4TL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CBA | sing | 1.53Å | 1.54Å | |
| OAF | NAP | sing | 1.42Å | 1.39Å | |
| NAP | C | sing | 1.35Å | 1.32Å | |
| CBA | CAA | sing | 1.53Å | 1.53Å | |
| CBA | CAB | sing | 1.53Å | 1.53Å | |
| CBA | CAS | sing | 1.51Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CAS | N | sing | 1.35Å | 1.35Å | |
| CAS | OAE | doub | 1.21Å | 1.22Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| CA | CAY | sing | 1.51Å | 1.39Å | |
| CAY | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.48Å | 1.40Å | |
| CAW | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAO | sing | 1.39Å | 1.42Å | Aromatic |
| CAN | CAT | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | FAG | sing | 1.35Å | 1.32Å | |
| CAT | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAX | sing | 1.39Å | 1.37Å | Aromatic |
| CAU | FAH | sing | 1.35Å | 1.37Å | |
| CAX | 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 | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å | |
| OAF | H13 | sing | 0.97Å | 0.95Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| CAN | H18 | sing | 1.08Å | 1.08Å | |
| CAO | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CBA | CAA | 106.2° | 109.5° |
| CAC | CBA | CAB | 110.6° | 109.5° |
| CAC | CBA | CAS | 103.6° | 109.4° |
| CBA | CAC | H7 | 109.5° | 109.5° |
| CBA | CAC | H8 | 109.4° | 109.5° |
| CBA | CAC | H9 | 109.5° | 109.5° |
| OAF | NAP | C | 119.1° | 120.0° |
| OAF | NAP | H12 | 120.4° | 120.0° |
| NAP | OAF | H13 | 109.5° | 114.0° |
| NAP | C | O | 125.7° | 120.0° |
| NAP | C | CA | 113.4° | 120.0° |
| C | NAP | H12 | 120.5° | 120.0° |
| CAA | CBA | CAB | 111.0° | 109.5° |
| CAA | CBA | CAS | 111.5° | 109.5° |
| CBA | CAA | H1 | 109.5° | 109.5° |
| CBA | CAA | H2 | 109.5° | 109.5° |
| CBA | CAA | H3 | 109.5° | 109.5° |
| CAB | CBA | CAS | 113.4° | 109.5° |
| CBA | CAB | H4 | 109.5° | 109.5° |
| CBA | CAB | H5 | 109.5° | 109.5° |
| CBA | CAB | H6 | 109.5° | 109.4° |
| CBA | CAS | N | 117.5° | 120.0° |
| CBA | CAS | OAE | 118.2° | 120.0° |
| O | C | CA | 120.0° | 120.0° |
| C | CA | N | 104.3° | 109.5° |
| C | CA | CAY | 114.4° | 109.5° |
| C | CA | H11 | 104.7° | 109.5° |
| N | CAS | OAE | 124.2° | 120.0° |
| CAS | N | CA | 120.7° | 120.0° |
| CAS | N | H10 | 119.6° | 120.0° |
| N | CA | CAY | 120.6° | 109.5° |
| CA | N | H10 | 119.7° | 120.0° |
| N | CA | H11 | 105.3° | 109.5° |
| CA | CAY | CAM | 114.8° | 119.9° |
| CA | CAY | CAL | 124.3° | 119.9° |
| CAY | CA | H11 | 106.2° | 109.5° |
| CAM | CAY | CAL | 120.7° | 120.3° |
| CAY | CAM | CAK | 120.4° | 120.1° |
| CAY | CAM | H14 | 119.8° | 119.9° |
| CAY | CAL | CAJ | 119.4° | 120.1° |
| CAY | CAL | H16 | 120.3° | 119.9° |
| CAM | CAK | CAV | 119.1° | 119.8° |
| CAK | CAM | H14 | 119.8° | 120.0° |
| CAM | CAK | H15 | 120.4° | 120.1° |
| CAL | CAJ | CAV | 120.0° | 119.9° |
| CAJ | CAL | H16 | 120.3° | 120.0° |
| CAL | CAJ | H17 | 120.0° | 120.1° |
| CAK | CAV | CAJ | 120.3° | 119.8° |
| CAK | CAV | CAW | 117.7° | 120.1° |
| CAV | CAK | H15 | 120.4° | 120.1° |
| CAJ | CAV | CAW | 121.6° | 120.1° |
| CAV | CAJ | H17 | 120.0° | 120.0° |
| CAV | CAW | CAN | 125.9° | 120.1° |
| CAV | CAW | CAO | 113.9° | 120.1° |
| CAN | CAW | CAO | 120.1° | 119.8° |
| CAW | CAN | CAT | 117.6° | 120.0° |
| CAW | CAN | H18 | 121.2° | 120.0° |
| CAW | CAO | CAU | 121.4° | 119.9° |
| CAW | CAO | H19 | 119.3° | 120.1° |
| CAN | CAT | FAG | 117.6° | 120.0° |
| CAN | CAT | CAX | 121.6° | 120.1° |
| CAT | CAN | H18 | 121.2° | 120.0° |
| CAO | CAU | CAX | 118.6° | 120.0° |
| CAO | CAU | FAH | 124.3° | 120.0° |
| CAU | CAO | H19 | 119.3° | 120.0° |
| FAG | CAT | CAX | 120.8° | 119.9° |
| CAT | CAX | CAU | 120.5° | 120.2° |
| CAT | CAX | FAI | 124.3° | 120.0° |
| CAX | CAU | FAH | 117.1° | 120.0° |
| CAU | CAX | FAI | 115.2° | 119.9° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CBA | CAA | CAB | 120.3° | 120.0° |
| CAC | CBA | CAA | CAS | 112.2° | 120.0° |
| CAC | CBA | CAB | CAS | 115.9° | 120.0° |
| CAC | CBA | CAS | N | 85.4° | 60.0° |
| CAC | CBA | CAS | OAE | 91.2° | 120.0° |
| CAC | CBA | CAA | H1 | 180.0° | 180.0° |
| CAC | CBA | CAA | H2 | 60.0° | 60.0° |
| CAC | CBA | CAA | H3 | 60.0° | 60.0° |
| CAC | CBA | CAB | H4 | 180.0° | 60.0° |
| CAC | CBA | CAB | H5 | 60.0° | 60.0° |
| CAC | CBA | CAB | H6 | 60.0° | 180.0° |
| CBA | CAC | H7 | H8 | 120.0° | 120.0° |
| CBA | CAC | H7 | H9 | 120.0° | 120.0° |
| CBA | CAC | H8 | H9 | 120.0° | 120.0° |
| OAF | NAP | C | H12 | 180.0° | 180.0° |
| OAF | NAP | C | O | 9.8° | 0.0° |
| OAF | NAP | C | CA | 179.0° | 180.0° |
| NAP | C | O | CA | 168.5° | 180.0° |
| NAP | C | CA | N | 117.0° | 180.0° |
| NAP | C | CA | CAY | 109.2° | 60.0° |
| NAP | C | CA | H11 | 6.6° | 60.0° |
| C | NAP | OAF | H13 | 4.3° | 180.0° |
| CAA | CBA | CAB | CAS | 126.4° | 120.0° |
| CAA | CBA | CAS | N | 160.8° | 180.0° |
| CAA | CBA | CAS | OAE | 22.7° | 0.1° |
| CBA | CAA | H1 | H2 | 120.0° | 120.0° |
| CBA | CAA | H1 | H3 | 120.0° | 120.0° |
| CBA | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CBA | CAB | H4 | 62.3° | 60.0° |
| CAA | CBA | CAB | H5 | 177.7° | 180.0° |
| CAA | CBA | CAB | H6 | 57.7° | 60.0° |
| CAA | CBA | CAC | H7 | 180.0° | 60.0° |
| CAA | CBA | CAC | H8 | 60.0° | 180.0° |
| CAA | CBA | CAC | H9 | 60.0° | 60.0° |
| CAB | CBA | CAS | N | 34.6° | 60.0° |
| CAB | CBA | CAS | OAE | 148.9° | 120.0° |
| CAB | CBA | CAA | H1 | 59.7° | 60.0° |
| CAB | CBA | CAA | H2 | 60.3° | 180.0° |
| CAB | CBA | CAA | H3 | 179.7° | 60.0° |
| CBA | CAB | H4 | H5 | 120.0° | 120.0° |
| CBA | CAB | H4 | H6 | 120.0° | 120.0° |
| CBA | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CBA | CAC | H7 | 59.4° | 180.0° |
| CAB | CBA | CAC | H8 | 179.4° | 60.0° |
| CAB | CBA | CAC | H9 | 60.6° | 60.0° |
| CBA | CAS | N | OAE | 176.3° | 180.0° |
| CBA | CAS | N | CA | 163.2° | 180.0° |
| CAS | CBA | CAA | H1 | 67.8° | 60.0° |
| CAS | CBA | CAA | H2 | 172.2° | 60.0° |
| CAS | CBA | CAA | H3 | 52.2° | 180.0° |
| CAS | CBA | CAB | H4 | 64.1° | 180.0° |
| CAS | CBA | CAB | H5 | 55.9° | 60.0° |
| CAS | CBA | CAB | H6 | 175.9° | 60.0° |
| CAS | CBA | CAC | H7 | 62.5° | 60.0° |
| CAS | CBA | CAC | H8 | 57.5° | 60.0° |
| CAS | CBA | CAC | H9 | 177.5° | 180.0° |
| CBA | CAS | N | H10 | 16.8° | 0.0° |
| O | C | CA | N | 52.9° | 0.0° |
| O | C | CA | CAY | 80.9° | 120.0° |
| O | C | CA | H11 | 163.3° | 120.0° |
| O | C | NAP | H12 | 170.2° | 180.0° |
| C | CA | N | CAS | 116.1° | 85.0° |
| C | CA | N | CAY | 130.2° | 120.0° |
| C | CA | N | H11 | 109.9° | 120.0° |
| C | CA | CAY | H11 | 115.0° | 120.0° |
| C | CA | CAY | CAM | 68.5° | 100.0° |
| C | CA | CAY | CAL | 116.9° | 79.8° |
| C | CA | N | H10 | 63.9° | 95.0° |
| CA | C | NAP | H12 | 1.0° | 0.0° |
| CAS | N | CA | H10 | 180.0° | 180.0° |
| CAS | N | CA | CAY | 113.7° | 155.0° |
| CAS | N | CA | H11 | 6.1° | 35.0° |
| OAE | CAS | N | CA | 13.2° | 0.0° |
| OAE | CAS | N | H10 | 166.9° | 180.0° |
| N | CA | CAY | H11 | 119.4° | 120.0° |
| N | CA | CAY | CAM | 165.8° | 140.0° |
| N | CA | CAY | CAL | 8.8° | 40.2° |
| CA | CAY | CAM | CAL | 174.8° | 179.8° |
| CA | CAY | CAM | CAK | 176.8° | 180.0° |
| CA | CAY | CAL | CAJ | 176.8° | 180.0° |
| CAY | CA | N | H10 | 66.3° | 25.0° |
| CA | CAY | CAM | H14 | 3.2° | 0.0° |
| CA | CAY | CAL | H16 | 3.2° | 0.1° |
| CAY | CAM | CAK | H14 | 180.0° | 179.9° |
| CAM | CAY | CAL | CAJ | 2.6° | 0.3° |
| CAY | CAM | CAK | CAV | 0.6° | 0.1° |
| CAM | CAY | CA | H11 | 46.4° | 20.0° |
| CAY | CAM | CAK | H15 | 179.4° | 180.0° |
| CAM | CAY | CAL | H16 | 177.4° | 179.7° |
| CAL | CAY | CAM | CAK | 2.0° | 0.3° |
| CAY | CAL | CAJ | H16 | 180.0° | 179.9° |
| CAY | CAL | CAJ | CAV | 0.6° | 0.0° |
| CAL | CAY | CA | H11 | 128.1° | 160.3° |
| CAL | CAY | CAM | H14 | 178.0° | 179.8° |
| CAY | CAL | CAJ | H17 | 179.5° | 179.9° |
| CAM | CAK | CAV | H15 | 180.0° | 180.0° |
| CAM | CAK | CAV | CAJ | 2.7° | 0.2° |
| CAM | CAK | CAV | CAW | 175.4° | 180.0° |
| CAL | CAJ | CAV | CAK | 2.1° | 0.2° |
| CAL | CAJ | CAV | H17 | 180.0° | 179.9° |
| CAL | CAJ | CAV | CAW | 174.5° | 179.9° |
| CAK | CAV | CAJ | CAW | 172.5° | 179.8° |
| CAK | CAV | CAW | CAN | 126.6° | 180.0° |
| CAK | CAV | CAW | CAO | 55.7° | 0.2° |
| CAV | CAK | CAM | H14 | 179.4° | 180.0° |
| CAK | CAV | CAJ | H17 | 177.9° | 179.7° |
| CAJ | CAV | CAW | CAN | 60.8° | 0.2° |
| CAJ | CAV | CAW | CAO | 116.9° | 180.0° |
| CAJ | CAV | CAK | H15 | 177.3° | 179.8° |
| CAV | CAJ | CAL | H16 | 179.4° | 179.9° |
| CAV | CAW | CAN | CAO | 177.6° | 179.8° |
| CAV | CAW | CAN | CAT | 178.8° | 179.9° |
| CAV | CAW | CAO | CAU | 177.7° | 179.7° |
| CAW | CAV | CAK | H15 | 4.6° | 0.0° |
| CAW | CAV | CAJ | H17 | 5.5° | 0.1° |
| CAV | CAW | CAN | H18 | 1.2° | 0.0° |
| CAV | CAW | CAO | H19 | 2.3° | 0.0° |
| CAW | CAN | CAT | H18 | 180.0° | 179.9° |
| CAN | CAW | CAO | CAU | 0.2° | 0.5° |
| CAW | CAN | CAT | FAG | 178.8° | 180.0° |
| CAW | CAN | CAT | CAX | 1.7° | 0.1° |
| CAN | CAW | CAO | H19 | 179.9° | 179.7° |
| CAO | CAW | CAN | CAT | 1.2° | 0.3° |
| CAW | CAO | CAU | H19 | 180.0° | 179.7° |
| CAW | CAO | CAU | CAX | 1.1° | 0.5° |
| CAW | CAO | CAU | FAH | 177.8° | 179.7° |
| CAO | CAW | CAN | H18 | 178.8° | 179.8° |
| CAN | CAT | FAG | CAX | 179.5° | 179.9° |
| CAN | CAT | CAX | CAU | 0.7° | 0.0° |
| CAN | CAT | CAX | FAI | 179.7° | 180.0° |
| CAO | CAU | CAX | CAT | 0.7° | 0.2° |
| CAO | CAU | CAX | FAH | 179.0° | 179.8° |
| CAO | CAU | CAX | FAI | 179.0° | 179.7° |
| FAG | CAT | CAX | CAU | 179.8° | 180.0° |
| FAG | CAT | CAX | FAI | 0.2° | 0.0° |
| FAG | CAT | CAN | H18 | 1.2° | 0.1° |
| CAT | CAX | CAU | FAI | 179.6° | 180.0° |
| CAT | CAX | CAU | FAH | 178.4° | 180.0° |
| CAX | CAT | CAN | H18 | 178.3° | 179.9° |
| CAX | CAU | CAO | H19 | 178.9° | 179.8° |
| FAH | CAU | CAX | FAI | 2.0° | 0.1° |
| FAH | CAU | CAO | H19 | 2.1° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | N | CA | H11 | 173.8° | 145.0° |
| H12 | NAP | OAF | H13 | 175.7° | 0.1° |
| H14 | CAM | CAK | H15 | 0.6° | 0.0° |
| H16 | CAL | CAJ | H17 | 0.5° | 0.0° |
