NNN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C15 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C15 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.38Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N6 | C6 | sing | 1.37Å | 1.34Å | |
| C6 | N5 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | N5 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.31Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | C9' | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9' | C4 | doub | 1.38Å | 1.47Å | Aromatic |
| C9' | C9 | sing | 1.51Å | 1.49Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| N6 | CA' | sing | 1.47Å | 1.45Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C1' | CA' | sing | 1.51Å | 1.50Å | |
| CA' | HA' | sing | 1.09Å | 1.10Å | |
| CA' | HA'A | sing | 1.09Å | 1.10Å | |
| C6' | C1' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C2' | sing | 1.38Å | 1.39Å | Aromatic |
| C5' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C5' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C4' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C3' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C15 | C12 | 110.4° | 109.5° |
| O1 | C15 | H15 | 109.2° | 109.5° |
| O1 | C15 | H15A | 109.0° | 109.5° |
| C12 | C15 | H15 | 109.2° | 109.5° |
| C12 | C15 | H15A | 109.0° | 109.5° |
| C15 | C12 | N2 | 112.2° | 109.5° |
| C15 | C12 | C13 | 111.3° | 109.5° |
| C15 | C12 | H12 | 106.9° | 109.5° |
| H15 | C15 | H15A | 110.2° | 109.5° |
| N2 | C12 | C13 | 111.0° | 109.4° |
| N2 | C12 | H12 | 107.2° | 109.5° |
| C12 | N2 | C2 | 117.2° | 120.0° |
| C12 | N2 | HN2 | 107.0° | 120.0° |
| C13 | C12 | H12 | 108.1° | 109.5° |
| C12 | C13 | C14 | 108.5° | 109.5° |
| C12 | C13 | H13 | 109.8° | 109.5° |
| C12 | C13 | H13A | 110.0° | 109.5° |
| C14 | C13 | H13 | 109.8° | 109.4° |
| C14 | C13 | H13A | 110.0° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.4° |
| H13 | C13 | H13A | 108.7° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C2 | N2 | HN2 | 107.0° | 120.0° |
| N2 | C2 | N1 | 120.1° | 119.4° |
| N2 | C2 | N3 | 119.3° | 119.5° |
| N1 | C2 | N3 | 120.6° | 121.1° |
| C2 | N1 | C6 | 120.3° | 120.9° |
| C2 | N3 | C4 | 116.4° | 120.0° |
| N1 | C6 | N6 | 120.6° | 120.3° |
| N1 | C6 | N5 | 119.0° | 119.5° |
| N6 | C6 | N5 | 120.4° | 120.2° |
| C6 | N6 | CA' | 120.4° | 120.0° |
| C6 | N6 | HN6 | 106.0° | 120.0° |
| C6 | N5 | N7 | 126.1° | 133.4° |
| C6 | N5 | C4 | 119.6° | 119.0° |
| N7 | N5 | C4 | 114.4° | 107.6° |
| N5 | N7 | C8 | 106.8° | 108.9° |
| N5 | C4 | C9' | 102.3° | 107.0° |
| N5 | C4 | N3 | 124.1° | 119.4° |
| N7 | C8 | C9' | 106.8° | 108.9° |
| N7 | C8 | H8 | 126.6° | 125.6° |
| C9' | C8 | H8 | 126.6° | 125.5° |
| C8 | C9' | C4 | 109.7° | 107.6° |
| C8 | C9' | C9 | 123.2° | 126.2° |
| C4 | C9' | C9 | 127.1° | 126.2° |
| C9' | C4 | N3 | 133.6° | 133.6° |
| C9' | C9 | C11 | 113.3° | 109.5° |
| C9' | C9 | C10 | 110.7° | 109.5° |
| C9' | C9 | H9 | 106.5° | 109.5° |
| C11 | C9 | C10 | 111.3° | 109.4° |
| C11 | C9 | H9 | 105.9° | 109.4° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C9 | C11 | H11A | 109.5° | 109.5° |
| C9 | C11 | H11B | 109.5° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| CA' | N6 | HN6 | 106.0° | 120.0° |
| N6 | CA' | C1' | 108.4° | 109.4° |
| N6 | CA' | HA' | 109.8° | 109.4° |
| N6 | CA' | HA'A | 110.1° | 109.4° |
| C1' | CA' | HA' | 109.9° | 109.5° |
| C1' | CA' | HA'A | 110.1° | 109.5° |
| CA' | C1' | C6' | 119.9° | 120.0° |
| CA' | C1' | C2' | 119.6° | 120.0° |
| HA' | CA' | HA'A | 108.6° | 109.5° |
| C6' | C1' | C2' | 120.5° | 120.0° |
| C1' | C6' | C5' | 120.0° | 120.0° |
| C1' | C6' | H6' | 120.0° | 120.0° |
| C1' | C2' | C3' | 119.3° | 120.0° |
| C1' | C2' | H2' | 120.3° | 120.0° |
| C5' | C6' | H6' | 120.0° | 120.0° |
| C6' | C5' | C4' | 119.6° | 120.0° |
| C6' | C5' | H5' | 120.2° | 120.0° |
| C4' | C5' | H5' | 120.2° | 120.0° |
| C5' | C4' | C3' | 120.2° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.0° |
| C3' | C4' | H4' | 119.9° | 120.0° |
| C4' | C3' | C2' | 120.4° | 120.0° |
| C4' | C3' | H3' | 119.8° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| C3' | C2' | H2' | 120.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C15 | C12 | H15 | 120.0° | 120.0° |
| O1 | C15 | C12 | H15A | 119.6° | 120.0° |
| O1 | C15 | H15 | H15A | 119.6° | 120.0° |
| O1 | C15 | C12 | N2 | 4.2° | 65.0° |
| O1 | C15 | C12 | C13 | 129.2° | 55.0° |
| O1 | C15 | C12 | H12 | 112.9° | 175.0° |
| HO1 | O1 | C15 | C12 | 45.5° | 180.0° |
| HO1 | O1 | C15 | H15 | 74.5° | 60.0° |
| HO1 | O1 | C15 | H15A | 165.1° | 60.0° |
| C12 | C15 | H15 | H15A | 119.6° | 120.0° |
| C15 | C12 | N2 | C13 | 125.1° | 120.0° |
| C15 | C12 | N2 | H12 | 117.0° | 120.0° |
| C15 | C12 | C13 | H12 | 117.1° | 120.1° |
| C15 | C12 | C13 | C14 | 129.4° | 175.0° |
| C15 | C12 | C13 | H13 | 9.4° | 55.0° |
| C15 | C12 | C13 | H13A | 110.2° | 65.0° |
| C15 | C12 | N2 | C2 | 137.9° | 155.0° |
| C15 | C12 | N2 | HN2 | 102.1° | 25.0° |
| H15 | C15 | C12 | N2 | 124.2° | 55.0° |
| H15 | C15 | C12 | C13 | 110.8° | 175.0° |
| H15 | C15 | C12 | H12 | 7.1° | 65.0° |
| H15A | C15 | C12 | N2 | 115.4° | 175.0° |
| H15A | C15 | C12 | C13 | 9.6° | 65.0° |
| H15A | C15 | C12 | H12 | 127.5° | 55.0° |
| N2 | C12 | C13 | H12 | 117.3° | 120.0° |
| N2 | C12 | C13 | C14 | 104.9° | 65.0° |
| N2 | C12 | C13 | H13 | 135.1° | 175.0° |
| N2 | C12 | C13 | H13A | 15.5° | 55.0° |
| C12 | N2 | C2 | HN2 | 120.0° | 180.0° |
| C12 | N2 | C2 | N1 | 175.6° | 0.3° |
| C12 | N2 | C2 | N3 | 4.3° | 180.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.4° | 120.0° |
| C12 | C13 | H13 | H13A | 120.4° | 120.0° |
| C12 | C13 | C14 | H14 | 153.4° | 59.9° |
| C12 | C13 | C14 | H14A | 86.5° | 180.0° |
| C12 | C13 | C14 | H14B | 33.5° | 60.0° |
| C13 | C12 | N2 | C2 | 97.0° | 85.0° |
| C13 | C12 | N2 | HN2 | 23.0° | 95.0° |
| H12 | C12 | C13 | C14 | 12.4° | 55.0° |
| H12 | C12 | C13 | H13 | 107.6° | 65.0° |
| H12 | C12 | C13 | H13A | 132.7° | 175.0° |
| H12 | C12 | N2 | C2 | 20.9° | 35.0° |
| H12 | C12 | N2 | HN2 | 140.9° | 145.0° |
| C14 | C13 | H13 | H13A | 120.4° | 119.9° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 119.9° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 33.4° | 60.1° |
| H13 | C13 | C14 | H14A | 153.5° | 60.0° |
| H13 | C13 | C14 | H14B | 86.5° | 180.0° |
| H13A | C13 | C14 | H14 | 86.2° | 180.0° |
| H13A | C13 | C14 | H14A | 33.9° | 60.0° |
| H13A | C13 | C14 | H14B | 153.9° | 60.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| N2 | C2 | N1 | N3 | 179.9° | 179.8° |
| N2 | C2 | N1 | C6 | 179.8° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| HN2 | N2 | C2 | N1 | 55.6° | 179.7° |
| HN2 | N2 | C2 | N3 | 124.3° | 0.0° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| C2 | N1 | C6 | N5 | 0.0° | 0.1° |
| N1 | C2 | N3 | C4 | 0.2° | 0.5° |
| N3 | C2 | N1 | C6 | 0.1° | 0.2° |
| C2 | N3 | C4 | N5 | 0.3° | 0.5° |
| C2 | N3 | C4 | C9' | 179.8° | 179.8° |
| N1 | C6 | N6 | N5 | 179.7° | 179.9° |
| N1 | C6 | N5 | N7 | 179.8° | 180.0° |
| N1 | C6 | N5 | C4 | 0.0° | 0.1° |
| N1 | C6 | N6 | CA' | 10.3° | 0.0° |
| N1 | C6 | N6 | HN6 | 109.6° | 180.0° |
| N6 | C6 | N5 | N7 | 0.1° | 0.1° |
| N6 | C6 | N5 | C4 | 179.7° | 180.0° |
| C6 | N6 | CA' | HN6 | 120.0° | 180.0° |
| C6 | N6 | CA' | C1' | 102.8° | 180.0° |
| C6 | N6 | CA' | HA' | 137.2° | 60.0° |
| C6 | N6 | CA' | HA'A | 17.6° | 60.0° |
| C6 | N5 | N7 | C4 | 179.8° | 179.9° |
| C6 | N5 | N7 | C8 | 179.5° | 180.0° |
| C6 | N5 | C4 | C9' | 179.9° | 180.0° |
| C6 | N5 | C4 | N3 | 0.2° | 0.2° |
| N5 | C6 | N6 | CA' | 169.4° | 179.9° |
| N5 | C6 | N6 | HN6 | 70.7° | 0.1° |
| N5 | N7 | C8 | C9' | 0.4° | 0.0° |
| N5 | N7 | C8 | H8 | 179.5° | 180.0° |
| N7 | N5 | C4 | C9' | 0.1° | 0.0° |
| N7 | N5 | C4 | N3 | 180.0° | 179.7° |
| C4 | N5 | N7 | C8 | 0.2° | 0.0° |
| N5 | C4 | C9' | C8 | 0.4° | 0.0° |
| N5 | C4 | C9' | N3 | 179.9° | 179.7° |
| N5 | C4 | C9' | C9 | 179.1° | 179.9° |
| N7 | C8 | C9' | H8 | 180.0° | 180.0° |
| N7 | C8 | C9' | C4 | 0.5° | 0.0° |
| N7 | C8 | C9' | C9 | 179.3° | 180.0° |
| C8 | C9' | C4 | C9 | 178.7° | 179.9° |
| C8 | C9' | C9 | C11 | 127.3° | 60.0° |
| C8 | C9' | C9 | C10 | 106.9° | 60.0° |
| C8 | C9' | C9 | H9 | 11.3° | 180.0° |
| C8 | C9' | C4 | N3 | 179.7° | 179.7° |
| H8 | C8 | C9' | C4 | 179.5° | 180.0° |
| H8 | C8 | C9' | C9 | 0.7° | 0.1° |
| C4 | C9' | C9 | C11 | 54.2° | 120.0° |
| C4 | C9' | C9 | C10 | 71.6° | 120.0° |
| C4 | C9' | C9 | H9 | 170.3° | 0.1° |
| C9' | C9 | C11 | C10 | 125.5° | 120.0° |
| C9' | C9 | C11 | H9 | 116.4° | 120.0° |
| C9' | C9 | C10 | H9 | 116.7° | 120.1° |
| C9' | C9 | C10 | H10 | 165.5° | 180.0° |
| C9' | C9 | C10 | H10A | 45.5° | 60.0° |
| C9' | C9 | C10 | H10B | 74.5° | 59.9° |
| C9' | C9 | C11 | H11 | 49.6° | 59.9° |
| C9' | C9 | C11 | H11A | 70.4° | 180.0° |
| C9' | C9 | C11 | H11B | 169.6° | 60.0° |
| C9 | C9' | C4 | N3 | 1.0° | 0.3° |
| C11 | C9 | C10 | H9 | 116.3° | 119.9° |
| C11 | C9 | C10 | H10 | 38.5° | 60.0° |
| C11 | C9 | C10 | H10A | 81.5° | 180.0° |
| C11 | C9 | C10 | H10B | 158.5° | 60.1° |
| C9 | C11 | H11 | H11A | 120.0° | 120.0° |
| C9 | C11 | H11 | H11B | 120.0° | 120.0° |
| C9 | C11 | H11A | H11B | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10B | 120.0° | 120.1° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 175.1° | 180.0° |
| C10 | C9 | C11 | H11A | 55.1° | 60.0° |
| C10 | C9 | C11 | H11B | 64.9° | 60.1° |
| H9 | C9 | C10 | H10 | 77.8° | 59.9° |
| H9 | C9 | C10 | H10A | 162.2° | 60.1° |
| H9 | C9 | C10 | H10B | 42.2° | NaN° |
| H9 | C9 | C11 | H11 | 66.8° | 60.0° |
| H9 | C9 | C11 | H11A | 173.2° | 60.0° |
| H9 | C9 | C11 | H11B | 53.2° | 180.0° |
| H10 | C10 | H10A | H10B | 119.9° | 120.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| N6 | CA' | C1' | HA' | 120.0° | 120.0° |
| N6 | CA' | C1' | HA'A | 120.4° | 120.0° |
| N6 | CA' | HA' | HA'A | 120.4° | 119.9° |
| N6 | CA' | C1' | C6' | 47.4° | 89.7° |
| N6 | CA' | C1' | C2' | 131.9° | 90.0° |
| HN6 | N6 | CA' | C1' | 17.2° | 0.0° |
| HN6 | N6 | CA' | HA' | 102.8° | 120.0° |
| HN6 | N6 | CA' | HA'A | 137.6° | 120.0° |
| C1' | CA' | HA' | HA'A | 120.5° | 120.1° |
| CA' | C1' | C6' | C2' | 179.3° | 179.8° |
| CA' | C1' | C6' | C5' | 179.5° | 180.0° |
| CA' | C1' | C6' | H6' | 0.6° | 0.0° |
| CA' | C1' | C2' | C3' | 179.6° | 179.7° |
| CA' | C1' | C2' | H2' | 0.3° | 0.1° |
| HA' | CA' | C1' | C6' | 72.6° | 150.3° |
| HA' | CA' | C1' | C2' | 108.1° | 30.0° |
| HA'A | CA' | C1' | C6' | 167.8° | 30.2° |
| HA'A | CA' | C1' | C2' | 11.4° | 150.0° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.2° | 0.0° |
| C1' | C6' | C5' | H5' | 179.8° | 180.0° |
| C6' | C1' | C2' | C3' | 0.4° | 0.5° |
| C6' | C1' | C2' | H2' | 179.6° | 179.7° |
| C2' | C1' | C6' | C5' | 0.2° | 0.3° |
| C2' | C1' | C6' | H6' | 179.8° | 179.7° |
| C1' | C2' | C3' | C4' | 0.2° | 0.5° |
| C1' | C2' | C3' | H2' | 180.0° | 179.8° |
| C1' | C2' | C3' | H3' | 179.8° | 179.7° |
| C6' | C5' | C4' | H5' | 180.0° | 180.0° |
| C6' | C5' | C4' | C3' | 0.3° | 0.0° |
| C6' | C5' | C4' | H4' | 179.7° | 179.9° |
| H6' | C6' | C5' | C4' | 179.8° | 180.0° |
| H6' | C6' | C5' | H5' | 0.2° | 0.0° |
| C5' | C4' | C3' | H4' | 180.0° | 179.9° |
| C5' | C4' | C3' | C2' | 0.1° | 0.3° |
| C5' | C4' | C3' | H3' | 179.9° | 180.0° |
| H5' | C5' | C4' | C3' | 179.7° | 180.0° |
| H5' | C5' | C4' | H4' | 0.3° | 0.1° |
| C4' | C3' | C2' | H3' | 180.0° | 179.8° |
| C4' | C3' | C2' | H2' | 179.8° | 179.7° |
| H4' | C4' | C3' | C2' | 179.9° | 179.8° |
| H4' | C4' | C3' | H3' | 0.1° | 0.1° |
| H3' | C3' | C2' | H2' | 0.2° | 0.1° |
