4WN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| NAB | CAN | sing | 1.40Å | 1.34Å | |
| CAN | CAP | doub | 1.39Å | 1.42Å | Aromatic |
| CAF | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAL | sing | 1.51Å | 1.44Å | |
| CAO | CAH | sing | 1.51Å | 1.41Å | |
| CAL | NAR | sing | 1.47Å | 1.47Å | |
| CAH | CAJ | sing | 1.53Å | 1.52Å | |
| NAR | CAJ | sing | 1.47Å | 1.47Å | |
| NAR | CAK | sing | 1.47Å | 1.48Å | |
| CAK | CAI | sing | 1.53Å | 1.53Å | |
| CAI | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | NAM | doub | 1.31Å | 1.31Å | Aromatic |
| CAQ | NAS | sing | 1.35Å | 1.34Å | Aromatic |
| NAM | CAD | sing | 1.34Å | 1.34Å | Aromatic |
| CAA | NAS | sing | 1.46Å | 1.51Å | |
| NAS | CAG | sing | 1.37Å | 1.33Å | Aromatic |
| CAD | CAG | doub | 1.35Å | 1.33Å | Aromatic |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAG | H18 | sing | 1.08Å | 1.08Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAE | CAN | 117.5° | 119.8° |
| CAE | CAC | CAF | 121.2° | 119.9° |
| CAE | CAC | H6 | 119.4° | 120.0° |
| CAC | CAE | H7 | 121.3° | 120.1° |
| CAE | CAN | NAB | 118.2° | 119.9° |
| CAE | CAN | CAP | 123.6° | 120.2° |
| CAN | CAE | H7 | 121.3° | 120.1° |
| CAC | CAF | CAO | 120.3° | 120.5° |
| CAC | CAF | H5 | 119.8° | 119.7° |
| CAF | CAC | H6 | 119.4° | 120.1° |
| NAB | CAN | CAP | 118.2° | 119.9° |
| CAN | NAB | H8 | 109.5° | 119.9° |
| CAN | NAB | H9 | 109.4° | 120.0° |
| CAN | CAP | CAO | 117.2° | 119.7° |
| CAN | CAP | CAL | 121.3° | 118.4° |
| CAF | CAO | CAP | 120.1° | 119.9° |
| CAF | CAO | CAH | 117.4° | 118.4° |
| CAO | CAF | H5 | 119.8° | 119.8° |
| CAO | CAP | CAL | 121.5° | 121.9° |
| CAP | CAO | CAH | 122.5° | 121.7° |
| CAP | CAL | NAR | 115.9° | 110.7° |
| CAP | CAL | H10 | 107.8° | 109.3° |
| CAP | CAL | H11 | 107.8° | 109.3° |
| CAO | CAH | CAJ | 113.5° | 109.9° |
| CAO | CAH | H3 | 108.5° | 109.4° |
| CAO | CAH | H4 | 108.5° | 109.3° |
| CAL | NAR | CAJ | 112.9° | 110.3° |
| CAL | NAR | CAK | 109.1° | 111.0° |
| NAR | CAL | H10 | 107.9° | 109.1° |
| NAR | CAL | H11 | 107.9° | 109.3° |
| CAH | CAJ | NAR | 113.6° | 108.7° |
| CAH | CAJ | H1 | 108.4° | 109.6° |
| CAH | CAJ | H2 | 108.4° | 109.6° |
| CAJ | CAH | H3 | 108.5° | 109.4° |
| CAJ | CAH | H4 | 108.4° | 109.4° |
| CAJ | NAR | CAK | 116.0° | 111.3° |
| NAR | CAJ | H1 | 108.4° | 109.7° |
| NAR | CAJ | H2 | 108.4° | 109.6° |
| NAR | CAK | CAI | 116.2° | 109.5° |
| NAR | CAK | H13 | 107.8° | 109.5° |
| NAR | CAK | H14 | 107.8° | 109.5° |
| CAK | CAI | CAQ | 112.4° | 109.5° |
| CAI | CAK | H13 | 107.7° | 109.5° |
| CAI | CAK | H14 | 107.8° | 109.5° |
| CAK | CAI | H15 | 108.8° | 109.5° |
| CAK | CAI | H16 | 108.7° | 109.5° |
| CAI | CAQ | NAM | 124.2° | 125.6° |
| CAI | CAQ | NAS | 127.1° | 125.7° |
| CAQ | CAI | H15 | 108.7° | 109.5° |
| CAQ | CAI | H16 | 108.8° | 109.5° |
| NAM | CAQ | NAS | 108.6° | 108.7° |
| CAQ | NAM | CAD | 108.7° | 109.2° |
| CAQ | NAS | CAA | 126.7° | 126.4° |
| CAQ | NAS | CAG | 106.8° | 107.2° |
| NAM | CAD | CAG | 106.9° | 108.0° |
| NAM | CAD | H17 | 126.6° | 126.0° |
| CAA | NAS | CAG | 126.5° | 126.4° |
| NAS | CAA | H19 | 109.5° | 109.5° |
| NAS | CAA | H20 | 109.4° | 109.5° |
| NAS | CAA | H21 | 109.5° | 109.5° |
| NAS | CAG | CAD | 109.0° | 106.8° |
| NAS | CAG | H18 | 125.5° | 126.6° |
| CAG | CAD | H17 | 126.6° | 126.0° |
| CAD | CAG | H18 | 125.5° | 126.6° |
| H1 | CAJ | H2 | 109.5° | 109.6° |
| H3 | CAH | H4 | 109.5° | 109.4° |
| H8 | NAB | H9 | 109.5° | 120.0° |
| H10 | CAL | H11 | 109.5° | 109.2° |
| H13 | CAK | H14 | 109.5° | 109.4° |
| H15 | CAI | H16 | 109.4° | 109.4° |
| H19 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H21 | 109.5° | 109.4° |
| H20 | CAA | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAE | CAN | H7 | 180.0° | 179.9° |
| CAE | CAC | CAF | H6 | 180.0° | 180.0° |
| CAC | CAE | CAN | NAB | 178.9° | 180.0° |
| CAC | CAE | CAN | CAP | 2.5° | 0.0° |
| CAE | CAC | CAF | CAO | 1.2° | 0.0° |
| CAE | CAC | CAF | H5 | 178.8° | 179.9° |
| CAN | CAE | CAC | CAF | 0.6° | 0.1° |
| CAE | CAN | NAB | CAP | 176.6° | 180.0° |
| CAE | CAN | CAP | CAO | 2.6° | 0.1° |
| CAE | CAN | CAP | CAL | 178.3° | 179.6° |
| CAN | CAE | CAC | H6 | 179.4° | 179.9° |
| CAE | CAN | NAB | H8 | 180.0° | 0.1° |
| CAE | CAN | NAB | H9 | 60.0° | 179.9° |
| CAC | CAF | CAO | H5 | 180.0° | 179.9° |
| CAC | CAF | CAO | CAP | 1.2° | 0.2° |
| CAC | CAF | CAO | CAH | 179.9° | 179.9° |
| CAF | CAC | CAE | H7 | 179.4° | 179.9° |
| NAB | CAN | CAP | CAO | 179.0° | 179.8° |
| NAB | CAN | CAP | CAL | 2.0° | 0.4° |
| NAB | CAN | CAE | H7 | 1.1° | 0.1° |
| CAN | NAB | H8 | H9 | 120.0° | 180.0° |
| CAN | CAP | CAO | CAF | 0.7° | 0.2° |
| CAN | CAP | CAO | CAL | 179.1° | 179.8° |
| CAN | CAP | CAO | CAH | 178.2° | 179.8° |
| CAN | CAP | CAL | NAR | 166.8° | 162.9° |
| CAP | CAN | CAE | H7 | 177.4° | 180.0° |
| CAP | CAN | NAB | H8 | 3.4° | 180.0° |
| CAP | CAN | NAB | H9 | 116.6° | 0.0° |
| CAN | CAP | CAL | H10 | 72.3° | 77.0° |
| CAN | CAP | CAL | H11 | 45.8° | 42.4° |
| CAF | CAO | CAP | CAH | 178.9° | 180.0° |
| CAF | CAO | CAP | CAL | 179.7° | 179.5° |
| CAF | CAO | CAH | CAJ | 166.1° | 163.1° |
| CAF | CAO | CAH | H3 | 73.3° | 42.9° |
| CAF | CAO | CAH | H4 | 45.5° | 76.9° |
| CAO | CAF | CAC | H6 | 178.8° | 180.0° |
| CAO | CAP | CAL | NAR | 12.3° | 17.4° |
| CAP | CAO | CAH | CAJ | 15.0° | 16.9° |
| CAP | CAO | CAH | H3 | 105.7° | 137.1° |
| CAP | CAO | CAH | H4 | 135.5° | 103.2° |
| CAP | CAO | CAF | H5 | 178.9° | 179.9° |
| CAO | CAP | CAL | H10 | 108.7° | 102.7° |
| CAO | CAP | CAL | H11 | 133.2° | 137.8° |
| CAL | CAP | CAO | CAH | 0.8° | 0.4° |
| CAP | CAL | NAR | H10 | 120.9° | 120.3° |
| CAP | CAL | NAR | H11 | 120.9° | 120.4° |
| CAP | CAL | NAR | CAJ | 38.0° | 52.1° |
| CAP | CAL | NAR | CAK | 168.5° | 175.9° |
| CAP | CAL | H10 | H11 | 117.1° | 119.5° |
| CAO | CAH | CAJ | H3 | 120.6° | 120.2° |
| CAO | CAH | CAJ | H4 | 120.6° | 120.0° |
| CAO | CAH | CAJ | NAR | 40.8° | 50.2° |
| CAO | CAH | CAJ | H1 | 161.4° | 170.1° |
| CAO | CAH | CAJ | H2 | 79.8° | 69.6° |
| CAO | CAH | H3 | H4 | 118.2° | 119.7° |
| CAH | CAO | CAF | H5 | 0.1° | 0.0° |
| CAL | NAR | CAJ | CAH | 52.7° | 70.9° |
| CAL | NAR | CAJ | CAK | 126.9° | 123.7° |
| CAL | NAR | CAK | CAI | 171.9° | 170.0° |
| CAL | NAR | CAJ | H1 | 173.3° | 169.3° |
| CAL | NAR | CAJ | H2 | 68.0° | 48.9° |
| NAR | CAL | H10 | H11 | 117.1° | 119.4° |
| CAL | NAR | CAK | H13 | 67.1° | 70.0° |
| CAL | NAR | CAK | H14 | 50.9° | 50.0° |
| CAH | CAJ | NAR | H1 | 120.6° | 119.8° |
| CAH | CAJ | NAR | H2 | 120.6° | 119.8° |
| CAH | CAJ | NAR | CAK | 179.6° | 165.5° |
| CAH | CAJ | H1 | H2 | 118.1° | 120.3° |
| CAJ | CAH | H3 | H4 | 118.2° | 119.8° |
| CAJ | NAR | CAK | CAI | 59.3° | 66.7° |
| NAR | CAJ | H1 | H2 | 118.1° | 120.4° |
| NAR | CAJ | CAH | H3 | 79.8° | 170.4° |
| NAR | CAJ | CAH | H4 | 161.4° | 69.7° |
| CAJ | NAR | CAL | H10 | 82.9° | 68.1° |
| CAJ | NAR | CAL | H11 | 158.9° | 172.5° |
| CAJ | NAR | CAK | H13 | 61.7° | 53.3° |
| CAJ | NAR | CAK | H14 | 179.7° | 173.3° |
| NAR | CAK | CAI | H13 | 121.0° | 120.0° |
| NAR | CAK | CAI | H14 | 121.0° | 120.0° |
| NAR | CAK | CAI | CAQ | 86.3° | 180.0° |
| CAK | NAR | CAJ | H1 | 59.8° | 45.6° |
| CAK | NAR | CAJ | H2 | 59.0° | 74.7° |
| CAK | NAR | CAL | H10 | 47.5° | 55.7° |
| CAK | NAR | CAL | H11 | 70.6° | 63.7° |
| NAR | CAK | H13 | H14 | 117.0° | 120.0° |
| NAR | CAK | CAI | H15 | 153.3° | 60.0° |
| NAR | CAK | CAI | H16 | 34.2° | 60.0° |
| CAK | CAI | CAQ | H15 | 120.4° | 120.0° |
| CAK | CAI | CAQ | H16 | 120.4° | 120.0° |
| CAK | CAI | CAQ | NAM | 17.8° | 90.0° |
| CAK | CAI | CAQ | NAS | 161.9° | 90.3° |
| CAI | CAK | H13 | H14 | 116.9° | 120.0° |
| CAK | CAI | H15 | H16 | 118.7° | 120.0° |
| CAI | CAQ | NAM | NAS | 179.8° | 179.7° |
| CAI | CAQ | NAM | CAD | 179.4° | 180.0° |
| CAI | CAQ | NAS | CAA | 0.9° | 0.1° |
| CAI | CAQ | NAS | CAG | 180.0° | 179.8° |
| CAQ | CAI | CAK | H13 | 34.7° | 60.0° |
| CAQ | CAI | CAK | H14 | 152.7° | 60.0° |
| CAQ | CAI | H15 | H16 | 118.7° | 120.0° |
| NAM | CAQ | NAS | CAA | 179.3° | 179.8° |
| NAM | CAQ | NAS | CAG | 0.3° | 0.5° |
| CAQ | NAM | CAD | CAG | 1.0° | 0.0° |
| NAM | CAQ | CAI | H15 | 102.6° | 30.0° |
| NAM | CAQ | CAI | H16 | 138.3° | 150.0° |
| CAQ | NAM | CAD | H17 | 179.1° | 180.0° |
| NAS | CAQ | NAM | CAD | 0.4° | 0.3° |
| CAQ | NAS | CAA | CAG | 178.9° | 179.7° |
| CAQ | NAS | CAG | CAD | 0.9° | 0.5° |
| NAS | CAQ | CAI | H15 | 77.6° | 149.6° |
| NAS | CAQ | CAI | H16 | 41.5° | 29.7° |
| CAQ | NAS | CAG | H18 | 179.1° | 179.8° |
| CAQ | NAS | CAA | H19 | 180.0° | 89.9° |
| CAQ | NAS | CAA | H20 | 60.0° | 150.0° |
| CAQ | NAS | CAA | H21 | 60.0° | 30.1° |
| NAM | CAD | CAG | NAS | 1.1° | 0.3° |
| NAM | CAD | CAG | H17 | 180.0° | 179.9° |
| NAM | CAD | CAG | H18 | 178.9° | 180.0° |
| CAA | NAS | CAG | CAD | 179.9° | 179.8° |
| CAA | NAS | CAG | H18 | 0.1° | 0.1° |
| NAS | CAA | H19 | H20 | 120.0° | 120.0° |
| NAS | CAA | H19 | H21 | 120.0° | 120.0° |
| NAS | CAA | H20 | H21 | 120.0° | 120.0° |
| NAS | CAG | CAD | H18 | 180.0° | 179.7° |
| NAS | CAG | CAD | H17 | 178.9° | 179.7° |
| CAG | NAS | CAA | H19 | 1.1° | 89.7° |
| CAG | NAS | CAA | H20 | 118.9° | 30.3° |
| CAG | NAS | CAA | H21 | 121.1° | 150.3° |
| H1 | CAJ | CAH | H3 | 40.8° | 69.7° |
| H1 | CAJ | CAH | H4 | 78.0° | 50.1° |
| H2 | CAJ | CAH | H3 | 159.6° | 50.6° |
| H2 | CAJ | CAH | H4 | 40.8° | 170.4° |
| H5 | CAF | CAC | H6 | 1.2° | 0.1° |
| H6 | CAC | CAE | H7 | 0.6° | 0.0° |
| H13 | CAK | CAI | H15 | 85.7° | 180.0° |
| H13 | CAK | CAI | H16 | 155.2° | 60.0° |
| H14 | CAK | CAI | H15 | 32.3° | 60.0° |
| H14 | CAK | CAI | H16 | 86.8° | NaN° |
| H17 | CAD | CAG | H18 | 1.1° | 0.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
