NP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C5 | sing | 1.46Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.51Å | 1.54Å | |
| C6 | O2 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | O3 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | O5 | sing | 1.43Å | 1.42Å | |
| C9 | O4 | sing | 1.43Å | 1.42Å | |
| O5 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | N2 | doub | 1.29Å | 1.33Å | |
| N2 | O6 | sing | 1.22Å | 1.38Å | |
| O6 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | O7 | doub | 1.21Å | 1.24Å | |
| C11 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C12 | sing | 1.40Å | 1.36Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C2 | H23C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| N3 | HA | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 112.6° | 109.5° |
| C1 | C2 | H21C | 109.5° | 109.5° |
| C1 | C2 | H22C | 109.5° | 109.5° |
| C1 | C2 | H23C | 109.4° | 109.4° |
| C2 | C1 | H11C | 108.5° | 109.5° |
| C2 | C1 | H12C | 107.7° | 109.4° |
| C1 | C3 | C4 | 108.9° | 109.4° |
| C3 | C1 | H11C | 108.4° | 109.5° |
| C3 | C1 | H12C | 107.8° | 109.4° |
| C1 | C3 | H31C | 109.6° | 109.5° |
| C1 | C3 | H32C | 109.8° | 109.4° |
| C3 | C4 | O1 | 120.7° | 120.0° |
| C3 | C4 | N1 | 114.7° | 120.0° |
| C4 | C3 | H31C | 109.7° | 109.5° |
| C4 | C3 | H32C | 109.8° | 109.5° |
| O1 | C4 | N1 | 124.6° | 120.0° |
| C4 | N1 | C5 | 125.9° | 120.0° |
| C4 | N1 | H1 | 117.1° | 120.0° |
| N1 | C5 | C6 | 111.4° | 109.7° |
| N1 | C5 | C10 | 112.8° | 109.7° |
| C5 | N1 | H1 | 117.1° | 120.0° |
| N1 | C5 | H5 | 106.3° | 109.7° |
| C6 | C5 | C10 | 110.9° | 108.3° |
| C5 | C6 | O2 | 109.5° | 109.6° |
| C5 | C6 | C7 | 110.9° | 108.9° |
| C6 | C5 | H5 | 108.3° | 109.7° |
| C5 | C6 | H6 | 108.6° | 109.6° |
| C5 | C10 | O5 | 122.7° | 118.1° |
| C5 | C10 | N2 | 120.5° | 121.0° |
| C10 | C5 | H5 | 106.8° | 109.7° |
| O2 | C6 | C7 | 109.9° | 109.6° |
| O2 | C6 | H6 | 109.8° | 109.6° |
| C6 | O2 | H2 | 109.5° | 114.0° |
| C6 | C7 | O3 | 110.5° | 109.5° |
| C6 | C7 | C8 | 108.0° | 109.4° |
| C7 | C6 | H6 | 108.2° | 109.6° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| O3 | C7 | C8 | 107.8° | 109.5° |
| O3 | C7 | H7 | 109.4° | 109.5° |
| C7 | O3 | H3 | 109.5° | 114.0° |
| C7 | C8 | C9 | 116.5° | 109.6° |
| C7 | C8 | O5 | 110.6° | 109.3° |
| C8 | C7 | H7 | 111.8° | 109.5° |
| C7 | C8 | H8 | 102.7° | 109.5° |
| C9 | C8 | O5 | 106.4° | 109.5° |
| C8 | C9 | O4 | 110.9° | 109.5° |
| C9 | C8 | H8 | 107.2° | 109.4° |
| C8 | C9 | H91C | 109.0° | 109.4° |
| C8 | C9 | H92C | 108.7° | 109.4° |
| C8 | O5 | C10 | 120.1° | 115.6° |
| O5 | C8 | H8 | 113.5° | 109.5° |
| O4 | C9 | H91C | 109.0° | 109.5° |
| O4 | C9 | H92C | 108.7° | 109.5° |
| C9 | O4 | H4 | 109.5° | 113.9° |
| O5 | C10 | N2 | 116.7° | 120.9° |
| C10 | N2 | O6 | 119.1° | 120.0° |
| N2 | O6 | C11 | 114.0° | 117.0° |
| O6 | C11 | O7 | 119.7° | 120.0° |
| O6 | C11 | N3 | 117.2° | 120.0° |
| O7 | C11 | N3 | 123.1° | 120.0° |
| C11 | N3 | C12 | 129.9° | 120.0° |
| C11 | N3 | HA | 115.1° | 120.0° |
| N3 | C12 | C13 | 117.9° | 120.1° |
| N3 | C12 | C17 | 123.9° | 120.1° |
| C12 | N3 | HA | 115.1° | 120.1° |
| C13 | C12 | C17 | 118.1° | 119.8° |
| C12 | C13 | C14 | 121.5° | 120.0° |
| C12 | C13 | H13 | 119.3° | 120.0° |
| C12 | C17 | C16 | 120.8° | 120.0° |
| C12 | C17 | H17 | 119.6° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.1° |
| C14 | C13 | H13 | 119.2° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C14 | C15 | H15 | 120.3° | 119.9° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C16 | C17 | H17 | 119.6° | 120.0° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H21C | C2 | H23C | 109.5° | 109.5° |
| H22C | C2 | H23C | 109.5° | 109.4° |
| H11C | C1 | H12C | 111.9° | 109.5° |
| H31C | C3 | H32C | 109.1° | 109.5° |
| H91C | C9 | H92C | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H11C | 120.0° | 120.1° |
| C2 | C1 | C3 | H12C | 118.6° | 119.9° |
| C2 | C1 | C3 | C4 | 177.2° | 180.0° |
| C1 | C2 | H21C | H22C | 120.0° | 120.0° |
| C1 | C2 | H21C | H23C | 120.0° | 120.0° |
| C1 | C2 | H22C | H23C | 120.0° | 119.9° |
| C2 | C1 | H11C | H12C | 118.7° | 120.0° |
| C2 | C1 | C3 | H31C | 57.2° | 59.9° |
| C2 | C1 | C3 | H32C | 62.6° | 60.1° |
| C1 | C3 | C4 | H31C | 120.0° | 120.0° |
| C1 | C3 | C4 | H32C | 120.2° | 119.9° |
| C1 | C3 | C4 | O1 | 10.5° | 0.1° |
| C1 | C3 | C4 | N1 | 168.7° | 180.0° |
| C3 | C1 | C2 | H21C | 115.9° | 59.9° |
| C3 | C1 | C2 | H22C | 124.1° | 180.0° |
| C3 | C1 | C2 | H23C | 4.1° | 60.1° |
| C3 | C1 | H11C | H12C | 118.7° | 120.0° |
| C1 | C3 | H31C | H32C | 120.2° | 120.0° |
| C3 | C4 | O1 | N1 | 179.2° | 179.9° |
| C3 | C4 | N1 | C5 | 179.2° | 180.0° |
| C4 | C3 | C1 | H11C | 62.8° | 59.9° |
| C4 | C3 | C1 | H12C | 58.6° | 60.1° |
| C4 | C3 | H31C | H32C | 120.2° | 120.0° |
| C3 | C4 | N1 | H1 | 0.8° | 0.1° |
| O1 | C4 | N1 | C5 | 0.0° | 0.1° |
| O1 | C4 | C3 | H31C | 130.5° | 119.9° |
| O1 | C4 | C3 | H32C | 109.7° | 120.0° |
| O1 | C4 | N1 | H1 | 180.0° | 180.0° |
| C4 | N1 | C5 | H1 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 65.3° | 154.9° |
| C4 | N1 | C5 | C10 | 60.2° | 86.2° |
| N1 | C4 | C3 | H31C | 48.7° | 60.0° |
| N1 | C4 | C3 | H32C | 71.1° | 60.1° |
| C4 | N1 | C5 | H5 | 176.9° | 34.4° |
| N1 | C5 | C6 | C10 | 126.5° | 119.7° |
| N1 | C5 | C6 | H5 | 116.6° | 120.6° |
| N1 | C5 | C10 | H5 | 116.4° | 120.6° |
| N1 | C5 | C6 | O2 | 88.2° | 68.4° |
| N1 | C5 | C6 | C7 | 150.4° | 171.8° |
| N1 | C5 | C10 | O5 | 108.0° | 168.5° |
| N1 | C5 | C10 | N2 | 73.4° | 11.6° |
| N1 | C5 | C6 | H6 | 31.6° | 51.9° |
| C6 | C5 | C10 | H5 | 117.8° | 119.7° |
| C5 | C6 | O2 | C7 | 122.1° | 119.4° |
| C5 | C6 | O2 | H6 | 119.1° | 120.2° |
| C5 | C6 | C7 | H6 | 119.0° | 119.9° |
| C5 | C6 | C7 | O3 | 179.7° | 179.7° |
| C5 | C6 | C7 | C8 | 62.6° | 59.7° |
| C6 | C5 | C10 | O5 | 17.7° | 48.8° |
| C6 | C5 | C10 | N2 | 160.9° | 131.3° |
| C6 | C5 | N1 | H1 | 114.7° | 25.0° |
| C5 | C6 | O2 | H2 | 36.4° | 180.0° |
| C5 | C6 | C7 | H7 | 59.2° | 60.2° |
| C10 | C5 | C6 | O2 | 145.3° | 171.9° |
| C10 | C5 | C6 | C7 | 23.9° | 52.1° |
| C5 | C10 | O5 | C8 | 19.7° | 50.9° |
| C5 | C10 | O5 | N2 | 178.6° | 179.9° |
| C5 | C10 | N2 | O6 | 177.6° | 180.0° |
| C10 | C5 | N1 | H1 | 119.8° | 93.8° |
| C10 | C5 | C6 | H6 | 94.9° | 67.8° |
| O2 | C6 | C7 | H6 | 119.8° | 120.3° |
| O2 | C6 | C7 | O3 | 58.5° | 60.4° |
| O2 | C6 | C7 | C8 | 176.2° | 179.6° |
| O2 | C6 | C5 | H5 | 28.4° | 52.2° |
| O2 | C6 | C7 | H7 | 61.9° | 59.6° |
| C6 | C7 | O3 | C8 | 117.8° | 120.0° |
| C6 | C7 | O3 | H7 | 120.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 176.4° | 178.5° |
| C6 | C7 | C8 | O5 | 61.9° | 58.6° |
| C7 | C6 | C5 | H5 | 93.0° | 67.6° |
| C7 | C6 | O2 | H2 | 158.5° | 60.6° |
| C6 | C7 | O3 | H3 | 138.7° | 180.0° |
| C6 | C7 | C8 | H8 | 59.5° | 61.4° |
| O3 | C7 | C8 | H7 | 120.3° | 120.0° |
| O3 | C7 | C8 | C9 | 57.0° | 61.5° |
| O3 | C7 | C8 | O5 | 178.7° | 178.6° |
| O3 | C7 | C6 | H6 | 61.3° | 59.9° |
| O3 | C7 | C8 | H8 | 59.9° | 58.6° |
| C7 | C8 | C9 | O5 | 123.8° | 119.9° |
| C7 | C8 | C9 | H8 | 114.3° | 120.1° |
| C7 | C8 | O5 | H8 | 114.9° | 120.0° |
| C7 | C8 | C9 | O4 | 50.7° | 175.0° |
| C7 | C8 | O5 | C10 | 21.1° | 53.7° |
| C8 | C7 | C6 | H6 | 56.4° | 60.1° |
| C8 | C7 | O3 | H3 | 103.5° | 60.0° |
| C7 | C8 | C9 | H91C | 170.7° | 54.9° |
| C7 | C8 | C9 | H92C | 68.7° | 65.0° |
| C9 | C8 | O5 | H8 | 117.7° | 120.0° |
| C8 | C9 | O4 | H91C | 120.0° | 120.0° |
| C8 | C9 | O4 | H92C | 119.4° | 120.0° |
| C9 | C8 | O5 | C10 | 148.6° | 173.7° |
| C9 | C8 | C7 | H7 | 63.4° | 58.6° |
| C8 | C9 | H91C | H92C | 119.4° | 119.9° |
| C8 | C9 | O4 | H4 | 75.3° | 179.9° |
| O5 | C8 | C9 | O4 | 73.1° | 65.2° |
| C8 | O5 | C10 | N2 | 159.0° | 129.2° |
| O5 | C8 | C7 | H7 | 58.3° | 61.4° |
| O5 | C8 | C9 | H91C | 46.9° | 174.8° |
| O5 | C8 | C9 | H92C | 167.5° | 54.9° |
| O4 | C9 | C8 | H8 | 165.1° | 54.9° |
| O4 | C9 | H91C | H92C | 119.4° | 120.1° |
| O5 | C10 | N2 | O6 | 1.1° | 0.1° |
| O5 | C10 | C5 | H5 | 135.6° | 70.9° |
| C10 | O5 | C8 | H8 | 93.7° | 66.3° |
| C10 | N2 | O6 | C11 | 164.5° | 180.0° |
| N2 | C10 | C5 | H5 | 43.0° | 109.0° |
| N2 | O6 | C11 | O7 | 175.1° | 0.1° |
| N2 | O6 | C11 | N3 | 4.0° | 180.0° |
| O6 | C11 | O7 | N3 | 179.0° | 179.9° |
| O6 | C11 | N3 | C12 | 175.2° | 175.4° |
| O6 | C11 | N3 | HA | 4.8° | 4.6° |
| O7 | C11 | N3 | C12 | 5.7° | 4.7° |
| O7 | C11 | N3 | HA | 174.3° | 175.3° |
| C11 | N3 | C12 | HA | 180.0° | 180.0° |
| C11 | N3 | C12 | C13 | 175.4° | 35.1° |
| C11 | N3 | C12 | C17 | 2.1° | 145.2° |
| N3 | C12 | C13 | C17 | 177.6° | 179.7° |
| N3 | C12 | C13 | C14 | 178.9° | 180.0° |
| N3 | C12 | C17 | C16 | 178.6° | 179.7° |
| N3 | C12 | C13 | H13 | 1.1° | 0.0° |
| N3 | C12 | C17 | H17 | 1.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C17 | C16 | 1.2° | 0.6° |
| C13 | C12 | N3 | HA | 4.7° | 144.9° |
| C13 | C12 | C17 | H17 | 178.8° | 179.8° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C17 | C12 | C13 | C14 | 1.3° | 0.3° |
| C12 | C17 | C16 | C15 | 0.1° | 0.6° |
| C12 | C17 | C16 | H17 | 180.0° | 179.7° |
| C17 | C12 | N3 | HA | 177.9° | 34.8° |
| C17 | C12 | C13 | H13 | 178.7° | 179.7° |
| C12 | C17 | C16 | H16 | 179.9° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.3° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | H17 | 179.9° | 179.7° |
| C16 | C15 | C14 | H14 | 179.3° | 180.0° |
| C17 | C16 | C15 | H15 | 179.2° | 179.7° |
| H21C | C2 | H22C | H23C | 120.0° | 120.0° |
| H21C | C2 | C1 | H11C | 124.1° | 180.0° |
| H21C | C2 | C1 | H12C | 2.7° | 60.0° |
| H22C | C2 | C1 | H11C | 4.1° | 59.9° |
| H22C | C2 | C1 | H12C | 117.3° | 60.1° |
| H23C | C2 | C1 | H11C | 115.9° | 60.0° |
| H23C | C2 | C1 | H12C | 122.7° | 180.0° |
| H11C | C1 | C3 | H31C | 177.2° | 180.0° |
| H11C | C1 | C3 | H32C | 57.5° | 60.0° |
| H12C | C1 | C3 | H31C | 61.4° | 60.0° |
| H12C | C1 | C3 | H32C | 178.8° | 180.0° |
| H1 | N1 | C5 | H5 | 3.1° | 145.6° |
| H5 | C5 | C6 | H6 | 148.2° | 172.5° |
| H6 | C6 | O2 | H2 | 82.7° | 59.7° |
| H6 | C6 | C7 | H7 | 178.3° | 179.9° |
| H7 | C7 | O3 | H3 | 18.4° | 60.0° |
| H7 | C7 | C8 | H8 | 179.8° | 178.6° |
| H8 | C8 | C9 | H91C | 74.9° | 65.2° |
| H8 | C8 | C9 | H92C | 45.6° | 174.9° |
| H91C | C9 | O4 | H4 | 44.7° | 60.1° |
| H92C | C9 | O4 | H4 | 165.2° | 59.9° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.7° | 0.0° |
| H15 | C15 | C16 | H16 | 0.8° | 0.0° |
