N0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.38Å | Aromatic |
| C8 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C7 | sing | 1.37Å | 1.40Å | Aromatic |
| N3 | C9 | sing | 1.40Å | 1.44Å | |
| C7 | N | sing | 1.39Å | 1.36Å | |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| CL | C | sing | 1.74Å | 1.74Å | |
| C16 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C15 | sing | 1.52Å | 1.51Å | |
| C5 | C4 | sing | 1.55Å | 1.52Å | |
| C15 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.38Å | |
| C4 | O | sing | 1.44Å | 1.46Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N2 | N1 | 107.8° | 110.1° |
| N2 | C8 | N3 | 111.6° | 107.3° |
| N2 | C8 | H4 | 124.2° | 126.3° |
| N2 | N1 | C7 | 107.4° | 109.9° |
| C8 | N3 | C7 | 103.1° | 105.7° |
| C8 | N3 | C9 | 123.7° | 127.2° |
| N3 | C8 | H4 | 124.2° | 126.4° |
| N1 | C7 | N3 | 110.0° | 107.0° |
| N1 | C7 | N | 124.4° | 126.5° |
| C7 | N3 | C9 | 132.8° | 127.1° |
| N3 | C7 | N | 123.9° | 126.5° |
| N3 | C9 | C14 | 119.5° | 120.1° |
| N3 | C9 | C10 | 120.3° | 120.1° |
| C7 | N | C6 | 136.5° | 120.0° |
| C7 | N | H10 | 111.8° | 120.0° |
| C14 | C9 | C10 | 119.8° | 119.8° |
| C9 | C14 | C13 | 119.7° | 120.0° |
| C9 | C14 | H11 | 120.1° | 120.0° |
| C9 | C10 | C11 | 119.7° | 119.9° |
| C9 | C10 | H5 | 120.2° | 120.0° |
| N | C6 | O1 | 122.1° | 120.0° |
| N | C6 | C5 | 114.9° | 120.0° |
| C6 | N | H10 | 111.7° | 120.0° |
| C14 | C13 | C12 | 120.4° | 120.1° |
| C14 | C13 | H6 | 119.8° | 120.0° |
| C13 | C14 | H11 | 120.2° | 120.1° |
| O1 | C6 | C5 | 122.5° | 120.0° |
| C6 | C5 | C15 | 109.7° | 110.9° |
| C6 | C5 | C4 | 108.0° | 111.0° |
| C6 | C5 | H3 | 112.3° | 110.8° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C11 | C10 | H5 | 120.2° | 120.0° |
| C10 | C11 | H13 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C12 | C13 | H6 | 119.8° | 119.9° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| CL | C | C16 | 118.8° | 120.1° |
| CL | C | C1 | 119.3° | 120.1° |
| C | C16 | C15 | 118.7° | 120.0° |
| C16 | C | C1 | 121.8° | 119.8° |
| C | C16 | H9 | 120.6° | 120.1° |
| C16 | C15 | C5 | 131.7° | 132.2° |
| C16 | C15 | C3 | 119.4° | 120.8° |
| C15 | C16 | H9 | 120.6° | 120.0° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C12 | C11 | H13 | 119.8° | 120.0° |
| C | C1 | C2 | 119.5° | 120.3° |
| C | C1 | H8 | 120.3° | 119.8° |
| C15 | C5 | C4 | 101.3° | 102.0° |
| C5 | C15 | C3 | 108.9° | 107.0° |
| C15 | C5 | H3 | 112.6° | 111.0° |
| C5 | C4 | O | 104.9° | 102.8° |
| C5 | C4 | H1 | 110.6° | 110.8° |
| C5 | C4 | H2 | 110.6° | 111.0° |
| C4 | C5 | H3 | 112.4° | 110.9° |
| C15 | C3 | C2 | 122.1° | 118.9° |
| C15 | C3 | O | 110.7° | 111.3° |
| C1 | C2 | C3 | 118.5° | 120.3° |
| C1 | C2 | H7 | 120.8° | 119.9° |
| C2 | C1 | H8 | 120.2° | 119.8° |
| C2 | C3 | O | 127.2° | 129.9° |
| C3 | C2 | H7 | 120.7° | 119.9° |
| C3 | O | C4 | 108.0° | 109.2° |
| O | C4 | H1 | 110.6° | 110.7° |
| O | C4 | H2 | 110.6° | 110.7° |
| H1 | C4 | H2 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C8 | N3 | H4 | 180.0° | 179.9° |
| C8 | N2 | N1 | C7 | 1.7° | 0.0° |
| N2 | C8 | N3 | C7 | 1.0° | 0.0° |
| N2 | C8 | N3 | C9 | 172.6° | 179.9° |
| N1 | N2 | C8 | N3 | 0.3° | 0.0° |
| N2 | N1 | C7 | N3 | 2.3° | 0.1° |
| N2 | N1 | C7 | N | 163.1° | 180.0° |
| N1 | N2 | C8 | H4 | 179.6° | 179.9° |
| C8 | N3 | C7 | N1 | 2.0° | 0.0° |
| C8 | N3 | C7 | C9 | 172.7° | 179.9° |
| C8 | N3 | C7 | N | 163.5° | 180.0° |
| C8 | N3 | C9 | C14 | 53.1° | 50.1° |
| C8 | N3 | C9 | C10 | 119.7° | 129.9° |
| N1 | C7 | N3 | N | 165.5° | 179.9° |
| N1 | C7 | N3 | C9 | 170.6° | 180.0° |
| N1 | C7 | N | C6 | 115.4° | 0.1° |
| N1 | C7 | N | H10 | 64.6° | 180.0° |
| C7 | N3 | C9 | C14 | 118.3° | 130.1° |
| C7 | N3 | C9 | C10 | 68.9° | 50.0° |
| N3 | C7 | N | C6 | 48.0° | 180.0° |
| C7 | N3 | C8 | H4 | 179.0° | 179.9° |
| N3 | C7 | N | H10 | 132.0° | 0.1° |
| C9 | N3 | C7 | N | 23.8° | 0.1° |
| N3 | C9 | C14 | C10 | 172.8° | 180.0° |
| N3 | C9 | C14 | C13 | 171.6° | 180.0° |
| N3 | C9 | C10 | C11 | 171.5° | 180.0° |
| C9 | N3 | C8 | H4 | 7.4° | 0.0° |
| N3 | C9 | C10 | H5 | 8.6° | 0.3° |
| N3 | C9 | C14 | H11 | 8.4° | 0.0° |
| C7 | N | C6 | H10 | 180.0° | 179.9° |
| C7 | N | C6 | O1 | 14.3° | 0.1° |
| C7 | N | C6 | C5 | 174.1° | 180.0° |
| C9 | C14 | C13 | H11 | 180.0° | 180.0° |
| C14 | C9 | C10 | C11 | 1.3° | 0.0° |
| C9 | C14 | C13 | C12 | 0.3° | 0.2° |
| C14 | C9 | C10 | H5 | 178.7° | 179.7° |
| C9 | C14 | C13 | H6 | 179.7° | 179.7° |
| C10 | C9 | C14 | C13 | 1.3° | 0.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.2° |
| C10 | C9 | C14 | H11 | 178.7° | 180.0° |
| C9 | C10 | C11 | H13 | 179.6° | 179.7° |
| N | C6 | O1 | C5 | 171.0° | 179.9° |
| N | C6 | C5 | C15 | 138.3° | 180.0° |
| N | C6 | C5 | C4 | 112.2° | 67.4° |
| N | C6 | C5 | H3 | 12.3° | 56.3° |
| C14 | C13 | C12 | H6 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.6° | 0.5° |
| C14 | C13 | C12 | H12 | 179.4° | 179.5° |
| O1 | C6 | C5 | C15 | 33.3° | 0.1° |
| O1 | C6 | C5 | C4 | 76.2° | 112.5° |
| O1 | C6 | C5 | H3 | 159.3° | 123.8° |
| O1 | C6 | N | H10 | 165.7° | 180.0° |
| C6 | C5 | C15 | C16 | 80.2° | 46.3° |
| C6 | C5 | C15 | C4 | 113.9° | 118.2° |
| C6 | C5 | C15 | H3 | 125.8° | 123.6° |
| C6 | C5 | C4 | H3 | 124.4° | 123.6° |
| C6 | C5 | C15 | C3 | 98.6° | 133.6° |
| C6 | C5 | C4 | O | 91.9° | 143.5° |
| C6 | C5 | C4 | H1 | 27.4° | 25.1° |
| C6 | C5 | C4 | H2 | 148.8° | 98.1° |
| C5 | C6 | N | H10 | 5.9° | 0.1° |
| C10 | C11 | C12 | C13 | 0.5° | 0.5° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.5° | 179.5° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | H11 | 179.7° | 179.8° |
| C13 | C12 | C11 | H13 | 179.5° | 179.5° |
| CL | C | C16 | C1 | 179.0° | 180.0° |
| CL | C | C16 | C15 | 178.2° | 180.0° |
| CL | C | C1 | C2 | 179.0° | 179.9° |
| CL | C | C1 | H8 | 1.0° | 0.2° |
| CL | C | C16 | H9 | 1.8° | 0.0° |
| C | C16 | C15 | H9 | 180.0° | 180.0° |
| C | C16 | C15 | C5 | 177.8° | 179.6° |
| C | C16 | C15 | C3 | 1.0° | 0.3° |
| C16 | C | C1 | C2 | 0.1° | 0.1° |
| C16 | C | C1 | H8 | 179.9° | 179.8° |
| C15 | C16 | C | C1 | 0.8° | 0.0° |
| C16 | C15 | C5 | C3 | 178.9° | 179.9° |
| C16 | C15 | C5 | C4 | 165.8° | 164.6° |
| C16 | C15 | C3 | C2 | 0.5° | 0.5° |
| C16 | C15 | C3 | O | 179.9° | 179.0° |
| C16 | C15 | C5 | H3 | 45.6° | 77.3° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C11 | C12 | C13 | H6 | 179.4° | 180.0° |
| C | C1 | C2 | H8 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.6° | 0.1° |
| C | C1 | C2 | H7 | 179.4° | 180.0° |
| C1 | C | C16 | H9 | 179.2° | 180.0° |
| C15 | C5 | C4 | H3 | 120.4° | 118.2° |
| C5 | C15 | C3 | C2 | 178.6° | 179.5° |
| C5 | C15 | C3 | O | 0.9° | 1.1° |
| C15 | C5 | C4 | O | 23.3° | 25.3° |
| C15 | C5 | C4 | H1 | 142.6° | 93.1° |
| C15 | C5 | C4 | H2 | 96.0° | 143.7° |
| C5 | C15 | C16 | H9 | 2.2° | 0.4° |
| C4 | C5 | C15 | C3 | 15.3° | 15.4° |
| C5 | C4 | O | C3 | 24.3° | 27.7° |
| C5 | C4 | O | H1 | 119.3° | 118.4° |
| C5 | C4 | O | H2 | 119.3° | 118.6° |
| C5 | C4 | H1 | H2 | 122.1° | 123.5° |
| C15 | C3 | C2 | C1 | 0.4° | 0.4° |
| C15 | C3 | C2 | O | 179.4° | 179.3° |
| C15 | C3 | O | C4 | 15.0° | 19.0° |
| C3 | C15 | C5 | H3 | 135.6° | 102.8° |
| C15 | C3 | C2 | H7 | 179.6° | 179.7° |
| C3 | C15 | C16 | H9 | 179.0° | 179.7° |
| C1 | C2 | C3 | H7 | 180.0° | 179.9° |
| C1 | C2 | C3 | O | 179.0° | 179.0° |
| C2 | C3 | O | C4 | 165.5° | 161.6° |
| C3 | C2 | C1 | H8 | 179.3° | 180.0° |
| C3 | O | C4 | H1 | 143.6° | 90.6° |
| C3 | O | C4 | H2 | 94.9° | 146.3° |
| O | C3 | C2 | H7 | 1.0° | 1.0° |
| O | C4 | H1 | H2 | 122.1° | 123.1° |
| O | C4 | C5 | H3 | 143.7° | 92.9° |
| H1 | C4 | C5 | H3 | 97.0° | 148.8° |
| H2 | C4 | C5 | H3 | 24.4° | 25.5° |
| H5 | C10 | C11 | H13 | 0.4° | 0.0° |
| H6 | C13 | C14 | H11 | 0.3° | 0.3° |
| H6 | C13 | C12 | H12 | 0.6° | 0.0° |
| H7 | C2 | C1 | H8 | 0.7° | 0.1° |
| H12 | C12 | C11 | H13 | 0.5° | 0.6° |
