N1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | N05 | sing | 1.41Å | 1.43Å | Aromatic |
| N06 | N07 | doub | 1.29Å | 1.36Å | Aromatic |
| N05 | C04 | sing | 1.35Å | 1.36Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| N07 | N08 | sing | 1.28Å | 1.29Å | Aromatic |
| C04 | N08 | doub | 1.31Å | 1.28Å | Aromatic |
| C04 | N03 | sing | 1.39Å | 1.44Å | |
| N10 | C09 | doub | 1.32Å | 1.33Å | Aromatic |
| N10 | N11 | sing | 1.28Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | C09 | sing | 1.48Å | 1.52Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C25 | sing | 1.41Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.46Å | |
| N11 | C18 | sing | 1.37Å | 1.33Å | Aromatic |
| C25 | C18 | doub | 1.37Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.51Å | |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| N05 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | N06 | N07 | 105.8° | 106.8° |
| N06 | N05 | C04 | 105.5° | 105.3° |
| N06 | N05 | H13 | 127.3° | 127.4° |
| N06 | N07 | N08 | 106.7° | 110.3° |
| N05 | C04 | N08 | 107.6° | 107.1° |
| N05 | C04 | N03 | 123.7° | 126.5° |
| C04 | N05 | H13 | 127.3° | 127.3° |
| O01 | C02 | N03 | 122.4° | 120.0° |
| O01 | C02 | C09 | 121.6° | 120.0° |
| N07 | N08 | C04 | 114.4° | 110.5° |
| N08 | C04 | N03 | 128.7° | 126.4° |
| C04 | N03 | C02 | 125.1° | 120.0° |
| C04 | N03 | H12 | 117.5° | 120.1° |
| C09 | N10 | N11 | 107.8° | 110.4° |
| N10 | C09 | C02 | 128.5° | 126.3° |
| N10 | C09 | C25 | 108.9° | 107.4° |
| N10 | N11 | C12 | 125.8° | 125.0° |
| N10 | N11 | C18 | 106.7° | 109.9° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C16 | C15 | C14 | 119.5° | 120.1° |
| C16 | C15 | H3 | 120.2° | 120.0° |
| C15 | C16 | H4 | 119.8° | 119.9° |
| C16 | C17 | C12 | 120.5° | 120.0° |
| C17 | C16 | H4 | 119.8° | 120.0° |
| C16 | C17 | H5 | 119.8° | 120.0° |
| N03 | C02 | C09 | 116.0° | 120.0° |
| C02 | N03 | H12 | 117.4° | 119.9° |
| C02 | C09 | C25 | 122.7° | 126.3° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C15 | C14 | H2 | 120.0° | 120.0° |
| C14 | C15 | H3 | 120.2° | 119.9° |
| C17 | C12 | C13 | 119.1° | 119.8° |
| C17 | C12 | N11 | 119.5° | 120.1° |
| C12 | C17 | H5 | 119.7° | 120.0° |
| C14 | C13 | C12 | 120.5° | 119.9° |
| C14 | C13 | H1 | 119.7° | 120.1° |
| C13 | C14 | H2 | 120.0° | 119.9° |
| C09 | C25 | C18 | 107.2° | 105.5° |
| C09 | C25 | H11 | 126.4° | 127.3° |
| C13 | C12 | N11 | 121.4° | 120.1° |
| C12 | C13 | H1 | 119.8° | 120.0° |
| C12 | N11 | C18 | 127.4° | 125.0° |
| N11 | C18 | C25 | 109.4° | 106.8° |
| N11 | C18 | C19 | 127.9° | 126.6° |
| C25 | C18 | C19 | 122.6° | 126.6° |
| C18 | C25 | H11 | 126.4° | 127.3° |
| C18 | C19 | C20 | 121.1° | 120.1° |
| C18 | C19 | C24 | 117.1° | 120.1° |
| C19 | C20 | C21 | 118.9° | 119.8° |
| C20 | C19 | C24 | 121.7° | 119.8° |
| C19 | C20 | H6 | 120.5° | 120.1° |
| C20 | C21 | C22 | 119.5° | 120.1° |
| C21 | C20 | H6 | 120.6° | 120.0° |
| C20 | C21 | H7 | 120.2° | 119.9° |
| C19 | C24 | C23 | 119.2° | 119.9° |
| C19 | C24 | H10 | 120.4° | 120.1° |
| C21 | C22 | C23 | 120.8° | 120.3° |
| C22 | C21 | H7 | 120.2° | 119.9° |
| C21 | C22 | H8 | 119.6° | 119.9° |
| C24 | C23 | C22 | 119.8° | 120.1° |
| C24 | C23 | H9 | 120.1° | 119.9° |
| C23 | C24 | H10 | 120.4° | 120.0° |
| C23 | C22 | H8 | 119.6° | 119.8° |
| C22 | C23 | H9 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | N05 | C04 | H13 | 180.0° | 180.0° |
| N05 | N06 | N07 | N08 | 0.1° | 0.0° |
| N06 | N05 | C04 | N08 | 0.2° | 0.1° |
| N06 | N05 | C04 | N03 | 179.1° | 179.8° |
| N07 | N06 | N05 | C04 | 0.2° | 0.0° |
| N06 | N07 | N08 | C04 | 0.0° | 0.0° |
| N07 | N06 | N05 | H13 | 179.8° | 180.0° |
| N05 | C04 | N08 | N07 | 0.1° | 0.1° |
| N05 | C04 | N08 | N03 | 178.9° | 179.8° |
| N05 | C04 | N03 | C02 | 144.2° | 0.2° |
| N05 | C04 | N03 | H12 | 35.7° | 179.7° |
| O01 | C02 | N03 | C04 | 0.8° | 0.3° |
| O01 | C02 | C09 | N10 | 25.3° | 179.4° |
| O01 | C02 | N03 | C09 | 179.2° | 179.7° |
| O01 | C02 | C09 | C25 | 155.2° | 0.3° |
| O01 | C02 | N03 | H12 | 179.3° | 179.8° |
| N07 | N08 | C04 | N03 | 179.0° | 179.8° |
| N08 | C04 | N03 | C02 | 37.0° | 180.0° |
| N08 | C04 | N03 | H12 | 143.0° | 0.1° |
| N08 | C04 | N05 | H13 | 179.8° | 180.0° |
| C04 | N03 | C02 | H12 | 180.0° | 179.9° |
| C04 | N03 | C02 | C09 | 180.0° | 180.0° |
| N03 | C04 | N05 | H13 | 0.9° | 0.2° |
| N10 | C09 | C02 | N03 | 155.5° | 0.3° |
| N10 | C09 | C02 | C25 | 179.5° | 179.7° |
| C09 | N10 | N11 | C12 | 179.7° | 180.0° |
| C09 | N10 | N11 | C18 | 0.9° | 0.1° |
| N10 | C09 | C25 | C18 | 0.1° | 0.3° |
| N10 | C09 | C25 | H11 | 179.9° | 179.8° |
| N11 | N10 | C09 | C02 | 179.9° | 180.0° |
| N10 | N11 | C12 | C17 | 130.1° | 45.0° |
| N11 | N10 | C09 | C25 | 0.5° | 0.3° |
| N10 | N11 | C12 | C13 | 49.6° | 134.7° |
| N10 | N11 | C12 | C18 | 178.5° | 179.9° |
| N10 | N11 | C18 | C25 | 1.0° | 0.1° |
| N10 | N11 | C18 | C19 | 178.7° | 179.8° |
| C15 | C16 | C17 | H4 | 180.0° | 179.7° |
| C16 | C15 | C14 | H3 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.6° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C16 | C15 | C14 | H2 | 179.5° | 180.0° |
| C15 | C16 | C17 | H5 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.3° |
| C16 | C17 | C12 | H5 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 0.0° | 0.6° |
| C16 | C17 | C12 | N11 | 179.7° | 179.7° |
| C17 | C16 | C15 | H3 | 179.6° | 179.8° |
| N03 | C02 | C09 | C25 | 24.1° | 180.0° |
| C02 | C09 | C25 | C18 | 179.5° | 180.0° |
| C02 | C09 | C25 | H11 | 0.5° | 0.0° |
| C09 | C02 | N03 | H12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | H1 | 179.7° | 180.0° |
| C14 | C15 | C16 | H4 | 179.6° | 180.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.2° |
| C17 | C12 | C13 | N11 | 179.7° | 179.7° |
| C17 | C12 | N11 | C18 | 48.4° | 135.1° |
| C17 | C12 | C13 | H1 | 180.0° | 179.7° |
| C12 | C17 | C16 | H4 | 179.9° | 179.7° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 179.7° | 180.0° |
| C13 | C14 | C15 | H3 | 179.5° | 179.9° |
| C09 | C25 | C18 | N11 | 0.7° | 0.2° |
| C09 | C25 | C18 | H11 | 180.0° | 179.9° |
| C09 | C25 | C18 | C19 | 178.5° | 180.0° |
| C13 | C12 | N11 | C18 | 131.9° | 45.2° |
| C12 | C13 | C14 | H2 | 179.7° | 180.0° |
| C13 | C12 | C17 | H5 | 179.9° | 180.0° |
| C12 | N11 | C18 | C25 | 179.7° | 179.9° |
| C12 | N11 | C18 | C19 | 2.6° | 0.1° |
| N11 | C12 | C13 | H1 | 0.3° | 0.0° |
| N11 | C12 | C17 | H5 | 0.3° | 0.2° |
| N11 | C18 | C25 | C19 | 177.8° | 179.8° |
| N11 | C18 | C19 | C20 | 113.9° | 27.2° |
| N11 | C18 | C19 | C24 | 67.6° | 153.0° |
| N11 | C18 | C25 | H11 | 179.3° | 179.9° |
| C25 | C18 | C19 | C20 | 68.7° | 153.0° |
| C25 | C18 | C19 | C24 | 109.8° | 26.7° |
| C18 | C19 | C20 | C24 | 178.5° | 179.8° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C24 | C23 | 179.6° | 179.7° |
| C18 | C19 | C20 | H6 | 0.4° | 0.1° |
| C18 | C19 | C24 | H10 | 0.5° | 0.1° |
| C19 | C18 | C25 | H11 | 1.5° | 0.1° |
| C19 | C20 | C21 | H6 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C20 | C19 | C24 | C23 | 1.0° | 0.5° |
| C19 | C20 | C21 | H7 | 179.0° | 179.9° |
| C20 | C19 | C24 | H10 | 179.0° | 179.7° |
| C21 | C20 | C19 | C24 | 1.1° | 0.2° |
| C20 | C21 | C22 | H7 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.9° | 0.0° |
| C20 | C21 | C22 | H8 | 179.2° | 180.0° |
| C19 | C24 | C23 | H10 | 180.0° | 179.8° |
| C19 | C24 | C23 | C22 | 0.9° | 0.5° |
| C24 | C19 | C20 | H6 | 178.9° | 179.7° |
| C19 | C24 | C23 | H9 | 179.1° | 179.8° |
| C21 | C22 | C23 | C24 | 0.8° | 0.3° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 179.0° | 180.0° |
| C21 | C22 | C23 | H9 | 179.2° | 180.0° |
| C24 | C23 | C22 | H9 | 180.0° | 179.7° |
| C24 | C23 | C22 | H8 | 179.2° | 179.7° |
| C23 | C22 | C21 | H7 | 179.1° | 180.0° |
| C22 | C23 | C24 | H10 | 179.2° | 179.7° |
| H1 | C13 | C14 | H2 | 0.3° | 0.0° |
| H2 | C14 | C15 | H3 | 0.5° | 0.0° |
| H3 | C15 | C16 | H4 | 0.4° | 0.0° |
| H4 | C16 | C17 | H5 | 0.1° | 0.2° |
| H6 | C20 | C21 | H7 | 1.0° | 0.0° |
| H7 | C21 | C22 | H8 | 0.8° | 0.0° |
| H8 | C22 | C23 | H9 | 0.8° | 0.0° |
| H9 | C23 | C24 | H10 | 0.9° | 0.1° |






