OS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | N6 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | N6 | sing | 1.29Å | 1.39Å | Aromatic |
| N7 | N5 | doub | 1.29Å | 1.41Å | Aromatic |
| N6 | C16 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | C | sing | 1.34Å | 1.35Å | Aromatic |
| C16 | C | doub | 1.35Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | S | sing | 1.81Å | 1.77Å | |
| S | C4 | sing | 1.81Å | 1.75Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C5 | C15 | sing | 1.55Å | 1.49Å | |
| C5 | C6 | sing | 1.55Å | 1.47Å | |
| C15 | O | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.54Å | 1.51Å | |
| C6 | N | sing | 1.48Å | 1.45Å | |
| C14 | N | sing | 1.48Å | 1.46Å | |
| N | C7 | sing | 1.47Å | 1.44Å | |
| C12 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N4 | C13 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | C11 | doub | 1.33Å | 1.36Å | Aromatic |
| C13 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C13 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | N2 | sing | 1.39Å | 1.36Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 119.6° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.0° |
| C19 | C20 | H30 | 120.2° | 120.0° |
| C20 | C19 | H31 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C20 | C21 | H29 | 119.7° | 120.0° |
| C21 | C20 | H30 | 120.2° | 120.0° |
| C19 | C18 | C17 | 118.7° | 120.0° |
| C19 | C18 | C23 | 120.8° | 120.0° |
| C18 | C19 | H31 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C21 | C22 | H28 | 120.0° | 120.0° |
| C22 | C21 | H29 | 119.7° | 120.0° |
| C17 | C18 | C23 | 120.4° | 120.0° |
| C18 | C17 | N6 | 111.5° | 109.5° |
| C18 | C17 | H25 | 109.0° | 109.5° |
| C18 | C17 | H26 | 109.0° | 109.5° |
| C18 | C23 | C22 | 119.3° | 120.0° |
| C18 | C23 | H27 | 120.4° | 120.0° |
| C17 | N6 | N7 | 115.4° | 125.9° |
| C17 | N6 | C16 | 133.8° | 125.9° |
| N6 | C17 | H25 | 109.0° | 109.4° |
| N6 | C17 | H26 | 109.0° | 109.5° |
| C22 | C23 | H27 | 120.3° | 120.0° |
| C23 | C22 | H28 | 120.0° | 120.0° |
| N6 | N7 | N5 | 105.2° | 110.2° |
| N7 | N6 | C16 | 110.8° | 108.2° |
| N7 | N5 | C | 107.6° | 109.0° |
| N6 | C16 | C | 106.8° | 106.2° |
| N6 | C16 | H24 | 126.6° | 126.9° |
| N5 | C | C16 | 109.6° | 106.5° |
| N5 | C | C1 | 125.8° | 126.8° |
| C16 | C | C1 | 124.6° | 126.8° |
| C | C16 | H24 | 126.6° | 126.9° |
| C | C1 | C2 | 112.3° | 109.5° |
| C | C1 | H22 | 108.8° | 109.5° |
| C | C1 | H23 | 108.8° | 109.5° |
| C1 | C2 | C3 | 105.6° | 109.5° |
| C1 | C2 | H20 | 110.4° | 109.4° |
| C1 | C2 | H21 | 110.4° | 109.5° |
| C2 | C1 | H22 | 108.7° | 109.4° |
| C2 | C1 | H23 | 108.8° | 109.4° |
| C2 | C3 | S | 114.1° | 109.5° |
| C2 | C3 | H18 | 108.3° | 109.4° |
| C2 | C3 | H19 | 108.3° | 109.5° |
| C3 | C2 | H20 | 110.4° | 109.4° |
| C3 | C2 | H21 | 110.5° | 109.5° |
| C3 | S | C4 | 99.1° | 103.0° |
| S | C3 | H18 | 108.3° | 109.5° |
| S | C3 | H19 | 108.3° | 109.5° |
| S | C4 | C5 | 118.9° | 109.4° |
| S | C4 | H16 | 107.0° | 109.4° |
| S | C4 | H17 | 107.1° | 109.5° |
| C4 | C5 | C15 | 124.0° | 110.7° |
| C4 | C5 | C6 | 119.5° | 110.8° |
| C4 | C5 | H15 | 99.3° | 110.7° |
| C5 | C4 | H16 | 107.1° | 109.5° |
| C5 | C4 | H17 | 107.1° | 109.5° |
| C15 | C5 | C6 | 108.7° | 103.0° |
| C5 | C15 | O | 117.7° | 110.3° |
| C5 | C15 | C14 | 98.2° | 105.1° |
| C5 | C15 | H2 | 111.0° | 110.4° |
| C15 | C5 | H15 | 99.2° | 110.7° |
| C5 | C6 | N | 94.2° | 103.2° |
| C5 | C6 | H13 | 113.1° | 110.6° |
| C5 | C6 | H14 | 113.1° | 110.8° |
| C6 | C5 | H15 | 99.4° | 110.8° |
| O | C15 | C14 | 106.1° | 110.3° |
| C15 | O | H1 | 109.5° | 114.0° |
| O | C15 | H2 | 112.1° | 110.3° |
| C15 | C14 | N | 101.0° | 107.1° |
| C14 | C15 | H2 | 110.6° | 110.3° |
| C15 | C14 | H3 | 111.5° | 109.9° |
| C15 | C14 | H4 | 111.5° | 110.0° |
| C6 | N | C14 | 116.3° | 105.8° |
| C6 | N | C7 | 121.6° | 111.0° |
| N | C6 | H13 | 113.1° | 110.7° |
| N | C6 | H14 | 113.2° | 110.7° |
| C14 | N | C7 | 122.0° | 111.0° |
| N | C14 | H3 | 111.6° | 109.9° |
| N | C14 | H4 | 111.5° | 109.9° |
| N | C7 | C8 | 108.7° | 109.5° |
| N | C7 | H6 | 109.7° | 109.5° |
| N | C7 | H7 | 109.6° | 109.5° |
| N4 | C12 | N3 | 124.5° | 122.4° |
| C12 | N4 | C13 | 116.8° | 120.4° |
| N4 | C12 | H8 | 117.7° | 118.8° |
| C12 | N3 | C11 | 120.2° | 121.3° |
| N3 | C12 | H8 | 117.7° | 118.8° |
| N4 | C13 | C8 | 127.6° | 134.9° |
| N4 | C13 | C10 | 121.6° | 119.2° |
| N3 | C11 | C10 | 117.7° | 118.6° |
| N3 | C11 | N2 | 118.3° | 120.7° |
| C8 | C13 | C10 | 110.8° | 106.0° |
| C13 | C8 | C7 | 133.5° | 126.5° |
| C13 | C8 | C9 | 103.8° | 107.0° |
| C13 | C10 | C11 | 119.2° | 118.1° |
| C13 | C10 | N1 | 105.8° | 107.3° |
| C10 | C11 | N2 | 124.0° | 120.7° |
| C11 | C10 | N1 | 135.0° | 134.6° |
| C11 | N2 | H9 | 109.5° | 120.0° |
| C11 | N2 | H10 | 109.5° | 120.0° |
| C7 | C8 | C9 | 122.6° | 126.5° |
| C8 | C7 | H6 | 109.7° | 109.5° |
| C8 | C7 | H7 | 109.7° | 109.4° |
| C8 | C9 | N1 | 110.5° | 109.9° |
| C8 | C9 | H12 | 124.7° | 125.0° |
| C10 | N1 | C9 | 109.1° | 109.8° |
| C10 | N1 | H11 | 125.4° | 125.1° |
| C9 | N1 | H11 | 125.5° | 125.1° |
| N1 | C9 | H12 | 124.8° | 125.1° |
| H3 | C14 | H4 | 109.5° | 110.1° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H9 | N2 | H10 | 109.5° | 120.0° |
| H13 | C6 | H14 | 109.5° | 110.6° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.4° | 109.5° |
| H22 | C1 | H23 | 109.4° | 109.4° |
| H25 | C17 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H30 | 180.0° | 179.4° |
| C20 | C19 | C18 | H31 | 180.0° | 179.5° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C20 | C19 | C18 | C17 | 179.1° | 179.7° |
| C20 | C19 | C18 | C23 | 0.2° | 0.6° |
| C19 | C20 | C21 | H29 | 179.8° | 179.8° |
| C21 | C20 | C19 | C18 | 0.0° | 0.6° |
| C20 | C21 | C22 | H29 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H28 | 179.7° | 179.9° |
| C21 | C20 | C19 | H31 | 180.0° | 179.9° |
| C19 | C18 | C17 | C23 | 178.9° | 179.7° |
| C19 | C18 | C17 | N6 | 95.3° | 90.3° |
| C19 | C18 | C23 | C22 | 0.1° | 0.3° |
| C19 | C18 | C17 | H25 | 144.3° | 149.7° |
| C19 | C18 | C17 | H26 | 25.0° | 29.7° |
| C19 | C18 | C23 | H27 | 179.9° | 179.7° |
| C18 | C19 | C20 | H30 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.0° |
| C21 | C22 | C23 | H28 | 180.0° | 180.0° |
| C21 | C22 | C23 | H27 | 179.9° | 180.0° |
| C22 | C21 | C20 | H30 | 179.8° | 179.7° |
| C18 | C17 | N6 | H25 | 120.3° | 120.0° |
| C18 | C17 | N6 | H26 | 120.3° | 120.0° |
| C17 | C18 | C23 | C22 | 179.0° | 180.0° |
| C18 | C17 | N6 | N7 | 125.8° | 54.9° |
| C18 | C17 | N6 | C16 | 54.0° | 125.3° |
| C18 | C17 | H25 | H26 | 119.1° | 120.0° |
| C17 | C18 | C23 | H27 | 1.0° | 0.0° |
| C17 | C18 | C19 | H31 | 0.9° | 0.2° |
| C23 | C18 | C17 | N6 | 85.8° | 90.0° |
| C18 | C23 | C22 | H27 | 180.0° | 180.0° |
| C23 | C18 | C17 | H25 | 34.5° | 30.0° |
| C23 | C18 | C17 | H26 | 153.9° | 150.0° |
| C18 | C23 | C22 | H28 | 179.9° | 179.9° |
| C23 | C18 | C19 | H31 | 179.8° | 179.9° |
| C17 | N6 | N7 | C16 | 179.8° | 179.9° |
| C17 | N6 | N7 | N5 | 178.8° | 179.9° |
| C17 | N6 | C16 | C | 178.8° | 179.8° |
| C17 | N6 | C16 | H24 | 1.2° | 0.1° |
| N6 | C17 | H25 | H26 | 119.1° | 120.0° |
| C23 | C22 | C21 | H29 | 179.7° | 180.0° |
| N6 | N7 | N5 | C | 0.8° | 0.0° |
| N7 | N6 | C16 | C | 1.4° | 0.4° |
| N7 | N6 | C16 | H24 | 178.6° | 180.0° |
| N7 | N6 | C17 | H25 | 113.9° | 65.1° |
| N7 | N6 | C17 | H26 | 5.5° | 175.0° |
| N5 | N7 | N6 | C16 | 1.4° | 0.2° |
| N7 | N5 | C | C16 | 0.0° | 0.3° |
| N7 | N5 | C | C1 | 180.0° | 180.0° |
| N6 | C16 | C | N5 | 0.9° | 0.4° |
| N6 | C16 | C | H24 | 180.0° | 179.6° |
| N6 | C16 | C | C1 | 179.2° | 179.9° |
| C16 | N6 | C17 | H25 | 66.4° | 114.8° |
| C16 | N6 | C17 | H26 | 174.3° | 5.2° |
| N5 | C | C16 | C1 | 180.0° | 179.7° |
| N5 | C | C1 | C2 | 46.4° | 55.0° |
| N5 | C | C1 | H22 | 166.9° | 175.0° |
| N5 | C | C1 | H23 | 74.0° | 65.0° |
| N5 | C | C16 | H24 | 179.1° | 180.0° |
| C16 | C | C1 | C2 | 133.5° | 124.7° |
| C16 | C | C1 | H22 | 13.1° | 4.7° |
| C16 | C | C1 | H23 | 106.0° | 115.3° |
| C | C1 | C2 | H22 | 120.5° | 120.1° |
| C | C1 | C2 | H23 | 120.5° | 120.0° |
| C | C1 | C2 | C3 | 175.5° | 180.0° |
| C | C1 | C2 | H20 | 65.1° | 60.0° |
| C | C1 | C2 | H21 | 56.1° | 60.0° |
| C | C1 | H22 | H23 | 118.7° | 120.1° |
| C1 | C | C16 | H24 | 0.8° | 0.2° |
| C1 | C2 | C3 | H20 | 119.4° | 120.0° |
| C1 | C2 | C3 | H21 | 119.4° | 120.0° |
| C1 | C2 | C3 | S | 179.6° | 180.0° |
| C1 | C2 | C3 | H18 | 58.9° | 60.0° |
| C1 | C2 | C3 | H19 | 59.8° | 60.0° |
| C1 | C2 | H20 | H21 | 121.8° | 120.0° |
| C2 | C1 | H22 | H23 | 118.7° | 119.9° |
| C2 | C3 | S | H18 | 120.7° | 120.0° |
| C2 | C3 | S | H19 | 120.7° | 120.0° |
| C2 | C3 | S | C4 | 178.9° | 180.0° |
| C2 | C3 | H18 | H19 | 117.9° | 120.0° |
| C3 | C2 | H20 | H21 | 121.8° | 120.0° |
| C3 | C2 | C1 | H22 | 55.1° | 60.0° |
| C3 | C2 | C1 | H23 | 64.0° | 59.9° |
| C3 | S | C4 | C5 | 90.9° | 180.0° |
| C3 | S | C4 | H16 | 30.4° | 60.0° |
| C3 | S | C4 | H17 | 147.7° | 60.0° |
| S | C3 | H18 | H19 | 117.9° | 120.0° |
| S | C3 | C2 | H20 | 61.0° | 60.0° |
| S | C3 | C2 | H21 | 60.2° | 60.0° |
| S | C4 | C5 | H16 | 121.3° | 119.9° |
| S | C4 | C5 | H17 | 121.4° | 120.0° |
| S | C4 | C5 | C15 | 60.3° | 175.0° |
| S | C4 | C5 | C6 | 154.0° | 71.5° |
| S | C4 | C5 | H15 | 47.6° | 51.8° |
| S | C4 | H16 | H17 | 115.7° | 120.0° |
| C4 | S | C3 | H18 | 60.4° | 60.0° |
| C4 | S | C3 | H19 | 58.2° | 60.0° |
| C4 | C5 | C15 | C6 | 148.9° | 118.4° |
| C4 | C5 | C15 | H15 | 107.9° | 123.2° |
| C4 | C5 | C6 | H15 | 106.3° | 123.3° |
| C4 | C5 | C15 | O | 146.0° | 100.7° |
| C4 | C5 | C15 | C14 | 100.9° | 140.3° |
| C4 | C5 | C6 | N | 108.3° | 155.7° |
| C4 | C5 | C15 | H2 | 15.0° | 21.4° |
| C4 | C5 | C6 | H13 | 134.3° | 37.3° |
| C4 | C5 | C6 | H14 | 9.1° | 85.7° |
| C5 | C4 | H16 | H17 | 115.7° | 120.1° |
| C15 | C5 | C6 | H15 | 103.2° | 118.4° |
| C5 | C15 | O | C14 | 108.6° | 115.7° |
| C5 | C15 | O | H2 | 130.5° | 122.3° |
| C5 | C15 | C14 | H2 | 116.1° | 119.0° |
| C15 | C5 | C6 | N | 42.2° | 37.4° |
| C5 | C15 | C14 | N | 29.8° | 1.2° |
| C5 | C15 | O | H1 | 180.0° | 177.1° |
| C5 | C15 | C14 | H3 | 88.9° | 118.1° |
| C5 | C15 | C14 | H4 | 148.4° | 120.6° |
| C15 | C5 | C6 | H13 | 75.2° | 81.0° |
| C15 | C5 | C6 | H14 | 159.6° | 156.0° |
| C15 | C5 | C4 | H16 | 178.4° | 55.0° |
| C15 | C5 | C4 | H17 | 61.0° | 65.0° |
| C6 | C5 | C15 | O | 65.1° | 140.9° |
| C6 | C5 | C15 | C14 | 48.0° | 22.0° |
| C5 | C6 | N | H13 | 117.4° | 118.4° |
| C5 | C6 | N | H14 | 117.4° | 118.6° |
| C5 | C6 | N | C14 | 21.3° | 39.2° |
| C5 | C6 | N | C7 | 154.8° | 159.7° |
| C6 | C5 | C15 | H2 | 163.8° | 97.0° |
| C5 | C6 | H13 | H14 | 127.2° | 123.2° |
| C6 | C5 | C4 | H16 | 32.6° | 168.6° |
| C6 | C5 | C4 | H17 | 84.7° | 48.5° |
| O | C15 | C14 | H2 | 121.8° | 122.0° |
| O | C15 | C14 | N | 92.3° | 117.7° |
| O | C15 | C14 | H3 | 149.1° | 123.0° |
| O | C15 | C14 | H4 | 26.3° | 1.6° |
| O | C15 | C5 | H15 | 38.1° | 22.4° |
| C15 | C14 | N | C6 | 5.8° | 25.3° |
| C15 | C14 | N | H3 | 118.6° | 119.3° |
| C15 | C14 | N | H4 | 118.6° | 119.4° |
| C15 | C14 | N | C7 | 178.1° | 145.9° |
| C14 | C15 | O | H1 | 71.4° | 61.4° |
| C15 | C14 | H3 | H4 | 123.9° | 121.3° |
| C14 | C15 | C5 | H15 | 151.2° | 96.5° |
| C6 | N | C14 | C7 | 176.1° | 120.6° |
| C6 | N | C7 | C8 | 78.6° | 172.7° |
| C6 | N | C14 | H3 | 112.8° | 94.0° |
| C6 | N | C14 | H4 | 124.4° | 144.7° |
| C6 | N | C7 | H6 | 161.5° | 52.6° |
| C6 | N | C7 | H7 | 41.3° | 67.3° |
| N | C6 | H13 | H14 | 127.2° | 123.1° |
| N | C6 | C5 | H15 | 145.3° | 81.0° |
| C14 | N | C7 | C8 | 97.3° | 69.8° |
| N | C14 | C15 | H2 | 145.9° | 120.3° |
| N | C14 | H3 | H4 | 123.9° | 121.2° |
| C14 | N | C7 | H6 | 22.6° | 170.1° |
| C14 | N | C7 | H7 | 142.9° | 50.2° |
| C14 | N | C6 | H13 | 96.1° | 79.2° |
| C14 | N | C6 | H14 | 138.7° | 157.8° |
| N | C7 | C8 | C13 | 70.3° | 80.3° |
| N | C7 | C8 | H6 | 119.9° | 120.1° |
| N | C7 | C8 | H7 | 119.9° | 120.0° |
| N | C7 | C8 | C9 | 111.9° | 100.0° |
| C7 | N | C14 | H3 | 63.3° | 26.5° |
| C7 | N | C14 | H4 | 59.5° | 94.8° |
| N | C7 | H6 | H7 | 120.3° | 120.0° |
| C7 | N | C6 | H13 | 87.8° | 41.4° |
| C7 | N | C6 | H14 | 37.4° | 81.6° |
| N4 | C12 | N3 | H8 | 180.0° | 179.9° |
| N4 | C12 | N3 | C11 | 0.5° | 0.0° |
| C12 | N4 | C13 | C8 | 180.0° | 180.0° |
| C12 | N4 | C13 | C10 | 0.6° | 0.0° |
| N3 | C12 | N4 | C13 | 0.9° | 0.0° |
| C12 | N3 | C11 | C10 | 0.0° | 0.0° |
| C12 | N3 | C11 | N2 | 179.9° | 180.0° |
| N4 | C13 | C8 | C10 | 179.4° | 180.0° |
| N4 | C13 | C10 | C11 | 0.1° | 0.0° |
| N4 | C13 | C8 | C7 | 3.1° | 0.0° |
| N4 | C13 | C8 | C9 | 178.8° | 179.8° |
| N4 | C13 | C10 | N1 | 178.8° | 180.0° |
| C13 | N4 | C12 | H8 | 179.1° | 180.0° |
| N3 | C11 | C10 | C13 | 0.2° | 0.0° |
| N3 | C11 | C10 | N2 | 179.8° | 179.9° |
| N3 | C11 | C10 | N1 | 178.8° | 180.0° |
| C11 | N3 | C12 | H8 | 179.4° | 180.0° |
| N3 | C11 | N2 | H9 | 0.0° | 0.1° |
| N3 | C11 | N2 | H10 | 120.0° | 180.0° |
| C8 | C13 | C10 | C11 | 179.6° | 180.0° |
| C13 | C8 | C7 | C9 | 177.8° | 179.8° |
| C8 | C13 | C10 | N1 | 0.6° | 0.0° |
| C13 | C8 | C9 | N1 | 0.4° | 0.3° |
| C13 | C8 | C7 | H6 | 49.6° | 39.8° |
| C13 | C8 | C7 | H7 | 169.9° | 159.7° |
| C13 | C8 | C9 | H12 | 179.6° | 179.8° |
| C13 | C10 | C11 | N1 | 178.6° | 179.9° |
| C13 | C10 | C11 | N2 | 180.0° | 180.0° |
| C10 | C13 | C8 | C7 | 177.4° | 180.0° |
| C10 | C13 | C8 | C9 | 0.7° | 0.2° |
| C13 | C10 | N1 | C9 | 0.3° | 0.2° |
| C13 | C10 | N1 | H11 | 179.7° | 179.9° |
| C11 | C10 | N1 | C9 | 179.1° | 179.8° |
| C10 | C11 | N2 | H9 | 179.8° | 180.0° |
| C10 | C11 | N2 | H10 | 59.8° | 0.1° |
| C11 | C10 | N1 | H11 | 0.9° | 0.0° |
| N2 | C11 | C10 | N1 | 1.4° | 0.1° |
| C11 | N2 | H9 | H10 | 120.0° | 179.9° |
| C7 | C8 | C9 | N1 | 177.9° | 179.9° |
| C8 | C7 | H6 | H7 | 120.4° | 119.9° |
| C7 | C8 | C9 | H12 | 2.1° | 0.0° |
| C8 | C9 | N1 | C10 | 0.1° | 0.4° |
| C8 | C9 | N1 | H12 | 180.0° | 179.9° |
| C9 | C8 | C7 | H6 | 128.2° | 140.0° |
| C9 | C8 | C7 | H7 | 7.9° | 20.0° |
| C8 | C9 | N1 | H11 | 179.9° | 179.8° |
| C10 | N1 | C9 | H11 | 180.0° | 179.8° |
| C10 | N1 | C9 | H12 | 180.0° | 179.7° |
| H1 | O | C15 | H2 | 49.5° | 60.7° |
| H2 | C15 | C14 | H3 | 27.3° | 0.9° |
| H2 | C15 | C14 | H4 | 95.5° | 120.4° |
| H2 | C15 | C5 | H15 | 92.9° | 144.6° |
| H11 | N1 | C9 | H12 | 0.1° | 0.1° |
| H13 | C6 | C5 | H15 | 28.0° | 160.6° |
| H14 | C6 | C5 | H15 | 97.3° | 37.6° |
| H15 | C5 | C4 | H16 | 73.8° | 68.1° |
| H15 | C5 | C4 | H17 | 168.9° | 171.8° |
| H18 | C3 | C2 | H20 | 178.3° | 180.0° |
| H18 | C3 | C2 | H21 | 60.5° | 60.0° |
| H19 | C3 | C2 | H20 | 59.7° | 60.0° |
| H19 | C3 | C2 | H21 | 179.1° | 180.0° |
| H20 | C2 | C1 | H22 | 174.5° | 179.9° |
| H20 | C2 | C1 | H23 | 55.4° | 60.0° |
| H21 | C2 | C1 | H22 | 64.4° | 60.0° |
| H21 | C2 | C1 | H23 | 176.6° | 179.9° |
| H27 | C23 | C22 | H28 | 0.1° | 0.0° |
| H28 | C22 | C21 | H29 | 0.3° | 0.0° |
| H29 | C21 | C20 | H30 | 0.2° | 0.4° |
| H30 | C20 | C19 | H31 | 0.0° | 0.5° |
