6 | 120.0° | 120.1° |
| CBB | CAB | H5 | H6 | 119.9° | 120.1° |
| CAB | CBB | CAC | H7 | 60.5° | 180.0° |
| CAB | CBB | CAC | H8 | 179.5° | 60.0° |
| CAB | CBB | CAC | H9 | 59.5° | 60.0° |
| CAB | CBB | CAP | H10 | 73.8° | 60.1° |
| CAB | CBB | CAP | H11 | 46.5° | 180.0° |
| OAF | NAQ | C | H14 | 180.0° | 180.0° |
| OAF | NAQ | C | O | 8.8° | 0.0° |
| OAF | NAQ | C | CA | 176.7° | 180.0° |
| CBB | CAP | CAS | H10 | 119.9° | 120.0° |
| CBB | CAP | CAS | H11 | 119.9° | 120.0° |
| CBB | CAP | CAS | N | 91.5° | 180.0° |
| CBB | CAP | CAS | OAD | 87.0° | 0.1° |
| CAP | CBB | CAA | H1 | 57.2° | 60.1° |
| CAP | CBB | CAA | H2 | 177.2° | 180.0° |
| CAP | CBB | CAA | H3 | 62.8° | 60.0° |
| CAP | CBB | CAB | H4 | 61.0° | 180.0° |
| CAP | CBB | CAB | H5 | 59.1° | 60.0° |
| CAP | CBB | CAB | H6 | 179.0° | 60.0° |
| CAP | CBB | CAC | H7 | 54.2° | 60.0° |
| CAP | CBB | CAC | H8 | 65.8° | 60.0° |
| CAP | CBB | CAC | H9 | 174.2° | 180.0° |
| CBB | CAP | H10 | H11 | 120.4° | 119.9° |
| NAQ | C | O | CA | 173.8° | 180.0° |
| NAQ | C | CA | N | 116.3° | 180.0° |
| NAQ | C | CA | CAY | 110.9° | 60.0° |
| NAQ | C | CA | H13 | 5.6° | 60.0° |
| C | NAQ | OAF | H15 | 4.3° | 180.0° |
| O | C | CA | N | 57.8° | 0.0° |
| O | C | CA | CAY | 74.9° | 120.0° |
| O | C | CA | H13 | 168.5° | 120.0° |
| O | C | NAQ | H14 | 171.1° | 180.0° |
| CAP | CAS | N | OAD | 178.5° | 179.9° |
| CAP | CAS | N | CA | 170.9° | 180.0° |
| CAS | CAP | H10 | H11 | 120.3° | 120.0° |
| CAP | CAS | N | H12 | 9.1° | 0.0° |
| C | CA | N | CAS | 119.4° | 85.0° |
| C | CA | N | CAY | 131.9° | 120.0° |
| C | CA | N | H13 | 110.6° | 120.0° |
| C | CA | CAY | H13 | 116.1° | 120.0° |
| C | CA | CAY | CAM | 67.3° | 100.0° |
| C | CA | CAY | CAL | 116.5° | 79.7° |
| C | CA | N | H12 | 60.7° | 95.0° |
| CA | C | NAQ | H14 | 3.3° | 0.0° |
| CAS | N | CA | H12 | 180.0° | 180.0° |
| CAS | N | CA | CAY | 108.7° | 155.0° |
| N | CAS | CAP | H10 | 28.4° | 60.0° |
| N | CAS | CAP | H11 | 148.6° | 60.0° |
| CAS | N | CA | H13 | 8.7° | 35.0° |
| OAD | CAS | N | CA | 7.6° | 0.0° |
| OAD | CAS | CAP | H10 | 153.1° | 119.9° |
| OAD | CAS | CAP | H11 | 32.9° | 120.0° |
| OAD | CAS | N | H12 | 172.4° | 179.9° |
| N | CA | CAY | H13 | 117.0° | 120.0° |
| N | CA | CAY | CAM | 165.8° | 140.0° |
| N | CA | CAY | CAL | 10.4° | 40.3° |
| CA | CAY | CAM | CAL | 176.3° | 179.7° |
| CA | CAY | CAM | CAK | 175.4° | 180.0° |
| CA | CAY | CAL | CAJ | 172.0° | 180.0° |
| CAY | CA | N | H12 | 71.3° | 25.0° |
| CA | CAY | CAM | H16 | 4.6° | 0.0° |
| CA | CAY | CAL | H18 | 8.0° | 0.0° |
| CAY | CAM | CAK | H16 | 180.0° | 179.9° |
| CAM | CAY | CAL | CAJ | 3.8° | 0.4° |
| CAY | CAM | CAK | CAW | 1.3° | 0.0° |
| CAM | CAY | CA | H13 | 48.7° | 20.0° |
| CAY | CAM | CAK | H17 | 178.7° | 180.0° |
| CAM | CAY | CAL | H18 | 176.2° | 179.7° |
| CAL | CAY | CAM | CAK | 0.8° | 0.4° |
| CAY | CAL | CAJ | H18 | 180.0° | 180.0° |
| CAY | CAL | CAJ | CAW | 4.3° | 0.0° |
| CAL | CAY | CA | H13 | 127.4° | 160.3° |
| CAL | CAY | CAM | H16 | 179.1° | 179.7° |
| CAY | CAL | CAJ | H19 | 175.7° | 180.0° |
| CAM | CAK | CAW | H17 | 180.0° | 180.0° |
| CAM | CAK | CAW | CAJ | 0.6° | 0.3° |
| CAM | CAK | CAW | CAX | 174.1° | 180.0° |
| CAL | CAJ | CAW | CAK | 2.1° | 0.3° |
| CAL | CAJ | CAW | H19 | 180.0° | 179.9° |
| CAL | CAJ | CAW | CAX | 176.8° | 180.0° |
| CAK | CAW | CAJ | CAX | 174.7° | 179.7° |
| CAK | CAW | CAX | CAN | 122.4° | 179.9° |
| CAK | CAW | CAX | CAO | 63.2° | 0.3° |
| CAW | CAK | CAM | H16 | 178.7° | 180.0° |
| CAK | CAW | CAJ | H19 | 177.9° | 179.7° |
| CAJ | CAW | CAX | CAN | 62.9° | 0.3° |
| CAJ | CAW | CAX | CAO | 111.5° | 180.0° |
| CAJ | CAW | CAK | H17 | 179.4° | 179.7° |
| CAW | CAJ | CAL | H18 | 175.7° | 180.0° |
| CAW | CAX | CAN | CAO | 174.1° | 179.7° |
| CAW | CAX | CAN | CAU | 176.4° | 180.0° |
| CAW | CAX | CAO | CAV | 177.5° | 179.7° |
| CAX | CAW | CAK | H17 | 5.9° | 0.0° |
| CAX | CAW | CAJ | H19 | 3.2° | 0.0° |
| CAW | CAX | CAN | H20 | 3.6° | 0.0° |
| CAW | CAX | CAO | H21 | 2.6° | 0.0° |
| CAX | CAN | CAU | H20 | 180.0° | 180.0° |
| CAN | CAX | CAO | CAV | 2.9° | 0.5° |
| CAX | CAN | CAU | FAG | 178.1° | 180.0° |
| CAX | CAN | CAU | CAZ | 0.1° | 0.0° |
| CAN | CAX | CAO | H21 | 177.1° | 179.7° |
| CAO | CAX | CAN | CAU | 2.2° | 0.2° |
| CAX | CAO | CAV | H21 | 180.0° | 179.7° |
| CAX | CAO | CAV | CAZ | 1.3° | 0.6° |
| CAX | CAO | CAV | FAH | 179.8° | 179.8° |
| CAO | CAX | CAN | H20 | 177.7° | 179.7° |
| CAN | CAU | FAG | CAZ | 178.1° | 180.0° |
| CAN | CAU | CAZ | CAV | 1.7° | 0.0° |
| CAN | CAU | CAZ | FAI | 179.9° | 180.0° |
| CAO | CAV | CAZ | CAU | 1.0° | 0.3° |
| CAO | CAV | CAZ | FAH | 179.0° | 179.7° |
| CAO | CAV | CAZ | FAI | 179.4° | 179.7° |
| FAG | CAU | CAZ | CAV | 179.7° | 180.0° |
| FAG | CAU | CAZ | FAI | 1.9° | 0.0° |
| FAG | CAU | CAN | H20 | 2.0° | 0.0° |
| CAU | CAZ | CAV | FAI | 178.4° | 180.0° |
| CAU | CAZ | CAV | FAH | 178.0° | 180.0° |
| CAZ | CAU | CAN | H20 | 180.0° | 180.0° |
| CAZ | CAV | CAO | H21 | 178.8° | 179.7° |
| FAH | CAV | CAZ | FAI | 0.5° | 0.0° |
| FAH | CAV | CAO | H21 | 0.1° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H4 | CAB | H5 | H6 | 120.0° | 119.9° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H12 | N | CA | H13 | 171.3° | 145.0° |
| H14 | NAQ | OAF | H15 | 175.7° | 0.0° |
| H16 | CAM | CAK | H17 | 1.3° | 0.1° |
| H18 | CAL | CAJ | H19 | 4.3° | 0.1° |
