0N3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C17 | doub | 1.21Å | 1.26Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.53Å | |
| C17 | O18 | sing | 1.35Å | 1.25Å | |
| C16 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | S08 | sing | 1.81Å | 1.71Å | |
| O09 | S08 | doub | 1.42Å | 1.45Å | |
| S08 | O10 | doub | 1.42Å | 1.42Å | |
| S08 | N07 | sing | 1.66Å | 1.61Å | |
| N07 | C06 | sing | 1.47Å | 1.47Å | |
| C06 | B03 | sing | 1.57Å | 1.57Å | |
| B03 | O04 | sing | 1.42Å | 1.46Å | |
| B03 | O05 | sing | 1.42Å | 1.47Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| O18 | H11 | sing | 0.97Å | 0.95Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C17 | C16 | 119.9° | 120.1° |
| O19 | C17 | O18 | 121.1° | 120.0° |
| C14 | C15 | C16 | 117.6° | 119.8° |
| C15 | C14 | C13 | 122.3° | 120.2° |
| C15 | C14 | H9 | 118.8° | 119.9° |
| C14 | C15 | H10 | 121.2° | 120.1° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C15 | C16 | C20 | 121.0° | 119.7° |
| C16 | C15 | H10 | 121.2° | 120.0° |
| C14 | C13 | C12 | 118.2° | 120.3° |
| C14 | C13 | H8 | 120.9° | 119.9° |
| C13 | C14 | H9 | 118.9° | 119.9° |
| C16 | C17 | O18 | 119.0° | 120.0° |
| C17 | C16 | C20 | 119.0° | 120.2° |
| C17 | O18 | H11 | 109.5° | 117.0° |
| C16 | C20 | C12 | 121.0° | 119.9° |
| C16 | C20 | H12 | 119.5° | 120.1° |
| C13 | C12 | C20 | 119.8° | 120.1° |
| C13 | C12 | C11 | 119.7° | 119.9° |
| C12 | C13 | H8 | 120.9° | 119.8° |
| C20 | C12 | C11 | 120.5° | 119.9° |
| C12 | C20 | H12 | 119.5° | 120.1° |
| C12 | C11 | S08 | 116.4° | 109.4° |
| C12 | C11 | H6 | 107.7° | 109.5° |
| C12 | C11 | H7 | 107.7° | 109.5° |
| C11 | S08 | O09 | 109.1° | 110.5° |
| C11 | S08 | O10 | 110.2° | 110.6° |
| C11 | S08 | N07 | 110.3° | 104.5° |
| S08 | C11 | H6 | 107.7° | 109.4° |
| S08 | C11 | H7 | 107.7° | 109.5° |
| O09 | S08 | O10 | 108.8° | 121.0° |
| O09 | S08 | N07 | 109.3° | 104.3° |
| O10 | S08 | N07 | 109.2° | 104.3° |
| S08 | N07 | C06 | 122.1° | 120.0° |
| S08 | N07 | H5 | 106.2° | 120.1° |
| N07 | C06 | B03 | 115.0° | 109.5° |
| N07 | C06 | H3 | 108.1° | 109.5° |
| N07 | C06 | H4 | 108.1° | 109.5° |
| C06 | N07 | H5 | 106.3° | 120.0° |
| C06 | B03 | O04 | 108.3° | 120.0° |
| C06 | B03 | O05 | 112.0° | 120.0° |
| B03 | C06 | H3 | 108.1° | 109.4° |
| B03 | C06 | H4 | 108.1° | 109.5° |
| O04 | B03 | O05 | 106.3° | 120.0° |
| B03 | O04 | H1 | 109.5° | 114.0° |
| B03 | O05 | H2 | 109.5° | 114.0° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C17 | C16 | C15 | 10.3° | 180.0° |
| O19 | C17 | C16 | O18 | 178.3° | 180.0° |
| O19 | C17 | C16 | C20 | 168.3° | 0.3° |
| O19 | C17 | O18 | H11 | 0.0° | 0.1° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.1° | 180.0° |
| C14 | C15 | C16 | C20 | 0.5° | 0.3° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H8 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | C20 | 178.6° | 179.8° |
| C15 | C16 | C17 | O18 | 171.4° | 0.0° |
| C15 | C16 | C20 | C12 | 0.8° | 0.6° |
| C16 | C15 | C14 | H9 | 179.9° | 179.9° |
| C15 | C16 | C20 | H12 | 179.2° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | C20 | 0.4° | 0.3° |
| C14 | C13 | C12 | C11 | 179.5° | 179.9° |
| C13 | C14 | C15 | H10 | 179.9° | 180.0° |
| C17 | C16 | C20 | C12 | 179.5° | 179.7° |
| C17 | C16 | C15 | H10 | 0.9° | 0.0° |
| C16 | C17 | O18 | H11 | 178.3° | 180.0° |
| C17 | C16 | C20 | H12 | 0.5° | 0.3° |
| O18 | C17 | C16 | C20 | 9.9° | 179.7° |
| C16 | C20 | C12 | C13 | 0.7° | 0.6° |
| C16 | C20 | C12 | H12 | 180.0° | 179.4° |
| C16 | C20 | C12 | C11 | 179.8° | 179.8° |
| C20 | C16 | C15 | H10 | 179.5° | 179.8° |
| C13 | C12 | C20 | C11 | 179.1° | 179.6° |
| C13 | C12 | C11 | S08 | 73.9° | 90.0° |
| C13 | C12 | C11 | H6 | 165.1° | 29.9° |
| C13 | C12 | C11 | H7 | 47.1° | 150.0° |
| C12 | C13 | C14 | H9 | 179.9° | 179.9° |
| C13 | C12 | C20 | H12 | 179.2° | 180.0° |
| C20 | C12 | C11 | S08 | 107.0° | 90.4° |
| C20 | C12 | C11 | H6 | 14.0° | 149.7° |
| C20 | C12 | C11 | H7 | 132.0° | 29.6° |
| C20 | C12 | C13 | H8 | 179.6° | 179.7° |
| C12 | C11 | S08 | H6 | 121.0° | 120.0° |
| C12 | C11 | S08 | H7 | 121.0° | 120.0° |
| C12 | C11 | S08 | O09 | 64.9° | 68.4° |
| C12 | C11 | S08 | O10 | 54.5° | 68.3° |
| C12 | C11 | S08 | N07 | 175.1° | 180.0° |
| C12 | C11 | H6 | H7 | 116.9° | 120.1° |
| C11 | C12 | C13 | H8 | 0.5° | 0.1° |
| C11 | C12 | C20 | H12 | 0.2° | 0.4° |
| C11 | S08 | O09 | O10 | 120.2° | 131.5° |
| C11 | S08 | O09 | N07 | 120.6° | 111.8° |
| C11 | S08 | O10 | N07 | 121.3° | 111.8° |
| C11 | S08 | N07 | C06 | 70.9° | 65.0° |
| C11 | S08 | N07 | H5 | 167.3° | 114.9° |
| S08 | C11 | H6 | H7 | 116.9° | 120.0° |
| O09 | S08 | O10 | N07 | 119.2° | 116.7° |
| O09 | S08 | N07 | C06 | 48.9° | 178.9° |
| O09 | S08 | N07 | H5 | 72.8° | 1.1° |
| O09 | S08 | C11 | H6 | 174.1° | 171.7° |
| O09 | S08 | C11 | H7 | 56.2° | 51.6° |
| O10 | S08 | N07 | C06 | 167.9° | 51.1° |
| O10 | S08 | N07 | H5 | 46.1° | 128.9° |
| O10 | S08 | C11 | H6 | 66.5° | 51.6° |
| O10 | S08 | C11 | H7 | 175.6° | 171.7° |
| S08 | N07 | C06 | H5 | 121.7° | 180.0° |
| S08 | N07 | C06 | B03 | 179.3° | 175.1° |
| S08 | N07 | C06 | H3 | 58.5° | 64.9° |
| S08 | N07 | C06 | H4 | 59.9° | 55.1° |
| N07 | S08 | C11 | H6 | 54.1° | 60.0° |
| N07 | S08 | C11 | H7 | 63.9° | 60.0° |
| N07 | C06 | B03 | H3 | 120.8° | 120.0° |
| N07 | C06 | B03 | H4 | 120.8° | 120.0° |
| N07 | C06 | B03 | O04 | 32.1° | 85.1° |
| N07 | C06 | B03 | O05 | 84.8° | 94.7° |
| N07 | C06 | H3 | H4 | 117.5° | 120.1° |
| C06 | B03 | O04 | O05 | 120.5° | 179.7° |
| C06 | B03 | O04 | H1 | 180.0° | 5.3° |
| C06 | B03 | O05 | H2 | 180.0° | 179.7° |
| B03 | C06 | H3 | H4 | 117.5° | 120.0° |
| B03 | C06 | N07 | H5 | 59.0° | 4.8° |
| O04 | B03 | O05 | H2 | 62.0° | 0.0° |
| O04 | B03 | C06 | H3 | 88.7° | 35.0° |
| O04 | B03 | C06 | H4 | 152.9° | 154.9° |
| O05 | B03 | O04 | H1 | 59.5° | 175.0° |
| O05 | B03 | C06 | H3 | 154.4° | 145.3° |
| O05 | B03 | C06 | H4 | 36.0° | 25.4° |
| H3 | C06 | N07 | H5 | 179.8° | 115.1° |
| H4 | C06 | N07 | H5 | 61.8° | 124.8° |
| H8 | C13 | C14 | H9 | 0.1° | 0.1° |
| H9 | C14 | C15 | H10 | 0.1° | 0.1° |
