0N4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| B03 | O05 | sing | 1.42Å | 1.47Å | |
| B03 | O04 | sing | 1.42Å | 1.46Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| C06 | N07 | sing | 1.46Å | 1.46Å | |
| C06 | B03 | sing | 1.57Å | 1.58Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| S08 | O09 | doub | 1.42Å | 1.42Å | |
| S08 | N07 | sing | 1.66Å | 1.61Å | |
| O10 | S08 | doub | 1.42Å | 1.42Å | |
| C11 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | S08 | sing | 1.76Å | 1.76Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.38Å | |
| N16 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| N16 | H6 | sing | 0.97Å | 1.00Å | |
| N17 | N16 | sing | 1.41Å | 1.34Å | Aromatic |
| N17 | N18 | doub | 1.29Å | 1.41Å | Aromatic |
| N18 | N19 | sing | 1.28Å | 1.35Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | B03 | O04 | 108.7° | 120.0° |
| B03 | O05 | H2 | 109.5° | 114.0° |
| O05 | B03 | C06 | 113.0° | 120.0° |
| B03 | O04 | H1 | 109.5° | 114.0° |
| O04 | B03 | C06 | 109.8° | 120.0° |
| N07 | C06 | B03 | 115.8° | 109.5° |
| N07 | C06 | H3 | 107.9° | 109.5° |
| C06 | N07 | S08 | 122.3° | 120.0° |
| N07 | C06 | H9 | 107.9° | 109.5° |
| C06 | N07 | H10 | 106.2° | 120.0° |
| B03 | C06 | H3 | 107.9° | 109.5° |
| B03 | C06 | H9 | 107.8° | 109.5° |
| H3 | C06 | H9 | 109.5° | 109.5° |
| O09 | S08 | N07 | 107.2° | 106.4° |
| O09 | S08 | O10 | 107.7° | 123.2° |
| O09 | S08 | C11 | 106.9° | 106.4° |
| N07 | S08 | O10 | 113.1° | 106.4° |
| N07 | S08 | C11 | 113.2° | 107.2° |
| S08 | N07 | H10 | 106.2° | 120.0° |
| O10 | S08 | C11 | 108.4° | 106.4° |
| C21 | C11 | S08 | 118.8° | 119.9° |
| C21 | C11 | C12 | 119.5° | 120.3° |
| C11 | C21 | C20 | 120.3° | 120.2° |
| C11 | C21 | H8 | 119.9° | 119.9° |
| S08 | C11 | C12 | 121.7° | 119.8° |
| C11 | C12 | H4 | 119.8° | 119.9° |
| C11 | C12 | C13 | 120.3° | 120.2° |
| H4 | C12 | C13 | 119.8° | 119.9° |
| C14 | C13 | C12 | 119.8° | 119.8° |
| C14 | C13 | H5 | 120.1° | 120.1° |
| C13 | C14 | C20 | 120.2° | 119.7° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C12 | C13 | H5 | 120.1° | 120.1° |
| C20 | C14 | C15 | 119.8° | 120.1° |
| C14 | C20 | C21 | 119.9° | 119.9° |
| C14 | C20 | H7 | 120.1° | 120.1° |
| N19 | C15 | C14 | 124.4° | 126.5° |
| N19 | C15 | N16 | 109.6° | 107.1° |
| C15 | N19 | N18 | 107.9° | 110.5° |
| C14 | C15 | N16 | 126.0° | 126.5° |
| C15 | N16 | H6 | 126.5° | 127.4° |
| C15 | N16 | N17 | 107.1° | 105.2° |
| H6 | N16 | N17 | 126.4° | 127.4° |
| N16 | N17 | N18 | 107.6° | 106.9° |
| N17 | N18 | N19 | 107.8° | 110.4° |
| C21 | C20 | H7 | 120.0° | 120.1° |
| C20 | C21 | H8 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | B03 | O04 | C06 | 124.1° | 179.7° |
| O05 | B03 | O04 | H1 | 180.0° | 0.0° |
| O05 | B03 | C06 | N07 | 66.9° | 94.9° |
| O05 | B03 | C06 | H3 | 54.0° | 145.2° |
| O05 | B03 | C06 | H9 | 172.2° | 25.2° |
| O04 | B03 | O05 | H2 | 180.0° | 174.9° |
| O04 | B03 | C06 | N07 | 54.7° | 84.9° |
| O04 | B03 | C06 | H3 | 175.6° | 35.1° |
| O04 | B03 | C06 | H9 | 66.2° | 155.1° |
| H1 | O04 | B03 | C06 | 55.9° | 179.7° |
| H2 | O05 | B03 | C06 | 57.9° | 4.9° |
| N07 | C06 | B03 | H3 | 120.9° | 120.0° |
| N07 | C06 | B03 | H9 | 120.9° | 120.0° |
| N07 | C06 | H3 | H9 | 117.2° | 120.0° |
| C06 | N07 | S08 | O09 | 165.7° | 178.5° |
| C06 | N07 | S08 | H10 | 121.8° | 180.0° |
| C06 | N07 | S08 | O10 | 47.0° | 48.6° |
| C06 | N07 | S08 | C11 | 76.7° | 65.0° |
| B03 | C06 | H3 | H9 | 117.1° | 120.0° |
| B03 | C06 | N07 | S08 | 169.5° | 175.3° |
| B03 | C06 | N07 | H10 | 47.7° | 4.6° |
| H3 | C06 | N07 | S08 | 48.6° | 64.7° |
| H3 | C06 | N07 | H10 | 73.1° | 115.3° |
| O09 | S08 | N07 | O10 | 118.6° | 132.9° |
| O09 | S08 | N07 | C11 | 117.7° | 113.5° |
| O09 | S08 | O10 | C11 | 115.4° | 123.0° |
| O09 | S08 | C11 | C21 | 38.4° | 23.5° |
| O09 | S08 | C11 | C12 | 138.6° | 156.7° |
| O09 | S08 | N07 | H10 | 72.6° | 1.5° |
| N07 | S08 | O10 | C11 | 126.3° | 114.1° |
| N07 | S08 | C11 | C21 | 79.5° | 90.0° |
| N07 | S08 | C11 | C12 | 103.5° | 89.7° |
| S08 | N07 | C06 | H9 | 69.6° | 55.3° |
| O10 | S08 | C11 | C21 | 154.3° | 156.4° |
| O10 | S08 | C11 | C12 | 22.7° | 23.8° |
| O10 | S08 | N07 | H10 | 168.8° | 131.5° |
| C21 | C11 | S08 | C12 | 177.0° | 179.8° |
| C21 | C11 | C12 | H4 | 178.9° | 180.0° |
| C21 | C11 | C12 | C13 | 1.1° | 0.0° |
| C11 | C21 | C20 | C14 | 0.4° | 0.1° |
| C11 | C21 | C20 | H8 | 180.0° | 179.7° |
| C11 | C21 | C20 | H7 | 179.6° | 180.0° |
| S08 | C11 | C12 | H4 | 2.0° | 0.2° |
| S08 | C11 | C12 | C13 | 178.0° | 179.7° |
| S08 | C11 | C21 | C20 | 178.6° | 179.7° |
| S08 | C11 | C21 | H8 | 1.4° | 0.1° |
| C11 | S08 | N07 | H10 | 45.1° | 115.0° |
| C11 | C12 | H4 | C13 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C11 | C12 | C13 | H5 | 179.4° | 180.0° |
| C12 | C11 | C21 | C20 | 1.6° | 0.0° |
| C12 | C11 | C21 | H8 | 178.4° | 179.7° |
| H4 | C12 | C13 | C14 | 179.4° | 180.0° |
| H4 | C12 | C13 | H5 | 0.6° | 0.1° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C13 | C14 | C20 | C15 | 177.7° | 179.9° |
| C13 | C14 | C15 | N19 | 163.7° | 0.0° |
| C13 | C14 | C15 | N16 | 19.1° | 179.7° |
| C13 | C14 | C20 | C21 | 1.2° | 0.1° |
| C13 | C14 | C20 | H7 | 178.8° | 179.9° |
| C12 | C13 | C14 | C20 | 1.7° | 0.0° |
| C12 | C13 | C14 | C15 | 179.5° | 180.0° |
| H5 | C13 | C14 | C20 | 178.3° | 180.0° |
| H5 | C13 | C14 | C15 | 0.5° | 0.1° |
| C20 | C14 | C15 | N19 | 18.6° | 180.0° |
| C20 | C14 | C15 | N16 | 158.7° | 0.3° |
| C14 | C20 | C21 | H7 | 180.0° | 179.9° |
| C14 | C20 | C21 | H8 | 179.6° | 179.7° |
| N19 | C15 | C14 | N16 | 177.2° | 179.7° |
| N19 | C15 | N16 | H6 | 179.8° | 180.0° |
| N19 | C15 | N16 | N17 | 0.2° | 0.0° |
| C15 | N19 | N18 | N17 | 0.4° | 0.0° |
| C14 | C15 | N16 | H6 | 2.6° | 0.2° |
| C14 | C15 | N16 | N17 | 177.4° | 179.7° |
| C14 | C15 | N19 | N18 | 177.2° | 179.7° |
| C15 | C14 | C20 | C21 | 179.0° | 180.0° |
| C15 | C14 | C20 | H7 | 1.0° | 0.1° |
| C15 | N16 | H6 | N17 | 180.0° | 179.9° |
| C15 | N16 | N17 | N18 | 0.0° | 0.0° |
| N16 | C15 | N19 | N18 | 0.4° | 0.0° |
| H6 | N16 | N17 | N18 | 179.9° | 180.0° |
| N16 | N17 | N18 | N19 | 0.3° | 0.0° |
| H7 | C20 | C21 | H8 | 0.4° | 0.4° |
| H9 | C06 | N07 | H10 | 168.7° | 124.6° |
