0WW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.33Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C22 | C23 | doub | 1.33Å | 1.38Å | Aromatic |
| S1 | C23 | sing | 1.76Å | 1.72Å | Aromatic |
| C23 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N6 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| N6 | C12 | sing | 1.38Å | 1.35Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C1 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | N4 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
| N4 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N5 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.36Å | 1.42Å | |
| C8 | C7 | sing | 1.47Å | 1.49Å | |
| N2 | C6 | doub | 1.30Å | 1.30Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| C7 | N3 | sing | 1.35Å | 1.37Å | |
| C6 | N3 | sing | 1.36Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 111.6° | 114.9° |
| C21 | C20 | S1 | 112.3° | 109.6° |
| C21 | C20 | H28 | 123.8° | 125.2° |
| C20 | C21 | H29 | 124.2° | 122.5° |
| C21 | C22 | C23 | 113.1° | 114.9° |
| C22 | C21 | H29 | 124.2° | 122.5° |
| C21 | C22 | H30 | 123.5° | 122.6° |
| C20 | S1 | C23 | 92.3° | 91.0° |
| S1 | C20 | H28 | 123.9° | 125.2° |
| C22 | C23 | S1 | 110.8° | 109.6° |
| C22 | C23 | C13 | 127.6° | 125.2° |
| C23 | C22 | H30 | 123.5° | 122.5° |
| S1 | C23 | C13 | 120.6° | 125.2° |
| C23 | C13 | N6 | 113.6° | 109.5° |
| C23 | C13 | H15 | 108.4° | 109.4° |
| C23 | C13 | H16 | 108.4° | 109.5° |
| C13 | N6 | C12 | 119.4° | 120.0° |
| C13 | N6 | H14 | 107.0° | 120.0° |
| N6 | C13 | H15 | 108.4° | 109.5° |
| N6 | C13 | H16 | 108.4° | 109.5° |
| C19 | C18 | C17 | 112.5° | 109.5° |
| C18 | C19 | C14 | 111.9° | 109.4° |
| C19 | C18 | H24 | 108.7° | 109.5° |
| C19 | C18 | H25 | 108.7° | 109.5° |
| C18 | C19 | H26 | 108.9° | 109.5° |
| C18 | C19 | H27 | 108.9° | 109.4° |
| C18 | C17 | C16 | 111.9° | 109.4° |
| C18 | C17 | H22 | 108.9° | 109.5° |
| C18 | C17 | H23 | 108.8° | 109.4° |
| C17 | C18 | H24 | 108.7° | 109.5° |
| C17 | C18 | H25 | 108.7° | 109.5° |
| C19 | C14 | C15 | 110.2° | 109.5° |
| C19 | C14 | C1 | 107.3° | 109.4° |
| C19 | C14 | H17 | 111.1° | 109.5° |
| C14 | C19 | H26 | 108.8° | 109.5° |
| C14 | C19 | H27 | 108.8° | 109.5° |
| C17 | C16 | C15 | 107.5° | 109.5° |
| C17 | C16 | H20 | 110.0° | 109.5° |
| C17 | C16 | H21 | 109.9° | 109.5° |
| C16 | C17 | H22 | 108.9° | 109.5° |
| C16 | C17 | H23 | 108.9° | 109.5° |
| N6 | C12 | N4 | 121.5° | 125.0° |
| N6 | C12 | N5 | 124.4° | 125.0° |
| C12 | N6 | H14 | 107.0° | 120.0° |
| C15 | C14 | C1 | 106.2° | 109.5° |
| C14 | C15 | C16 | 110.7° | 109.4° |
| C15 | C14 | H17 | 110.9° | 109.5° |
| C14 | C15 | H18 | 109.2° | 109.4° |
| C14 | C15 | H19 | 109.2° | 109.5° |
| C14 | C1 | N1 | 112.5° | 109.5° |
| C14 | C1 | H1 | 108.7° | 109.4° |
| C14 | C1 | H2 | 108.7° | 109.5° |
| C1 | C14 | H17 | 110.9° | 109.5° |
| C16 | C15 | H18 | 109.2° | 109.5° |
| C16 | C15 | H19 | 109.2° | 109.5° |
| C15 | C16 | H20 | 110.0° | 109.5° |
| C15 | C16 | H21 | 110.0° | 109.4° |
| N4 | C12 | N5 | 114.1° | 110.0° |
| C12 | N4 | C11 | 105.9° | 107.4° |
| C12 | N4 | H12 | 127.0° | 126.3° |
| C12 | N5 | C10 | 104.3° | 109.7° |
| N4 | C11 | C10 | 105.3° | 106.0° |
| N4 | C11 | C4 | 130.5° | 133.4° |
| C11 | N4 | H12 | 127.1° | 126.3° |
| C1 | N1 | C2 | 111.7° | 111.0° |
| N1 | C1 | H1 | 108.7° | 109.5° |
| N1 | C1 | H2 | 108.7° | 109.5° |
| C1 | N1 | H3 | 108.9° | 111.0° |
| N1 | C2 | C3 | 113.8° | 109.5° |
| C2 | N1 | H3 | 108.9° | 111.0° |
| N1 | C2 | H5 | 108.4° | 109.5° |
| N1 | C2 | H6 | 108.4° | 109.4° |
| N5 | C10 | C11 | 110.4° | 107.0° |
| N5 | C10 | C9 | 127.6° | 133.0° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C3 | C2 | H5 | 108.4° | 109.5° |
| C3 | C2 | H6 | 108.4° | 109.5° |
| C2 | C3 | H7 | 109.1° | 109.5° |
| C2 | C3 | H8 | 109.0° | 109.5° |
| C10 | C11 | C4 | 124.0° | 120.6° |
| C11 | C10 | C9 | 122.0° | 120.0° |
| C11 | C4 | C3 | 120.7° | 120.1° |
| C11 | C4 | C5 | 115.3° | 119.7° |
| C3 | C4 | C5 | 123.6° | 120.1° |
| C4 | C3 | H7 | 109.1° | 109.5° |
| C4 | C3 | H8 | 109.1° | 109.5° |
| C10 | C9 | C8 | 114.2° | 119.5° |
| C10 | C9 | H11 | 122.9° | 120.3° |
| C4 | C5 | C8 | 120.6° | 119.7° |
| C4 | C5 | N2 | 117.7° | 121.4° |
| C9 | C8 | C5 | 123.8° | 120.4° |
| C9 | C8 | C7 | 117.3° | 121.6° |
| C8 | C9 | H11 | 122.9° | 120.3° |
| C8 | C5 | N2 | 121.7° | 118.9° |
| C5 | C8 | C7 | 118.8° | 118.0° |
| C5 | N2 | C6 | 116.2° | 121.7° |
| C8 | C7 | O1 | 125.2° | 121.3° |
| C8 | C7 | N3 | 114.4° | 117.4° |
| N2 | C6 | N3 | 125.6° | 123.4° |
| N2 | C6 | H9 | 117.2° | 118.4° |
| O1 | C7 | N3 | 120.3° | 121.3° |
| C7 | N3 | C6 | 123.2° | 120.7° |
| C7 | N3 | H10 | 118.4° | 119.7° |
| N3 | C6 | H9 | 117.2° | 118.3° |
| C6 | N3 | H10 | 118.4° | 119.7° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H29 | 180.0° | 179.9° |
| C21 | C20 | S1 | H28 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C21 | C20 | S1 | C23 | 1.3° | 0.0° |
| C20 | C21 | C22 | H30 | 179.5° | 179.9° |
| C22 | C21 | C20 | S1 | 0.7° | 0.0° |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | S1 | 1.5° | 0.0° |
| C21 | C22 | C23 | C13 | 170.2° | 179.9° |
| C22 | C21 | C20 | H28 | 179.3° | 180.0° |
| C20 | S1 | C23 | C22 | 1.6° | 0.0° |
| C20 | S1 | C23 | C13 | 171.2° | 179.9° |
| S1 | C20 | C21 | H29 | 179.3° | 180.0° |
| C22 | C23 | S1 | C13 | 169.6° | 179.9° |
| C22 | C23 | C13 | N6 | 65.2° | 89.9° |
| C22 | C23 | C13 | H15 | 174.2° | 30.1° |
| C22 | C23 | C13 | H16 | 55.4° | 150.0° |
| C23 | C22 | C21 | H29 | 179.5° | 179.9° |
| S1 | C23 | C13 | N6 | 102.5° | 89.9° |
| S1 | C23 | C13 | H15 | 18.1° | 150.0° |
| S1 | C23 | C13 | H16 | 136.9° | 30.1° |
| C23 | S1 | C20 | H28 | 178.7° | 180.0° |
| S1 | C23 | C22 | H30 | 178.5° | 179.9° |
| C23 | C13 | N6 | H15 | 120.6° | 120.0° |
| C23 | C13 | N6 | H16 | 120.6° | 120.0° |
| C23 | C13 | N6 | C12 | 161.6° | 180.0° |
| C23 | C13 | N6 | H14 | 77.0° | 0.0° |
| C23 | C13 | H15 | H16 | 118.1° | 120.0° |
| C13 | C23 | C22 | H30 | 9.8° | 0.1° |
| C13 | N6 | C12 | H14 | 121.4° | 180.0° |
| C13 | N6 | C12 | N4 | 19.6° | 0.0° |
| C13 | N6 | C12 | N5 | 161.9° | 179.7° |
| N6 | C13 | H15 | H16 | 118.1° | 120.0° |
| C19 | C18 | C17 | H24 | 120.5° | 120.0° |
| C19 | C18 | C17 | H25 | 120.4° | 120.0° |
| C18 | C19 | C14 | H26 | 120.4° | 120.0° |
| C18 | C19 | C14 | H27 | 120.4° | 120.0° |
| C19 | C18 | C17 | C16 | 55.8° | 60.0° |
| C18 | C19 | C14 | C15 | 51.4° | 60.0° |
| C18 | C19 | C14 | C1 | 166.6° | 180.0° |
| C18 | C19 | C14 | H17 | 72.0° | 60.0° |
| C19 | C18 | C17 | H22 | 64.5° | 180.0° |
| C19 | C18 | C17 | H23 | 176.2° | 60.0° |
| C19 | C18 | H24 | H25 | 118.6° | 120.0° |
| C18 | C19 | H26 | H27 | 118.9° | 120.0° |
| C17 | C18 | C19 | C14 | 50.5° | 60.0° |
| C18 | C17 | C16 | H22 | 120.4° | 120.0° |
| C18 | C17 | C16 | H23 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 60.5° | 60.0° |
| C18 | C17 | C16 | H20 | 179.8° | 60.0° |
| C18 | C17 | C16 | H21 | 59.2° | 180.0° |
| C18 | C17 | H22 | H23 | 118.9° | 120.0° |
| C17 | C18 | H24 | H25 | 118.6° | 120.0° |
| C17 | C18 | C19 | H26 | 170.8° | 60.0° |
| C17 | C18 | C19 | H27 | 69.9° | 180.0° |
| C19 | C14 | C15 | C1 | 115.9° | 120.0° |
| C19 | C14 | C15 | H17 | 123.4° | 120.0° |
| C19 | C14 | C1 | H17 | 121.5° | 120.0° |
| C19 | C14 | C15 | C16 | 58.2° | 60.0° |
| C19 | C14 | C1 | N1 | 106.8° | 65.0° |
| C19 | C14 | C1 | H1 | 13.6° | 175.0° |
| C19 | C14 | C1 | H2 | 132.7° | 55.0° |
| C19 | C14 | C15 | H18 | 178.4° | 180.0° |
| C19 | C14 | C15 | H19 | 62.0° | 60.0° |
| C14 | C19 | C18 | H24 | 170.9° | 60.0° |
| C14 | C19 | C18 | H25 | 70.0° | 180.0° |
| C14 | C19 | H26 | H27 | 118.9° | 120.0° |
| C17 | C16 | C15 | C14 | 61.9° | 60.0° |
| C17 | C16 | C15 | H20 | 119.7° | 120.1° |
| C17 | C16 | C15 | H21 | 119.7° | 120.0° |
| C17 | C16 | C15 | H18 | 177.9° | 180.0° |
| C17 | C16 | C15 | H19 | 58.3° | 60.0° |
| C17 | C16 | H20 | H21 | 120.9° | 120.0° |
| C16 | C17 | H22 | H23 | 118.9° | 120.1° |
| C16 | C17 | C18 | H24 | 176.3° | 60.0° |
| C16 | C17 | C18 | H25 | 64.6° | 180.0° |
| N6 | C12 | N4 | N5 | 178.7° | 179.7° |
| N6 | C12 | N4 | C11 | 177.9° | 180.0° |
| N6 | C12 | N5 | C10 | 178.9° | 179.9° |
| N6 | C12 | N4 | H12 | 2.1° | 0.1° |
| C12 | N6 | C13 | H15 | 40.9° | 60.0° |
| C12 | N6 | C13 | H16 | 77.8° | 60.0° |
| C15 | C14 | C1 | H17 | 120.7° | 120.0° |
| C14 | C15 | C16 | H18 | 120.2° | 120.0° |
| C14 | C15 | C16 | H19 | 120.2° | 120.0° |
| C15 | C14 | C1 | N1 | 135.3° | 175.0° |
| C15 | C14 | C1 | H1 | 104.2° | 55.0° |
| C15 | C14 | C1 | H2 | 14.9° | 65.0° |
| C14 | C15 | H18 | H19 | 119.5° | 120.0° |
| C14 | C15 | C16 | H20 | 178.4° | 60.1° |
| C14 | C15 | C16 | H21 | 57.7° | 180.0° |
| C15 | C14 | C19 | H26 | 171.7° | 60.0° |
| C15 | C14 | C19 | H27 | 69.0° | 180.0° |
| C1 | C14 | C15 | C16 | 174.1° | 180.0° |
| C14 | C1 | N1 | H1 | 120.4° | 120.0° |
| C14 | C1 | N1 | H2 | 120.5° | 120.1° |
| C14 | C1 | N1 | C2 | 179.2° | 180.0° |
| C14 | C1 | H1 | H2 | 118.6° | 120.0° |
| C14 | C1 | N1 | H3 | 58.9° | 56.0° |
| C1 | C14 | C15 | H18 | 65.7° | 60.0° |
| C1 | C14 | C15 | H19 | 53.9° | 60.0° |
| C1 | C14 | C19 | H26 | 73.0° | 60.0° |
| C1 | C14 | C19 | H27 | 46.2° | 60.0° |
| C16 | C15 | C14 | H17 | 65.2° | 60.0° |
| C16 | C15 | H18 | H19 | 119.4° | 120.1° |
| C15 | C16 | H20 | H21 | 120.9° | 119.9° |
| C15 | C16 | C17 | H22 | 59.9° | 180.0° |
| C15 | C16 | C17 | H23 | 179.2° | 59.9° |
| C12 | N4 | C11 | H12 | 180.0° | 179.9° |
| N4 | C12 | N5 | C10 | 0.2° | 0.4° |
| C12 | N4 | C11 | C10 | 1.4° | 0.1° |
| C12 | N4 | C11 | C4 | 177.5° | 179.3° |
| N4 | C12 | N6 | H14 | 101.8° | 179.9° |
| N5 | C12 | N4 | C11 | 0.8° | 0.3° |
| C12 | N5 | C10 | C11 | 1.2° | 0.3° |
| C12 | N5 | C10 | C9 | 180.0° | 179.9° |
| N5 | C12 | N4 | H12 | 179.3° | 179.8° |
| N5 | C12 | N6 | H14 | 76.7° | 0.3° |
| N4 | C11 | C10 | N5 | 1.6° | 0.2° |
| N4 | C11 | C10 | C4 | 176.4° | 179.4° |
| N4 | C11 | C4 | C3 | 10.1° | 0.4° |
| N4 | C11 | C10 | C9 | 179.4° | 180.0° |
| N4 | C11 | C4 | C5 | 177.1° | 179.8° |
| C1 | N1 | C2 | H3 | 120.3° | 124.0° |
| C1 | N1 | C2 | C3 | 16.6° | 180.0° |
| N1 | C1 | H1 | H2 | 118.6° | 120.0° |
| C1 | N1 | C2 | H5 | 104.1° | 60.0° |
| C1 | N1 | C2 | H6 | 137.3° | 60.0° |
| N1 | C1 | C14 | H17 | 14.7° | 55.0° |
| N1 | C2 | C3 | H5 | 120.6° | 120.1° |
| N1 | C2 | C3 | H6 | 120.7° | 119.9° |
| N1 | C2 | C3 | C4 | 162.0° | 180.0° |
| C2 | N1 | C1 | H1 | 60.4° | 60.0° |
| C2 | N1 | C1 | H2 | 58.8° | 59.9° |
| N1 | C2 | H5 | H6 | 118.0° | 120.0° |
| N1 | C2 | C3 | H7 | 41.7° | 60.0° |
| N1 | C2 | C3 | H8 | 77.8° | 60.0° |
| N5 | C10 | C11 | C9 | 178.9° | 179.8° |
| N5 | C10 | C11 | C4 | 178.0° | 179.6° |
| N5 | C10 | C9 | C8 | 179.1° | 179.9° |
| N5 | C10 | C9 | H11 | 0.9° | 0.0° |
| C2 | C3 | C4 | C11 | 67.2° | 90.2° |
| C2 | C3 | C4 | H7 | 120.3° | 120.0° |
| C2 | C3 | C4 | H8 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 105.1° | 90.0° |
| C3 | C2 | N1 | H3 | 136.9° | 56.0° |
| C3 | C2 | H5 | H6 | 118.0° | 120.0° |
| C2 | C3 | H7 | H8 | 119.3° | 120.0° |
| C10 | C11 | C4 | C3 | 174.5° | 179.7° |
| C10 | C11 | C4 | C5 | 1.7° | 0.5° |
| C11 | C10 | C9 | C8 | 2.2° | 0.3° |
| C11 | C10 | C9 | H11 | 177.8° | 179.8° |
| C10 | C11 | N4 | H12 | 178.6° | 180.0° |
| C11 | C4 | C3 | C5 | 172.2° | 179.8° |
| C4 | C11 | C10 | C9 | 3.0° | 0.6° |
| C11 | C4 | C5 | C8 | 0.2° | 0.2° |
| C11 | C4 | C5 | N2 | 179.6° | 179.8° |
| C11 | C4 | C3 | H7 | 53.1° | 149.8° |
| C11 | C4 | C3 | H8 | 172.6° | 29.8° |
| C4 | C11 | N4 | H12 | 2.5° | 0.7° |
| C3 | C4 | C5 | C8 | 172.4° | 180.0° |
| C3 | C4 | C5 | N2 | 6.9° | 0.0° |
| C4 | C3 | C2 | H5 | 77.4° | 60.0° |
| C4 | C3 | C2 | H6 | 41.3° | 60.0° |
| C4 | C3 | H7 | H8 | 119.3° | 120.0° |
| C10 | C9 | C8 | H11 | 180.0° | 179.9° |
| C10 | C9 | C8 | C5 | 0.3° | 0.0° |
| C10 | C9 | C8 | C7 | 177.6° | 179.9° |
| C4 | C5 | C8 | C9 | 0.9° | 0.0° |
| C4 | C5 | C8 | N2 | 179.3° | 180.0° |
| C4 | C5 | C8 | C7 | 178.8° | 180.0° |
| C4 | C5 | N2 | C6 | 179.3° | 180.0° |
| C5 | C4 | C3 | H7 | 134.7° | 30.0° |
| C5 | C4 | C3 | H8 | 15.1° | 150.0° |
| C9 | C8 | C5 | C7 | 177.9° | 179.9° |
| C9 | C8 | C5 | N2 | 179.8° | 180.0° |
| C9 | C8 | C7 | O1 | 0.2° | 0.0° |
| C9 | C8 | C7 | N3 | 178.7° | 180.0° |
| C8 | C5 | N2 | C6 | 0.0° | 0.0° |
| C5 | C8 | C7 | O1 | 177.8° | 180.0° |
| C5 | C8 | C7 | N3 | 0.7° | 0.1° |
| C5 | C8 | C9 | H11 | 179.7° | 179.9° |
| N2 | C5 | C8 | C7 | 1.9° | 0.0° |
| C5 | N2 | C6 | N3 | 3.4° | 0.0° |
| C5 | N2 | C6 | H9 | 176.6° | 180.0° |
| C8 | C7 | O1 | N3 | 178.4° | 180.0° |
| C8 | C7 | N3 | C6 | 2.4° | 0.1° |
| C8 | C7 | N3 | H10 | 177.6° | 180.0° |
| C7 | C8 | C9 | H11 | 2.4° | 0.0° |
| N2 | C6 | N3 | C7 | 4.8° | 0.1° |
| N2 | C6 | N3 | H9 | 180.0° | 180.0° |
| N2 | C6 | N3 | H10 | 175.1° | 180.0° |
| O1 | C7 | N3 | C6 | 179.0° | 179.9° |
| O1 | C7 | N3 | H10 | 1.0° | 0.0° |
| C7 | N3 | C6 | H10 | 180.0° | 180.0° |
| C7 | N3 | C6 | H9 | 175.1° | 180.0° |
| H1 | C1 | N1 | H3 | 179.3° | 63.9° |
| H1 | C1 | C14 | H17 | 135.1° | 65.0° |
| H2 | C1 | N1 | H3 | 61.6° | 176.1° |
| H2 | C1 | C14 | H17 | 105.8° | 175.0° |
| H3 | N1 | C2 | H5 | 16.3° | 176.0° |
| H3 | N1 | C2 | H6 | 102.4° | 64.0° |
| H5 | C2 | C3 | H7 | 162.3° | 180.0° |
| H5 | C2 | C3 | H8 | 42.8° | 60.0° |
| H6 | C2 | C3 | H7 | 79.0° | 60.0° |
| H6 | C2 | C3 | H8 | 161.5° | 180.0° |
| H9 | C6 | N3 | H10 | 4.9° | 0.0° |
| H14 | N6 | C13 | H15 | 162.4° | 119.9° |
| H14 | N6 | C13 | H16 | 43.6° | 120.0° |
| H17 | C14 | C15 | H18 | 55.0° | 60.0° |
| H17 | C14 | C15 | H19 | 174.6° | 180.0° |
| H17 | C14 | C19 | H26 | 48.4° | 180.0° |
| H17 | C14 | C19 | H27 | 167.7° | 59.9° |
| H18 | C15 | C16 | H20 | 58.2° | 59.9° |
| H18 | C15 | C16 | H21 | 62.5° | 60.0° |
| H19 | C15 | C16 | H20 | 61.4° | 179.9° |
| H19 | C15 | C16 | H21 | 177.9° | 60.0° |
| H20 | C16 | C17 | H22 | 59.8° | 59.9° |
| H20 | C16 | C17 | H23 | 59.5° | 180.0° |
| H21 | C16 | C17 | H22 | 179.6° | 60.0° |
| H21 | C16 | C17 | H23 | 61.1° | 60.0° |
| H22 | C17 | C18 | H24 | 56.0° | 60.0° |
| H22 | C17 | C18 | H25 | 175.0° | 60.0° |
| H23 | C17 | C18 | H24 | 63.3° | 180.0° |
| H23 | C17 | C18 | H25 | 55.7° | 60.0° |
| H24 | C18 | C19 | H26 | 68.7° | 180.0° |
| H24 | C18 | C19 | H27 | 50.6° | 60.0° |
| H25 | C18 | C19 | H26 | 50.4° | 60.0° |
| H25 | C18 | C19 | H27 | 169.7° | 60.0° |
| H28 | C20 | C21 | H29 | 0.7° | 0.0° |
| H29 | C21 | C22 | H30 | 0.5° | 0.0° |
