NP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.50Å | |
| C1 | O10 | sing | 1.35Å | 1.45Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| O10 | C16 | sing | 1.45Å | 1.43Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | O4 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.60Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O5 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.30Å | 1.33Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.50Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.08Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | HA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O10 | 119.4° | 120.7° |
| C2 | C1 | O1 | 121.4° | 120.5° |
| C1 | C2 | C3 | 120.1° | 120.8° |
| C1 | C2 | C7 | 119.9° | 119.7° |
| O10 | C1 | O1 | 119.2° | 118.8° |
| C1 | O10 | C16 | 109.3° | 119.7° |
| C3 | C2 | C7 | 120.0° | 119.5° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C2 | C3 | O3 | 120.5° | 120.2° |
| C2 | C7 | C6 | 119.8° | 119.8° |
| C2 | C7 | C8 | 119.1° | 120.3° |
| O10 | C16 | C15 | 109.2° | 110.0° |
| O10 | C16 | H161 | 109.6° | 109.5° |
| O10 | C16 | H162 | 109.5° | 109.5° |
| C4 | C3 | O3 | 119.4° | 119.7° |
| C3 | C4 | C5 | 119.1° | 119.9° |
| C3 | C4 | H4 | 120.4° | 120.0° |
| C3 | O3 | H3 | 109.5° | 106.8° |
| C5 | C4 | H4 | 120.4° | 120.1° |
| C4 | C5 | C6 | 120.8° | 120.2° |
| C4 | C5 | O4 | 119.2° | 119.9° |
| C6 | C5 | O4 | 120.0° | 119.9° |
| C5 | C6 | C7 | 120.1° | 120.3° |
| C5 | C6 | CL1 | 118.7° | 119.7° |
| C5 | O4 | HA | 109.5° | 106.8° |
| C7 | C6 | CL1 | 121.2° | 120.0° |
| C6 | C7 | C8 | 121.1° | 119.8° |
| C7 | C8 | C9 | 113.4° | 110.5° |
| C7 | C8 | H8C1 | 107.3° | 109.6° |
| C7 | C8 | H8C2 | 108.2° | 109.4° |
| C9 | C8 | H8C1 | 107.3° | 109.3° |
| C9 | C8 | H8C2 | 108.2° | 109.4° |
| C8 | C9 | C10 | 121.2° | 119.6° |
| C8 | C9 | O5 | 119.6° | 120.3° |
| H8C1 | C8 | H8C2 | 112.6° | 108.6° |
| C10 | C9 | O5 | 119.1° | 120.1° |
| C9 | C10 | C11 | 109.6° | 109.8° |
| C9 | C10 | H101 | 109.4° | 109.4° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C11 | C10 | H101 | 109.4° | 109.5° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.8° |
| C10 | C11 | H111 | 108.3° | 109.7° |
| C10 | C11 | H112 | 108.7° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.3° |
| C12 | C11 | H111 | 108.3° | 109.5° |
| C12 | C11 | H112 | 108.8° | 109.2° |
| C11 | C12 | C13 | 108.8° | 109.3° |
| C11 | C12 | H121 | 109.9° | 108.8° |
| C11 | C12 | H122 | 109.7° | 109.5° |
| H111 | C11 | H112 | 111.2° | 109.3° |
| C13 | C12 | H121 | 109.9° | 109.2° |
| C13 | C12 | H122 | 109.7° | 111.1° |
| C12 | C13 | C14 | 121.0° | 123.6° |
| C12 | C13 | H13 | 119.5° | 118.4° |
| H121 | C12 | H122 | 108.9° | 108.9° |
| C14 | C13 | H13 | 119.5° | 118.1° |
| C13 | C14 | C15 | 120.9° | 123.5° |
| C13 | C14 | H14 | 119.5° | 118.1° |
| C15 | C14 | H14 | 119.5° | 118.4° |
| C14 | C15 | C16 | 109.2° | 109.4° |
| C14 | C15 | H151 | 109.6° | 108.9° |
| C14 | C15 | H152 | 109.6° | 111.2° |
| C16 | C15 | H151 | 109.6° | 108.7° |
| C16 | C15 | H152 | 109.5° | 109.9° |
| C15 | C16 | H161 | 109.6° | 109.3° |
| C15 | C16 | H162 | 109.6° | 109.3° |
| H151 | C15 | H152 | 109.3° | 108.7° |
| H161 | C16 | H162 | 109.3° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O10 | O1 | 179.8° | 178.4° |
| C1 | C2 | C3 | C7 | 178.9° | 179.7° |
| C2 | C1 | O10 | C16 | 150.7° | 178.8° |
| C1 | C2 | C3 | C4 | 179.7° | 177.3° |
| C1 | C2 | C3 | O3 | 0.7° | 2.4° |
| C1 | C2 | C7 | C6 | 179.8° | 177.0° |
| C1 | C2 | C7 | C8 | 1.1° | 3.0° |
| O10 | C1 | C2 | C3 | 131.4° | 36.5° |
| O10 | C1 | C2 | C7 | 47.5° | 143.2° |
| C1 | O10 | C16 | C15 | 130.5° | 53.8° |
| C1 | O10 | C16 | H161 | 10.4° | 66.3° |
| C1 | O10 | C16 | H162 | 109.5° | 173.9° |
| O1 | C1 | C2 | C3 | 48.8° | 145.2° |
| O1 | C1 | C2 | C7 | 132.3° | 35.1° |
| O1 | C1 | O10 | C16 | 29.5° | 2.8° |
| C2 | C3 | C4 | O3 | 179.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.4° | 0.7° |
| C2 | C3 | C4 | H4 | 179.6° | 179.3° |
| C3 | C2 | C7 | C6 | 0.9° | 3.4° |
| C3 | C2 | C7 | C8 | 180.0° | 176.6° |
| C2 | C3 | O3 | H3 | 127.3° | 90.3° |
| C7 | C2 | C3 | C4 | 0.8° | 3.0° |
| C7 | C2 | C3 | O3 | 179.6° | 177.3° |
| C2 | C7 | C6 | C5 | 0.6° | 1.5° |
| C2 | C7 | C6 | C8 | 179.1° | 180.0° |
| C2 | C7 | C6 | CL1 | 179.5° | 178.5° |
| C2 | C7 | C8 | C9 | 93.1° | 79.4° |
| C2 | C7 | C8 | H8C1 | 25.2° | 160.1° |
| C2 | C7 | C8 | H8C2 | 146.9° | 41.1° |
| O10 | C16 | C15 | C14 | 74.0° | 126.2° |
| O10 | C16 | C15 | H161 | 120.1° | 120.2° |
| O10 | C16 | C15 | H162 | 120.0° | 120.2° |
| O10 | C16 | C15 | H151 | 165.9° | 115.1° |
| O10 | C16 | C15 | H152 | 46.0° | 3.8° |
| O10 | C16 | H161 | H162 | 120.1° | 119.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 1.3° |
| C3 | C4 | C5 | O4 | 180.0° | 179.3° |
| C4 | C3 | O3 | H3 | 52.3° | 90.0° |
| O3 | C3 | C4 | C5 | 180.0° | 179.6° |
| O3 | C3 | C4 | H4 | 0.0° | 0.4° |
| C4 | C5 | C6 | O4 | 179.9° | 179.5° |
| C4 | C5 | C6 | C7 | 0.2° | 0.9° |
| C4 | C5 | C6 | CL1 | 180.0° | 179.2° |
| C4 | C5 | O4 | HA | 127.7° | 90.0° |
| H4 | C4 | C5 | C6 | 180.0° | 178.7° |
| H4 | C4 | C5 | O4 | 0.0° | 0.8° |
| C5 | C6 | C7 | CL1 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 179.7° | 178.6° |
| C6 | C5 | O4 | HA | 52.3° | 90.6° |
| O4 | C5 | C6 | C7 | 179.9° | 179.7° |
| O4 | C5 | C6 | CL1 | 0.0° | 0.3° |
| C6 | C7 | C8 | C9 | 87.8° | 100.6° |
| C6 | C7 | C8 | H8C1 | 153.9° | 20.0° |
| C6 | C7 | C8 | H8C2 | 32.2° | 138.9° |
| CL1 | C6 | C7 | C8 | 0.4° | 1.5° |
| C7 | C8 | C9 | H8C1 | 118.3° | 120.7° |
| C7 | C8 | C9 | H8C2 | 120.0° | 120.5° |
| C7 | C8 | H8C1 | H8C2 | 118.9° | 119.4° |
| C7 | C8 | C9 | C10 | 3.0° | 165.2° |
| C7 | C8 | C9 | O5 | 176.6° | 14.9° |
| C9 | C8 | H8C1 | H8C2 | 119.0° | 119.3° |
| C8 | C9 | C10 | O5 | 179.6° | 179.9° |
| C8 | C9 | C10 | C11 | 158.5° | 106.4° |
| C8 | C9 | C10 | H101 | 81.5° | 133.5° |
| C8 | C9 | C10 | H102 | 38.5° | 13.8° |
| H8C1 | C8 | C9 | C10 | 121.3° | 74.1° |
| H8C1 | C8 | C9 | O5 | 58.3° | 105.8° |
| H8C2 | C8 | C9 | C10 | 117.0° | 44.7° |
| H8C2 | C8 | C9 | O5 | 63.4° | 135.4° |
| C9 | C10 | C11 | H101 | 120.0° | 120.1° |
| C9 | C10 | C11 | H102 | 120.0° | 120.1° |
| C9 | C10 | H101 | H102 | 120.0° | 119.7° |
| C9 | C10 | C11 | C12 | 98.9° | 91.4° |
| C9 | C10 | C11 | H111 | 20.2° | 28.9° |
| C9 | C10 | C11 | H112 | 141.1° | 148.8° |
| O5 | C9 | C10 | C11 | 21.1° | 73.7° |
| O5 | C9 | C10 | H101 | 98.9° | 46.5° |
| O5 | C9 | C10 | H102 | 141.1° | 166.1° |
| C11 | C10 | H101 | H102 | 120.0° | 119.9° |
| C10 | C11 | C12 | H111 | 119.1° | 120.4° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 119.4° | 120.0° |
| C10 | C11 | C12 | C13 | 111.9° | 165.3° |
| C10 | C11 | C12 | H121 | 127.8° | 75.6° |
| C10 | C11 | C12 | H122 | 8.1° | 43.4° |
| H101 | C10 | C11 | C12 | 141.2° | 148.5° |
| H101 | C10 | C11 | H111 | 99.8° | 91.2° |
| H101 | C10 | C11 | H112 | 21.1° | 28.7° |
| H102 | C10 | C11 | C12 | 21.1° | 28.7° |
| H102 | C10 | C11 | H111 | 140.2° | 149.0° |
| H102 | C10 | C11 | H112 | 98.9° | 91.1° |
| C12 | C11 | H111 | H112 | 119.4° | 119.5° |
| C11 | C12 | C13 | H121 | 120.3° | 118.9° |
| C11 | C12 | C13 | H122 | 120.0° | 121.0° |
| C11 | C12 | H121 | H122 | 120.2° | 119.4° |
| C11 | C12 | C13 | C14 | 132.9° | 125.7° |
| C11 | C12 | C13 | H13 | 47.1° | 54.3° |
| H111 | C11 | C12 | C13 | 7.1° | 44.8° |
| H111 | C11 | C12 | H121 | 113.2° | 163.9° |
| H111 | C11 | C12 | H122 | 127.1° | 77.1° |
| H112 | C11 | C12 | C13 | 128.1° | 74.8° |
| H112 | C11 | C12 | H121 | 7.8° | 44.3° |
| H112 | C11 | C12 | H122 | 111.9° | 163.3° |
| C13 | C12 | H121 | H122 | 120.2° | 121.5° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H121 | C12 | C13 | C14 | 106.8° | 115.4° |
| H121 | C12 | C13 | H13 | 73.2° | 64.6° |
| H122 | C12 | C13 | C14 | 12.9° | 4.7° |
| H122 | C12 | C13 | H13 | 167.1° | 175.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 106.8° | 123.1° |
| C13 | C14 | C15 | H151 | 133.1° | 118.3° |
| C13 | C14 | C15 | H152 | 13.1° | 1.4° |
| H13 | C13 | C14 | C15 | 179.8° | 179.9° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| C14 | C15 | C16 | H151 | 120.1° | 118.8° |
| C14 | C15 | C16 | H152 | 120.0° | 122.4° |
| C14 | C15 | H151 | H152 | 120.1° | 121.2° |
| C14 | C15 | C16 | H161 | 165.8° | 6.0° |
| C14 | C15 | C16 | H162 | 46.0° | 113.6° |
| H14 | C14 | C15 | C16 | 73.2° | 56.9° |
| H14 | C14 | C15 | H151 | 46.9° | 61.8° |
| H14 | C14 | C15 | H152 | 166.8° | 178.5° |
| C16 | C15 | H151 | H152 | 120.0° | 119.6° |
| C15 | C16 | H161 | H162 | 120.1° | 119.6° |
| H151 | C15 | C16 | H161 | 45.7° | 124.7° |
| H151 | C15 | C16 | H162 | 74.1° | 5.2° |
| H152 | C15 | C16 | H161 | 74.1° | 116.4° |
| H152 | C15 | C16 | H162 | 166.0° | 124.0° |
