NX8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAG | CAI | sing | 1.53Å | 1.52Å | |
CAG | NAO | sing | 1.47Å | 1.49Å | |
CAI | CAV | sing | 1.53Å | 1.49Å | |
NAO | CAH | sing | 1.47Å | 1.47Å | |
CAV | CAK | sing | 1.53Å | 1.59Å | |
CAV | CAJ | sing | 1.53Å | 1.49Å | |
CAH | CAJ | sing | 1.53Å | 1.54Å | |
CAK | NAP | sing | 1.46Å | 1.54Å | |
OAB | CAR | doub | 1.21Å | 1.15Å | |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
NAP | CAR | sing | 1.35Å | 1.43Å | |
CAR | CAY | sing | 1.51Å | 1.53Å | |
N6 | C6 | sing | 1.38Å | 1.44Å | |
C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
N9 | CAZ | sing | 1.47Å | 1.48Å | |
N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
CAX | CAW | sing | 1.55Å | 1.67Å | |
CAX | OAD | sing | 1.43Å | 1.46Å | |
CAX | CAZ | sing | 1.54Å | 1.27Å | |
C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
CAY | CAW | sing | 1.54Å | 1.34Å | |
CAY | OAQ | sing | 1.44Å | 1.51Å | |
CAW | OAC | sing | 1.43Å | 1.42Å | |
OAQ | CAZ | sing | 1.45Å | 1.63Å | |
C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
CAK | H11 | sing | 1.09Å | 1.10Å | |
CAK | H12 | sing | 1.09Å | 1.10Å | |
CAV | H13 | sing | 1.09Å | 1.10Å | |
CAW | H14 | sing | 1.09Å | 1.10Å | |
CAX | H15 | sing | 1.09Å | 1.10Å | |
CAY | H16 | sing | 1.09Å | 1.10Å | |
CAZ | H17 | sing | 1.09Å | 1.10Å | |
N6 | H18 | sing | 0.97Å | 1.00Å | |
N6 | H19 | sing | 0.97Å | 1.00Å | |
NAO | H20 | sing | 1.01Å | 1.00Å | |
NAP | H22 | sing | 0.97Å | 1.00Å | |
OAC | H23 | sing | 0.97Å | 0.95Å | |
OAD | H24 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAI | CAG | NAO | 111.3° | 109.5° |
CAG | CAI | CAV | 110.5° | 109.3° |
CAI | CAG | H3 | 109.0° | 109.4° |
CAI | CAG | H4 | 109.0° | 109.5° |
CAG | CAI | H7 | 109.2° | 109.5° |
CAG | CAI | H8 | 109.2° | 109.5° |
CAG | NAO | CAH | 114.0° | 111.2° |
NAO | CAG | H3 | 109.0° | 109.5° |
NAO | CAG | H4 | 109.0° | 109.5° |
CAG | NAO | H20 | 108.3° | 111.0° |
CAI | CAV | CAK | 107.3° | 109.5° |
CAI | CAV | CAJ | 112.9° | 109.2° |
CAV | CAI | H7 | 109.2° | 109.5° |
CAV | CAI | H8 | 109.2° | 109.5° |
CAI | CAV | H13 | 109.9° | 109.5° |
NAO | CAH | CAJ | 113.3° | 109.6° |
NAO | CAH | H5 | 108.5° | 109.4° |
NAO | CAH | H6 | 108.5° | 109.4° |
CAH | NAO | H20 | 108.4° | 111.0° |
CAK | CAV | CAJ | 108.3° | 109.5° |
CAV | CAK | NAP | 110.3° | 109.5° |
CAV | CAK | H11 | 109.3° | 109.5° |
CAV | CAK | H12 | 109.3° | 109.5° |
CAK | CAV | H13 | 108.5° | 109.5° |
CAV | CAJ | CAH | 112.1° | 109.3° |
CAV | CAJ | H9 | 108.8° | 109.5° |
CAV | CAJ | H10 | 108.8° | 109.5° |
CAJ | CAV | H13 | 109.9° | 109.6° |
CAJ | CAH | H5 | 108.5° | 109.5° |
CAJ | CAH | H6 | 108.5° | 109.5° |
CAH | CAJ | H9 | 108.8° | 109.6° |
CAH | CAJ | H10 | 108.8° | 109.5° |
CAK | NAP | CAR | 114.1° | 120.0° |
NAP | CAK | H11 | 109.2° | 109.5° |
NAP | CAK | H12 | 109.2° | 109.5° |
CAK | NAP | H22 | 123.0° | 120.0° |
OAB | CAR | NAP | 118.9° | 120.0° |
OAB | CAR | CAY | 120.9° | 120.0° |
C8 | N7 | C5 | 108.7° | 109.4° |
N7 | C8 | N9 | 108.2° | 110.0° |
N7 | C8 | H1 | 125.9° | 125.0° |
N7 | C5 | C6 | 134.7° | 134.7° |
N7 | C5 | C4 | 107.0° | 107.1° |
C8 | N9 | CAZ | 127.1° | 126.3° |
C8 | N9 | C4 | 109.6° | 107.4° |
N9 | C8 | H1 | 125.9° | 125.0° |
NAP | CAR | CAY | 120.2° | 120.0° |
CAR | NAP | H22 | 122.9° | 120.0° |
CAR | CAY | CAW | 113.7° | 110.3° |
CAR | CAY | OAQ | 101.4° | 110.4° |
CAR | CAY | H16 | 110.7° | 110.3° |
N6 | C6 | C5 | 122.0° | 120.7° |
N6 | C6 | N1 | 119.9° | 120.8° |
C6 | N6 | H18 | 109.5° | 120.0° |
C6 | N6 | H19 | 109.5° | 120.0° |
C6 | C5 | C4 | 118.3° | 118.2° |
C5 | C6 | N1 | 118.1° | 118.4° |
C5 | C4 | N9 | 106.5° | 106.0° |
C5 | C4 | N3 | 120.3° | 119.1° |
CAZ | N9 | C4 | 123.3° | 126.3° |
N9 | CAZ | CAX | 112.5° | 110.4° |
N9 | CAZ | OAQ | 110.5° | 110.5° |
N9 | CAZ | H17 | 108.8° | 110.3° |
N9 | C4 | N3 | 133.2° | 134.9° |
CAW | CAX | OAD | 109.3° | 110.5° |
CAW | CAX | CAZ | 101.7° | 104.0° |
CAX | CAW | CAY | 105.8° | 104.2° |
CAX | CAW | OAC | 106.1° | 110.5° |
CAX | CAW | H14 | 108.8° | 110.5° |
CAW | CAX | H15 | 108.6° | 110.5° |
OAD | CAX | CAZ | 110.5° | 110.5° |
OAD | CAX | H15 | 111.4° | 110.5° |
CAX | OAD | H24 | 109.5° | 113.9° |
CAX | CAZ | OAQ | 105.6° | 104.8° |
CAZ | CAX | H15 | 114.8° | 110.6° |
CAX | CAZ | H17 | 112.1° | 110.3° |
C6 | N1 | C2 | 121.6° | 121.2° |
CAW | CAY | OAQ | 105.3° | 104.8° |
CAY | CAW | OAC | 109.7° | 110.5° |
CAY | CAW | H14 | 113.7° | 110.6° |
CAW | CAY | H16 | 113.9° | 110.4° |
CAY | OAQ | CAZ | 104.2° | 105.3° |
OAQ | CAY | H16 | 111.0° | 110.5° |
OAC | CAW | H14 | 112.2° | 110.5° |
CAW | OAC | H23 | 109.5° | 113.9° |
OAQ | CAZ | H17 | 107.1° | 110.3° |
C4 | N3 | C2 | 119.7° | 120.6° |
N1 | C2 | N3 | 122.0° | 122.5° |
N1 | C2 | H2 | 119.0° | 118.7° |
N3 | C2 | H2 | 119.0° | 118.8° |
H3 | CAG | H4 | 109.5° | 109.5° |
H5 | CAH | H6 | 109.5° | 109.5° |
H7 | CAI | H8 | 109.4° | 109.5° |
H9 | CAJ | H10 | 109.5° | 109.5° |
H11 | CAK | H12 | 109.5° | 109.4° |
H18 | N6 | H19 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAI | CAG | NAO | H3 | 120.3° | 120.0° |
CAI | CAG | NAO | H4 | 120.3° | 120.0° |
CAG | CAI | CAV | H7 | 120.1° | 119.9° |
CAG | CAI | CAV | H8 | 120.2° | 119.9° |
CAI | CAG | NAO | CAH | 2.5° | 61.7° |
CAG | CAI | CAV | CAK | 176.1° | 177.6° |
CAG | CAI | CAV | CAJ | 56.9° | 57.7° |
CAI | CAG | H3 | H4 | 119.1° | 120.0° |
CAG | CAI | H7 | H8 | 119.5° | 120.1° |
CAG | CAI | CAV | H13 | 66.1° | 62.3° |
CAI | CAG | NAO | H20 | 123.1° | 174.2° |
NAO | CAG | CAI | CAV | 55.4° | 59.2° |
CAG | NAO | CAH | H20 | 120.6° | 124.1° |
CAG | NAO | CAH | CAJ | 48.3° | 61.7° |
NAO | CAG | H3 | H4 | 119.2° | 120.0° |
CAG | NAO | CAH | H5 | 168.9° | 178.2° |
CAG | NAO | CAH | H6 | 72.3° | 58.3° |
NAO | CAG | CAI | H7 | 64.8° | 60.8° |
NAO | CAG | CAI | H8 | 175.6° | 179.1° |
CAI | CAV | CAK | CAJ | 122.1° | 119.7° |
CAI | CAV | CAK | H13 | 118.7° | 120.1° |
CAI | CAV | CAJ | H13 | 123.0° | 120.0° |
CAI | CAV | CAJ | CAH | 6.1° | 57.7° |
CAI | CAV | CAK | NAP | 155.8° | 175.0° |
CAV | CAI | CAG | H3 | 64.9° | 60.8° |
CAV | CAI | CAG | H4 | 175.7° | 179.2° |
CAV | CAI | H7 | H8 | 119.6° | 120.1° |
CAI | CAV | CAJ | H9 | 114.2° | 177.7° |
CAI | CAV | CAJ | H10 | 126.5° | 62.3° |
CAI | CAV | CAK | H11 | 35.7° | 65.0° |
CAI | CAV | CAK | H12 | 84.0° | 54.9° |
NAO | CAH | CAJ | CAV | 46.8° | 59.2° |
NAO | CAH | CAJ | H5 | 120.6° | 120.0° |
NAO | CAH | CAJ | H6 | 120.6° | 120.0° |
CAH | NAO | CAG | H3 | 117.8° | 58.3° |
CAH | NAO | CAG | H4 | 122.8° | 178.3° |
NAO | CAH | H5 | H6 | 118.3° | 119.9° |
NAO | CAH | CAJ | H9 | 167.2° | 179.1° |
NAO | CAH | CAJ | H10 | 73.6° | 60.7° |
CAK | CAV | CAJ | H13 | 118.3° | 120.1° |
CAK | CAV | CAJ | CAH | 124.7° | 177.6° |
CAV | CAK | NAP | H11 | 120.1° | 120.0° |
CAV | CAK | NAP | H12 | 120.1° | 120.1° |
CAV | CAK | NAP | CAR | 106.9° | 180.0° |
CAK | CAV | CAI | H7 | 56.0° | 57.7° |
CAK | CAV | CAI | H8 | 63.7° | 62.5° |
CAK | CAV | CAJ | H9 | 4.4° | 62.4° |
CAK | CAV | CAJ | H10 | 114.9° | 57.7° |
CAV | CAK | H11 | H12 | 119.6° | 119.9° |
CAV | CAK | NAP | H22 | 73.1° | 0.0° |
CAV | CAJ | CAH | H9 | 120.4° | 119.9° |
CAV | CAJ | CAH | H10 | 120.4° | 119.9° |
CAJ | CAV | CAK | NAP | 33.8° | 65.3° |
CAV | CAJ | CAH | H5 | 167.4° | 179.2° |
CAV | CAJ | CAH | H6 | 73.8° | 60.8° |
CAJ | CAV | CAI | H7 | 63.2° | 62.2° |
CAJ | CAV | CAI | H8 | 177.1° | 177.6° |
CAV | CAJ | H9 | H10 | 118.8° | 120.1° |
CAJ | CAV | CAK | H11 | 86.4° | 54.8° |
CAJ | CAV | CAK | H12 | 153.9° | 174.6° |
CAJ | CAH | H5 | H6 | 118.3° | 120.1° |
CAH | CAJ | H9 | H10 | 118.8° | 120.1° |
CAH | CAJ | CAV | H13 | 116.9° | 62.3° |
CAJ | CAH | NAO | H20 | 72.3° | 174.2° |
CAK | NAP | CAR | OAB | 0.7° | 0.1° |
CAK | NAP | CAR | H22 | 180.0° | 179.9° |
CAK | NAP | CAR | CAY | 178.8° | 180.0° |
NAP | CAK | H11 | H12 | 119.6° | 120.0° |
NAP | CAK | CAV | H13 | 85.5° | 54.9° |
OAB | CAR | NAP | CAY | 178.1° | 179.9° |
OAB | CAR | CAY | CAW | 53.9° | 115.1° |
OAB | CAR | CAY | OAQ | 58.6° | 0.3° |
OAB | CAR | CAY | H16 | 176.4° | 122.7° |
OAB | CAR | NAP | H22 | 179.3° | 180.0° |
N7 | C8 | N9 | H1 | 180.0° | 179.9° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C8 | N7 | C5 | C4 | 0.2° | 0.0° |
N7 | C8 | N9 | CAZ | 179.4° | 180.0° |
N7 | C8 | N9 | C4 | 0.4° | 0.4° |
C5 | N7 | C8 | N9 | 0.4° | 0.3° |
N7 | C5 | C6 | N6 | 0.2° | 0.0° |
N7 | C5 | C6 | C4 | 179.7° | 180.0° |
N7 | C5 | C4 | N9 | 0.0° | 0.2° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C4 | N3 | 179.9° | 180.0° |
C5 | N7 | C8 | H1 | 179.6° | 179.8° |
C8 | N9 | C4 | C5 | 0.3° | 0.4° |
C8 | N9 | CAZ | C4 | 178.9° | 179.5° |
C8 | N9 | CAZ | CAX | 27.1° | 95.1° |
C8 | N9 | CAZ | OAQ | 90.7° | 20.3° |
C8 | N9 | C4 | N3 | 179.6° | 179.9° |
C8 | N9 | CAZ | H17 | 151.9° | 142.7° |
NAP | CAR | CAY | CAW | 128.1° | 65.0° |
NAP | CAR | CAY | OAQ | 119.4° | 179.6° |
CAR | NAP | CAK | H11 | 132.9° | 60.0° |
CAR | NAP | CAK | H12 | 13.2° | 59.9° |
NAP | CAR | CAY | H16 | 1.6° | 57.2° |
CAR | CAY | CAW | CAX | 82.0° | 142.8° |
CAR | CAY | CAW | OAQ | 110.1° | 118.8° |
CAR | CAY | CAW | H16 | 128.1° | 122.2° |
CAR | CAY | OAQ | H16 | 117.6° | 122.3° |
CAR | CAY | CAW | OAC | 164.0° | 98.6° |
CAR | CAY | OAQ | CAZ | 110.4° | 159.2° |
CAR | CAY | CAW | H14 | 37.4° | 24.1° |
CAY | CAR | NAP | H22 | 1.2° | 0.1° |
N6 | C6 | C5 | N1 | 179.9° | 180.0° |
N6 | C6 | C5 | C4 | 179.8° | 180.0° |
N6 | C6 | N1 | C2 | 179.4° | 180.0° |
C6 | N6 | H18 | H19 | 120.0° | 180.0° |
C6 | C5 | C4 | N9 | 179.7° | 179.7° |
C6 | C5 | C4 | N3 | 0.4° | 0.0° |
C5 | C6 | N1 | C2 | 0.7° | 0.0° |
C5 | C6 | N6 | H18 | 179.9° | 0.0° |
C5 | C6 | N6 | H19 | 59.9° | 180.0° |
C5 | C4 | N9 | CAZ | 179.3° | 179.9° |
C5 | C4 | N9 | N3 | 179.9° | 179.7° |
C4 | C5 | C6 | N1 | 0.1° | 0.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
N9 | CAZ | CAX | CAW | 156.1° | 142.9° |
N9 | CAZ | CAX | OAD | 87.9° | 98.4° |
N9 | CAZ | CAX | OAQ | 120.7° | 119.0° |
N9 | CAZ | CAX | H17 | 123.0° | 122.2° |
N9 | CAZ | OAQ | CAY | 143.4° | 159.3° |
N9 | CAZ | OAQ | H17 | 118.4° | 122.3° |
CAZ | N9 | C4 | N3 | 0.6° | 0.3° |
CAZ | N9 | C8 | H1 | 0.6° | 0.1° |
N9 | CAZ | CAX | H15 | 39.0° | 24.3° |
C4 | N9 | CAZ | CAX | 151.8° | 85.4° |
C4 | N9 | CAZ | OAQ | 90.4° | 159.2° |
N9 | C4 | N3 | C2 | 179.8° | 179.7° |
C4 | N9 | C8 | H1 | 179.6° | 179.7° |
C4 | N9 | CAZ | H17 | 26.9° | 36.8° |
CAW | CAX | OAD | CAZ | 111.1° | 114.6° |
CAW | CAX | OAD | H15 | 120.1° | 122.6° |
CAW | CAX | CAZ | H15 | 117.1° | 118.6° |
CAX | CAW | CAY | OAC | 114.0° | 118.6° |
CAX | CAW | CAY | H14 | 119.4° | 118.7° |
CAX | CAW | CAY | OAQ | 28.1° | 23.9° |
CAX | CAW | OAC | H14 | 118.7° | 122.6° |
CAW | CAX | CAZ | OAQ | 35.4° | 23.9° |
CAX | CAW | CAY | H16 | 149.9° | 95.0° |
CAW | CAX | CAZ | H17 | 80.8° | 94.9° |
CAX | CAW | OAC | H23 | 180.0° | 178.1° |
CAW | CAX | OAD | H24 | 180.0° | 61.4° |
OAD | CAX | CAZ | H15 | 127.0° | 122.7° |
OAD | CAX | CAW | CAY | 160.7° | 118.7° |
OAD | CAX | CAW | OAC | 44.2° | 0.0° |
OAD | CAX | CAZ | OAQ | 151.4° | 142.6° |
OAD | CAX | CAW | H14 | 76.7° | 122.5° |
OAD | CAX | CAZ | H17 | 35.1° | 23.8° |
CAZ | CAX | CAW | CAY | 43.9° | 0.0° |
CAX | CAZ | OAQ | CAY | 21.5° | 40.4° |
CAZ | CAX | CAW | OAC | 72.5° | 118.7° |
CAX | CAZ | OAQ | H17 | 119.6° | 118.8° |
CAZ | CAX | CAW | H14 | 166.5° | 118.8° |
CAZ | CAX | OAD | H24 | 68.9° | 176.1° |
C6 | N1 | C2 | N3 | 1.2° | 0.1° |
C6 | N1 | C2 | H2 | 178.7° | 180.0° |
N1 | C6 | N6 | H18 | 0.0° | 180.0° |
N1 | C6 | N6 | H19 | 120.0° | 0.0° |
CAW | CAY | OAQ | H16 | 123.7° | 118.9° |
CAY | CAW | OAC | H14 | 127.4° | 122.7° |
CAW | CAY | OAQ | CAZ | 8.2° | 40.4° |
CAY | CAW | CAX | H15 | 77.6° | 118.7° |
CAY | CAW | OAC | H23 | 66.2° | 63.3° |
OAQ | CAY | CAW | OAC | 86.0° | 142.6° |
OAQ | CAY | CAW | H14 | 147.4° | 94.8° |
CAY | OAQ | CAZ | H17 | 98.2° | 78.4° |
OAC | CAW | CAX | H15 | 166.0° | 122.6° |
OAC | CAW | CAY | H16 | 35.9° | 23.6° |
OAQ | CAZ | CAX | H15 | 81.7° | 94.7° |
CAZ | OAQ | CAY | H16 | 131.9° | 78.5° |
C4 | N3 | C2 | N1 | 0.9° | 0.0° |
C4 | N3 | C2 | H2 | 179.1° | 179.9° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
H3 | CAG | CAI | H7 | 174.9° | 179.2° |
H3 | CAG | CAI | H8 | 55.3° | 59.1° |
H3 | CAG | NAO | H20 | 2.9° | 65.8° |
H4 | CAG | CAI | H7 | 55.5° | 59.3° |
H4 | CAG | CAI | H8 | 64.1° | 60.9° |
H4 | CAG | NAO | H20 | 116.6° | 54.1° |
H5 | CAH | CAJ | H9 | 72.3° | 60.9° |
H5 | CAH | CAJ | H10 | 46.9° | 59.2° |
H5 | CAH | NAO | H20 | 48.3° | 54.1° |
H6 | CAH | CAJ | H9 | 46.6° | 59.1° |
H6 | CAH | CAJ | H10 | 165.8° | 179.3° |
H6 | CAH | NAO | H20 | 167.1° | 65.8° |
H7 | CAI | CAV | H13 | 173.7° | 177.8° |
H8 | CAI | CAV | H13 | 54.0° | 57.6° |
H9 | CAJ | CAV | H13 | 122.7° | 57.7° |
H10 | CAJ | CAV | H13 | 3.5° | 177.8° |
H11 | CAK | CAV | H13 | 154.4° | 174.9° |
H11 | CAK | NAP | H22 | 47.1° | 120.1° |
H12 | CAK | CAV | H13 | 34.7° | 65.2° |
H12 | CAK | NAP | H22 | 166.8° | 120.0° |
H14 | CAW | CAX | H15 | 45.0° | 0.1° |
H14 | CAW | CAY | H16 | 90.7° | 146.2° |
H14 | CAW | OAC | H23 | 61.3° | 59.4° |
H15 | CAX | CAZ | H17 | 162.1° | 146.5° |
H15 | CAX | OAD | H24 | 60.0° | 61.2° |