1NO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAP | sing | 1.51Å | 1.53Å | |
| SAZ | CAP | sing | 1.76Å | 1.67Å | Aromatic |
| SAZ | CAS | sing | 1.76Å | 1.67Å | Aromatic |
| CAP | CAQ | doub | 1.34Å | 1.40Å | Aromatic |
| NAF | C4 | sing | 1.39Å | 1.34Å | |
| CBA | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| CBB | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| CAS | CAT | sing | 1.48Å | 1.38Å | |
| CAS | NAR | doub | 1.30Å | 1.33Å | Aromatic |
| C6 | NAA | sing | 1.39Å | 1.30Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| CAT | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | SAI | sing | 1.76Å | 1.74Å | |
| CAQ | NAR | sing | 1.31Å | 1.34Å | Aromatic |
| CAQ | CAJ | sing | 1.51Å | 1.54Å | |
| SAI | CAJ | sing | 1.81Å | 1.85Å | |
| CAY | OAX | sing | 1.43Å | 1.43Å | |
| CAW | OAX | sing | 1.36Å | 1.36Å | |
| CAW | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | OAK | sing | 1.36Å | 1.35Å | |
| OAK | CAL | sing | 1.43Å | 1.41Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | FAN | sing | 1.40Å | 1.39Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAY | H6 | sing | 1.09Å | 1.10Å | |
| CAY | H7 | sing | 1.09Å | 1.10Å | |
| CAY | H8 | sing | 1.09Å | 1.10Å | |
| CBB | H9 | sing | 1.08Å | 1.08Å | |
| CBA | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| NAF | H16 | sing | 0.97Å | 1.00Å | |
| NAF | H17 | sing | 0.97Å | 1.00Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| NAA | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAP | SAZ | 125.5° | 125.9° |
| CAO | CAP | CAQ | 126.2° | 125.8° |
| CAP | CAO | H11 | 109.5° | 109.5° |
| CAP | CAO | H12 | 109.4° | 109.5° |
| CAP | CAO | H13 | 109.5° | 109.5° |
| CAP | SAZ | CAS | 94.5° | 89.8° |
| SAZ | CAP | CAQ | 108.4° | 108.3° |
| SAZ | CAS | CAT | 124.9° | 125.4° |
| SAZ | CAS | NAR | 108.7° | 109.1° |
| CAP | CAQ | NAR | 111.9° | 115.9° |
| CAP | CAQ | CAJ | 126.2° | 122.1° |
| NAF | C4 | C5 | 120.6° | 120.4° |
| NAF | C4 | N3 | 119.2° | 120.5° |
| C4 | NAF | H16 | 109.5° | 120.0° |
| C4 | NAF | H17 | 109.5° | 120.0° |
| CBB | CBA | CAT | 119.7° | 119.9° |
| CBA | CBB | CAW | 119.6° | 120.2° |
| CBA | CBB | H9 | 120.2° | 119.9° |
| CBB | CBA | H10 | 120.2° | 120.0° |
| CBA | CAT | CAS | 118.9° | 120.0° |
| CBA | CAT | CAU | 121.1° | 119.9° |
| CAT | CBA | H10 | 120.2° | 120.0° |
| C5 | C4 | N3 | 120.2° | 119.1° |
| C4 | C5 | C6 | 117.7° | 118.5° |
| C4 | C5 | H18 | 121.2° | 120.8° |
| C4 | N3 | C2 | 120.8° | 120.9° |
| CBB | CAW | OAX | 122.3° | 119.9° |
| CBB | CAW | CAV | 120.4° | 120.1° |
| CAW | CBB | H9 | 120.2° | 119.9° |
| C5 | C6 | NAA | 118.7° | 120.5° |
| C5 | C6 | N1 | 120.5° | 119.1° |
| C6 | C5 | H18 | 121.1° | 120.7° |
| N3 | C2 | N1 | 120.5° | 121.7° |
| N3 | C2 | SAI | 117.4° | 119.2° |
| CAT | CAS | NAR | 126.2° | 125.5° |
| CAS | CAT | CAU | 119.8° | 120.1° |
| CAS | NAR | CAQ | 116.5° | 117.0° |
| NAA | C6 | N1 | 120.8° | 120.4° |
| C6 | NAA | H19 | 109.5° | 120.0° |
| C6 | NAA | H20 | 109.5° | 120.0° |
| C6 | N1 | C2 | 120.2° | 120.8° |
| CAT | CAU | CAV | 118.4° | 119.9° |
| CAT | CAU | H5 | 120.8° | 120.0° |
| N1 | C2 | SAI | 122.1° | 119.2° |
| C2 | SAI | CAJ | 102.2° | 100.0° |
| NAR | CAQ | CAJ | 121.8° | 122.0° |
| CAQ | CAJ | SAI | 107.1° | 109.5° |
| CAQ | CAJ | H14 | 110.1° | 109.5° |
| CAQ | CAJ | H15 | 110.1° | 109.5° |
| SAI | CAJ | H14 | 110.0° | 109.5° |
| SAI | CAJ | H15 | 110.0° | 109.4° |
| CAY | OAX | CAW | 114.5° | 117.0° |
| OAX | CAY | H6 | 109.5° | 109.4° |
| OAX | CAY | H7 | 109.5° | 109.5° |
| OAX | CAY | H8 | 109.5° | 109.5° |
| OAX | CAW | CAV | 117.3° | 119.9° |
| CAW | CAV | CAU | 120.8° | 120.0° |
| CAW | CAV | OAK | 116.0° | 120.0° |
| CAU | CAV | OAK | 123.1° | 120.0° |
| CAV | CAU | H5 | 120.8° | 120.1° |
| CAV | OAK | CAL | 114.0° | 117.0° |
| OAK | CAL | CAM | 106.4° | 109.5° |
| OAK | CAL | H3 | 110.2° | 109.5° |
| OAK | CAL | H4 | 110.2° | 109.5° |
| CAL | CAM | FAN | 108.5° | 109.4° |
| CAL | CAM | H1 | 109.7° | 109.5° |
| CAL | CAM | H2 | 109.7° | 109.4° |
| CAM | CAL | H3 | 110.2° | 109.4° |
| CAM | CAL | H4 | 110.2° | 109.5° |
| FAN | CAM | H1 | 109.7° | 109.5° |
| FAN | CAM | H2 | 109.7° | 109.5° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H6 | CAY | H7 | 109.5° | 109.5° |
| H6 | CAY | H8 | 109.5° | 109.4° |
| H7 | CAY | H8 | 109.5° | 109.5° |
| H11 | CAO | H12 | 109.5° | 109.4° |
| H11 | CAO | H13 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
| H16 | NAF | H17 | 109.5° | 120.0° |
| H19 | NAA | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAP | SAZ | CAQ | 179.9° | 179.8° |
| CAO | CAP | SAZ | CAS | 178.9° | 179.9° |
| CAO | CAP | CAQ | NAR | 179.1° | 179.9° |
| CAO | CAP | CAQ | CAJ | 2.3° | 0.3° |
| CAP | CAO | H11 | H12 | 120.0° | 120.0° |
| CAP | CAO | H11 | H13 | 120.0° | 120.1° |
| CAP | CAO | H12 | H13 | 120.0° | 120.1° |
| CAP | SAZ | CAS | CAT | 176.4° | 180.0° |
| CAP | SAZ | CAS | NAR | 1.0° | 0.2° |
| SAZ | CAP | CAQ | NAR | 0.8° | 0.1° |
| SAZ | CAP | CAQ | CAJ | 177.6° | 180.0° |
| SAZ | CAP | CAO | H11 | 0.0° | 0.0° |
| SAZ | CAP | CAO | H12 | 120.0° | 119.9° |
| SAZ | CAP | CAO | H13 | 120.0° | 120.0° |
| CAS | SAZ | CAP | CAQ | 1.0° | 0.2° |
| SAZ | CAS | CAT | CBA | 8.7° | 179.7° |
| SAZ | CAS | CAT | NAR | 174.5° | 179.8° |
| SAZ | CAS | CAT | CAU | 175.6° | 0.1° |
| SAZ | CAS | NAR | CAQ | 0.8° | 0.2° |
| CAP | CAQ | NAR | CAS | 0.0° | 0.1° |
| CAP | CAQ | NAR | CAJ | 176.9° | 179.9° |
| CAP | CAQ | CAJ | SAI | 98.3° | 90.0° |
| CAQ | CAP | CAO | H11 | 179.9° | 179.7° |
| CAQ | CAP | CAO | H12 | 60.1° | 60.4° |
| CAQ | CAP | CAO | H13 | 59.9° | 59.7° |
| CAP | CAQ | CAJ | H14 | 21.3° | 150.0° |
| CAP | CAQ | CAJ | H15 | 142.0° | 30.0° |
| NAF | C4 | C5 | N3 | 179.1° | 179.8° |
| NAF | C4 | C5 | C6 | 179.3° | 179.9° |
| NAF | C4 | N3 | C2 | 179.2° | 179.8° |
| C4 | NAF | H16 | H17 | 120.0° | 179.9° |
| NAF | C4 | C5 | H18 | 0.7° | 0.2° |
| CBB | CBA | CAT | H10 | 180.0° | 179.8° |
| CBA | CBB | CAW | H9 | 180.0° | 180.0° |
| CBB | CBA | CAT | CAS | 178.2° | 180.0° |
| CBB | CBA | CAT | CAU | 2.5° | 0.2° |
| CBA | CBB | CAW | OAX | 179.2° | 180.0° |
| CBA | CBB | CAW | CAV | 0.8° | 0.0° |
| CAT | CBA | CBB | CAW | 1.7° | 0.2° |
| CBA | CAT | CAS | CAU | 175.7° | 179.8° |
| CBA | CAT | CAS | NAR | 165.9° | 0.0° |
| CBA | CAT | CAU | CAV | 2.4° | 0.1° |
| CBA | CAT | CAU | H5 | 177.6° | 180.0° |
| CAT | CBA | CBB | H9 | 178.3° | 179.8° |
| C4 | C5 | C6 | H18 | 180.0° | 179.8° |
| C5 | C4 | N3 | C2 | 1.6° | 0.0° |
| C4 | C5 | C6 | NAA | 179.4° | 180.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.5° |
| C5 | C4 | NAF | H16 | 179.2° | 0.1° |
| C5 | C4 | NAF | H17 | 60.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | N3 | C2 | N1 | 1.8° | 0.0° |
| C4 | N3 | C2 | SAI | 179.2° | 179.7° |
| N3 | C4 | NAF | H16 | 0.0° | 179.8° |
| N3 | C4 | NAF | H17 | 120.0° | 0.1° |
| N3 | C4 | C5 | H18 | 179.8° | 180.0° |
| CBB | CAW | OAX | CAY | 22.8° | 0.0° |
| CBB | CAW | OAX | CAV | 180.0° | 180.0° |
| CBB | CAW | CAV | CAU | 0.7° | 0.2° |
| CBB | CAW | CAV | OAK | 179.3° | 179.9° |
| CAW | CBB | CBA | H10 | 178.3° | 180.0° |
| C5 | C6 | NAA | N1 | 178.3° | 179.5° |
| C5 | C6 | N1 | C2 | 0.8° | 0.6° |
| C5 | C6 | NAA | H19 | 178.3° | 0.0° |
| C5 | C6 | NAA | H20 | 61.7° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.3° |
| N3 | C2 | N1 | SAI | 178.9° | 179.7° |
| N3 | C2 | SAI | CAJ | 173.8° | 0.3° |
| CAT | CAS | NAR | CAQ | 176.1° | 180.0° |
| CAS | CAT | CAU | CAV | 178.1° | 179.7° |
| CAS | CAT | CAU | H5 | 1.9° | 0.1° |
| CAS | CAT | CBA | H10 | 1.8° | 0.2° |
| NAR | CAS | CAT | CAU | 9.9° | 179.8° |
| CAS | NAR | CAQ | CAJ | 176.9° | 179.8° |
| NAA | C6 | N1 | C2 | 179.1° | 180.0° |
| NAA | C6 | C5 | H18 | 0.6° | 0.2° |
| C6 | NAA | H19 | H20 | 120.0° | 180.0° |
| C6 | N1 | C2 | SAI | 179.5° | 180.0° |
| N1 | C6 | C5 | H18 | 179.0° | 179.7° |
| N1 | C6 | NAA | H19 | 0.0° | 179.5° |
| N1 | C6 | NAA | H20 | 120.0° | 0.5° |
| CAT | CAU | CAV | CAW | 1.5° | 0.3° |
| CAT | CAU | CAV | H5 | 180.0° | 179.9° |
| CAT | CAU | CAV | OAK | 180.0° | 180.0° |
| CAU | CAT | CBA | H10 | 177.5° | 180.0° |
| N1 | C2 | SAI | CAJ | 5.1° | 180.0° |
| C2 | SAI | CAJ | CAQ | 136.7° | 180.0° |
| C2 | SAI | CAJ | H14 | 17.1° | 60.0° |
| C2 | SAI | CAJ | H15 | 103.7° | 60.0° |
| NAR | CAQ | CAJ | SAI | 78.1° | 89.9° |
| NAR | CAQ | CAJ | H14 | 162.3° | 30.1° |
| NAR | CAQ | CAJ | H15 | 41.5° | 150.2° |
| CAQ | CAJ | SAI | H14 | 119.6° | 120.0° |
| CAQ | CAJ | SAI | H15 | 119.6° | 120.0° |
| CAQ | CAJ | H14 | H15 | 121.1° | 120.0° |
| SAI | CAJ | H14 | H15 | 121.0° | 120.0° |
| CAY | OAX | CAW | CAV | 157.2° | 180.0° |
| OAX | CAY | H6 | H7 | 120.0° | 120.0° |
| OAX | CAY | H6 | H8 | 120.0° | 120.0° |
| OAX | CAY | H7 | H8 | 120.0° | 120.1° |
| OAX | CAW | CAV | CAU | 179.3° | 179.8° |
| OAX | CAW | CAV | OAK | 0.7° | 0.1° |
| CAW | OAX | CAY | H6 | 180.0° | 180.0° |
| CAW | OAX | CAY | H7 | 60.0° | 60.0° |
| CAW | OAX | CAY | H8 | 60.0° | 60.0° |
| OAX | CAW | CBB | H9 | 0.8° | 0.0° |
| CAW | CAV | CAU | OAK | 178.5° | 179.7° |
| CAW | CAV | OAK | CAL | 146.6° | 179.7° |
| CAW | CAV | CAU | H5 | 178.5° | 179.8° |
| CAV | CAW | CBB | H9 | 179.2° | 180.0° |
| CAU | CAV | OAK | CAL | 34.8° | 0.0° |
| CAV | OAK | CAL | CAM | 171.0° | 180.0° |
| CAV | OAK | CAL | H3 | 51.5° | 60.0° |
| CAV | OAK | CAL | H4 | 69.5° | 60.0° |
| OAK | CAV | CAU | H5 | 0.0° | 0.1° |
| OAK | CAL | CAM | H3 | 119.5° | 120.0° |
| OAK | CAL | CAM | H4 | 119.5° | 120.0° |
| OAK | CAL | CAM | FAN | 113.1° | 65.0° |
| OAK | CAL | CAM | H1 | 6.7° | 55.0° |
| OAK | CAL | CAM | H2 | 127.0° | 175.0° |
| OAK | CAL | H3 | H4 | 121.4° | 120.1° |
| CAL | CAM | FAN | H1 | 119.8° | 120.0° |
| CAL | CAM | FAN | H2 | 119.9° | 120.0° |
| CAL | CAM | H1 | H2 | 120.5° | 120.0° |
| CAM | CAL | H3 | H4 | 121.4° | 120.0° |
| FAN | CAM | H1 | H2 | 120.5° | 120.0° |
| FAN | CAM | CAL | H3 | 127.4° | 175.0° |
| FAN | CAM | CAL | H4 | 6.4° | 55.0° |
| H1 | CAM | CAL | H3 | 112.8° | 65.0° |
| H1 | CAM | CAL | H4 | 126.2° | 175.0° |
| H2 | CAM | CAL | H3 | 7.5° | 55.0° |
| H2 | CAM | CAL | H4 | 113.5° | 65.0° |
| H6 | CAY | H7 | H8 | 120.0° | 120.0° |
| H9 | CBB | CBA | H10 | 1.7° | 0.0° |
| H11 | CAO | H12 | H13 | 120.0° | 120.0° |
