38H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C34 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C33 | sing | 1.32Å | 1.34Å | Aromatic |
| O2 | C20 | doub | 1.22Å | 1.26Å | |
| C34 | N8 | sing | 1.31Å | 1.33Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| N8 | C35 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | O3 | sing | 1.35Å | 1.25Å | |
| C20 | C19 | sing | 1.47Å | 1.50Å | |
| C32 | C35 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.46Å | 1.43Å | Aromatic |
| C35 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C31 | N6 | doub | 1.30Å | 1.35Å | Aromatic |
| C19 | N4 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C21 | doub | 1.35Å | 1.40Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C28 | sing | 1.40Å | 1.34Å | |
| N4 | C18 | doub | 1.29Å | 1.35Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C13 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N3 | sing | 1.39Å | 1.35Å | |
| C18 | S2 | sing | 1.76Å | 1.74Å | Aromatic |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C25 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O4 | sing | 1.36Å | 1.37Å | |
| N3 | C15 | sing | 1.47Å | 1.44Å | |
| O4 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C8 | doub | 1.22Å | 1.22Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | N2 | sing | 1.35Å | 1.33Å | |
| S1 | C7 | sing | 1.76Å | 1.74Å | Aromatic |
| S1 | C1 | sing | 1.76Å | 1.69Å | Aromatic |
| N2 | C7 | sing | 1.38Å | 1.36Å | |
| C7 | N1 | doub | 1.29Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N7 | C33 | 117.8° | 121.3° |
| N7 | C34 | N8 | 126.6° | 122.6° |
| N7 | C34 | H28 | 116.7° | 118.6° |
| N7 | C33 | C32 | 119.6° | 118.5° |
| N7 | C33 | H27 | 120.2° | 120.8° |
| O2 | C20 | O3 | 122.3° | 120.0° |
| O2 | C20 | C19 | 117.7° | 120.0° |
| C34 | N8 | C35 | 117.0° | 120.5° |
| N8 | C34 | H28 | 116.7° | 118.7° |
| C33 | C32 | C35 | 119.9° | 118.5° |
| C33 | C32 | C31 | 130.3° | 135.1° |
| C32 | C33 | H27 | 120.2° | 120.7° |
| N8 | C35 | C32 | 119.0° | 118.6° |
| N8 | C35 | N5 | 136.1° | 134.8° |
| O3 | C20 | C19 | 120.0° | 120.0° |
| C20 | O3 | H4 | 109.5° | 117.0° |
| C20 | C19 | N4 | 119.9° | 122.5° |
| C20 | C19 | C21 | 127.1° | 122.5° |
| C35 | C32 | C31 | 109.8° | 106.3° |
| C32 | C35 | N5 | 104.8° | 106.6° |
| C32 | C31 | N6 | 105.3° | 107.6° |
| C32 | C31 | H26 | 127.3° | 126.2° |
| C35 | N5 | N6 | 111.1° | 109.3° |
| C35 | N5 | C28 | 124.2° | 125.4° |
| C31 | N6 | N5 | 108.9° | 110.2° |
| N6 | C31 | H26 | 127.3° | 126.2° |
| N4 | C19 | C21 | 112.9° | 115.0° |
| C19 | N4 | C18 | 112.6° | 116.9° |
| C19 | C21 | C22 | 128.0° | 125.9° |
| C19 | C21 | S2 | 112.0° | 108.3° |
| N6 | N5 | C28 | 124.5° | 125.3° |
| N5 | C28 | C27 | 116.7° | 120.0° |
| N5 | C28 | C29 | 124.0° | 120.0° |
| N4 | C18 | N3 | 124.0° | 125.2° |
| N4 | C18 | S2 | 114.4° | 109.7° |
| C21 | C22 | C23 | 111.0° | 109.5° |
| C22 | C21 | S2 | 120.0° | 125.9° |
| C21 | C22 | H16 | 109.1° | 109.5° |
| C21 | C22 | H17 | 109.1° | 109.4° |
| C22 | C23 | C24 | 111.3° | 109.5° |
| C23 | C22 | H16 | 109.1° | 109.5° |
| C23 | C22 | H17 | 109.1° | 109.5° |
| C22 | C23 | H18 | 109.0° | 109.5° |
| C22 | C23 | H19 | 109.0° | 109.4° |
| C21 | S2 | C18 | 88.0° | 90.2° |
| C28 | C27 | C26 | 121.1° | 120.0° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C28 | C27 | H23 | 119.5° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C27 | C26 | H22 | 120.1° | 120.0° |
| C26 | C27 | H23 | 119.4° | 120.1° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C28 | C29 | H24 | 120.3° | 120.0° |
| C16 | C17 | C13 | 111.5° | 109.9° |
| C17 | C16 | N3 | 114.2° | 108.5° |
| C17 | C16 | H12 | 108.3° | 109.6° |
| C17 | C16 | H13 | 108.2° | 109.8° |
| C16 | C17 | H14 | 108.9° | 109.4° |
| C16 | C17 | H15 | 109.0° | 109.4° |
| C17 | C13 | C12 | 118.6° | 118.4° |
| C17 | C13 | C14 | 120.5° | 121.7° |
| C13 | C17 | H14 | 109.0° | 109.4° |
| C13 | C17 | H15 | 108.9° | 109.4° |
| C26 | C25 | C30 | 119.8° | 120.0° |
| C26 | C25 | O4 | 123.1° | 120.0° |
| C25 | C26 | H22 | 120.1° | 120.0° |
| C29 | C30 | C25 | 120.5° | 120.0° |
| C30 | C29 | H24 | 120.2° | 120.0° |
| C29 | C30 | H25 | 119.7° | 120.0° |
| N3 | C18 | S2 | 121.5° | 125.2° |
| C18 | N3 | C16 | 122.5° | 111.0° |
| C18 | N3 | C15 | 116.5° | 111.0° |
| C16 | N3 | C15 | 120.8° | 110.3° |
| N3 | C16 | H12 | 108.3° | 109.6° |
| N3 | C16 | H13 | 108.3° | 109.6° |
| C30 | C25 | O4 | 117.1° | 120.0° |
| C25 | C30 | H25 | 119.8° | 120.0° |
| C25 | O4 | C24 | 123.6° | 117.0° |
| N3 | C15 | C14 | 116.3° | 110.5° |
| N3 | C15 | H10 | 107.7° | 109.3° |
| N3 | C15 | H11 | 107.7° | 109.2° |
| O4 | C24 | C23 | 107.2° | 109.5° |
| O4 | C24 | H20 | 110.0° | 109.5° |
| O4 | C24 | H21 | 110.0° | 109.4° |
| C24 | C23 | H18 | 109.0° | 109.5° |
| C24 | C23 | H19 | 109.0° | 109.5° |
| C23 | C24 | H20 | 110.0° | 109.5° |
| C23 | C24 | H21 | 110.1° | 109.5° |
| C12 | C13 | C14 | 120.8° | 119.9° |
| C13 | C12 | C11 | 120.7° | 120.7° |
| C13 | C12 | H9 | 119.7° | 119.7° |
| C13 | C14 | C15 | 120.5° | 121.9° |
| C13 | C14 | C9 | 118.8° | 119.6° |
| C15 | C14 | C9 | 120.7° | 118.5° |
| C14 | C15 | H10 | 107.7° | 109.3° |
| C14 | C15 | H11 | 107.8° | 109.2° |
| C12 | C11 | C10 | 118.3° | 120.0° |
| C12 | C11 | H8 | 120.9° | 120.0° |
| C11 | C12 | H9 | 119.7° | 119.6° |
| C14 | C9 | C10 | 120.0° | 120.1° |
| C14 | C9 | C8 | 124.2° | 119.9° |
| C11 | C10 | C9 | 121.3° | 119.7° |
| C11 | C10 | H7 | 119.4° | 120.1° |
| C10 | C11 | H8 | 120.9° | 120.0° |
| O1 | C8 | C9 | 122.4° | 120.1° |
| O1 | C8 | N2 | 116.0° | 119.9° |
| C10 | C9 | C8 | 115.2° | 120.0° |
| C9 | C10 | H7 | 119.3° | 120.2° |
| C9 | C8 | N2 | 121.2° | 120.0° |
| C8 | N2 | C7 | 126.8° | 120.0° |
| C8 | N2 | H2 | 116.6° | 119.9° |
| C7 | S1 | C1 | 89.5° | 90.4° |
| S1 | C7 | N2 | 123.5° | 124.8° |
| S1 | C7 | N1 | 114.1° | 110.4° |
| S1 | C1 | C2 | 126.6° | 131.2° |
| S1 | C1 | C6 | 111.3° | 108.4° |
| N2 | C7 | N1 | 121.2° | 124.8° |
| C7 | N2 | H2 | 116.6° | 120.0° |
| C7 | N1 | C6 | 110.3° | 117.9° |
| C1 | C2 | C3 | 119.7° | 120.2° |
| C2 | C1 | C6 | 122.0° | 120.4° |
| C1 | C2 | H1 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C3 | C2 | H1 | 120.1° | 119.8° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C1 | C6 | N1 | 114.5° | 112.8° |
| C1 | C6 | C5 | 118.3° | 118.4° |
| C3 | C4 | C5 | 121.0° | 120.6° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | H5 | 119.5° | 119.7° |
| N1 | C6 | C5 | 127.1° | 128.8° |
| C6 | C5 | C4 | 119.9° | 120.4° |
| C6 | C5 | H6 | 120.0° | 119.8° |
| C5 | C4 | H5 | 119.5° | 119.7° |
| C4 | C5 | H6 | 120.1° | 119.8° |
| H10 | C15 | H11 | 109.4° | 109.2° |
| H12 | C16 | H13 | 109.5° | 109.7° |
| H14 | C17 | H15 | 109.5° | 109.3° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C34 | N8 | H28 | 180.0° | 179.1° |
| C34 | N7 | C33 | C32 | 0.5° | 0.9° |
| N7 | C34 | N8 | C35 | 0.3° | 0.9° |
| C34 | N7 | C33 | H27 | 179.5° | 179.2° |
| C33 | N7 | C34 | N8 | 0.6° | 1.4° |
| N7 | C33 | C32 | H27 | 180.0° | 180.0° |
| N7 | C33 | C32 | C35 | 0.2° | 0.0° |
| N7 | C33 | C32 | C31 | 179.8° | 179.4° |
| C33 | N7 | C34 | H28 | 179.4° | 179.5° |
| O2 | C20 | O3 | C19 | 177.1° | 180.0° |
| O2 | C20 | C19 | N4 | 20.7° | 180.0° |
| O2 | C20 | C19 | C21 | 156.5° | 0.0° |
| O2 | C20 | O3 | H4 | 0.0° | 0.1° |
| C34 | N8 | C35 | C32 | 0.0° | 0.0° |
| C34 | N8 | C35 | N5 | 179.2° | 179.4° |
| C33 | C32 | C35 | N8 | 0.0° | 0.5° |
| C33 | C32 | C35 | C31 | 180.0° | 179.5° |
| C33 | C32 | C35 | N5 | 179.4° | 180.0° |
| C33 | C32 | C31 | N6 | 179.7° | 179.7° |
| C33 | C32 | C31 | H26 | 0.3° | 0.3° |
| N8 | C35 | C32 | N5 | 179.4° | 179.6° |
| N8 | C35 | C32 | C31 | 179.9° | 180.0° |
| N8 | C35 | N5 | N6 | 179.4° | 179.9° |
| N8 | C35 | N5 | C28 | 3.6° | 0.4° |
| C35 | N8 | C34 | H28 | 179.6° | 180.0° |
| O3 | C20 | C19 | N4 | 162.1° | 0.1° |
| O3 | C20 | C19 | C21 | 20.7° | 180.0° |
| C20 | C19 | N4 | C21 | 177.6° | 180.0° |
| C20 | C19 | N4 | C18 | 178.6° | 180.0° |
| C20 | C19 | C21 | C22 | 2.8° | 0.0° |
| C20 | C19 | C21 | S2 | 178.2° | 180.0° |
| C19 | C20 | O3 | H4 | 177.1° | 180.0° |
| C35 | C32 | C31 | N6 | 0.3° | 0.3° |
| C32 | C35 | N5 | N6 | 1.4° | 0.4° |
| C32 | C35 | N5 | C28 | 177.2° | 179.8° |
| C35 | C32 | C31 | H26 | 179.7° | 179.7° |
| C35 | C32 | C33 | H27 | 179.8° | 179.9° |
| C31 | C32 | C35 | N5 | 0.7° | 0.4° |
| C32 | C31 | N6 | H26 | 180.0° | 180.0° |
| C32 | C31 | N6 | N5 | 1.1° | 0.0° |
| C31 | C32 | C33 | H27 | 0.2° | 0.6° |
| C35 | N5 | N6 | C31 | 1.7° | 0.3° |
| C35 | N5 | N6 | C28 | 175.8° | 179.7° |
| C35 | N5 | C28 | C27 | 151.4° | 145.3° |
| C35 | N5 | C28 | C29 | 26.0° | 34.7° |
| C31 | N6 | N5 | C28 | 177.5° | 180.0° |
| N4 | C19 | C21 | C22 | 179.8° | 180.0° |
| N4 | C19 | C21 | S2 | 0.8° | 0.0° |
| C19 | N4 | C18 | N3 | 179.2° | 180.0° |
| C19 | N4 | C18 | S2 | 0.9° | 0.0° |
| C21 | C19 | N4 | C18 | 1.0° | 0.0° |
| C19 | C21 | C22 | S2 | 179.0° | 180.0° |
| C19 | C21 | C22 | C23 | 87.8° | 90.0° |
| C19 | C21 | S2 | C18 | 0.2° | 0.0° |
| C19 | C21 | C22 | H16 | 151.9° | 150.0° |
| C19 | C21 | C22 | H17 | 32.4° | 30.0° |
| N6 | N5 | C28 | C27 | 23.8° | 35.1° |
| N6 | N5 | C28 | C29 | 158.8° | 144.9° |
| N5 | N6 | C31 | H26 | 178.9° | 180.0° |
| N5 | C28 | C27 | C29 | 177.6° | 180.0° |
| N5 | C28 | C27 | C26 | 178.4° | 180.0° |
| N5 | C28 | C29 | C30 | 178.5° | 180.0° |
| N5 | C28 | C27 | H23 | 1.6° | 0.1° |
| N5 | C28 | C29 | H24 | 1.5° | 0.0° |
| N4 | C18 | S2 | C21 | 0.4° | 0.0° |
| N4 | C18 | N3 | S2 | 180.0° | 180.0° |
| N4 | C18 | N3 | C16 | 6.5° | 123.0° |
| N4 | C18 | N3 | C15 | 178.6° | 0.0° |
| C21 | C22 | C23 | H16 | 120.2° | 120.1° |
| C21 | C22 | C23 | H17 | 120.2° | 120.0° |
| C22 | C21 | S2 | C18 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 164.3° | 180.0° |
| C21 | C22 | H16 | H17 | 119.3° | 120.0° |
| C21 | C22 | C23 | H18 | 44.0° | 60.0° |
| C21 | C22 | C23 | H19 | 75.5° | 60.0° |
| C23 | C22 | C21 | S2 | 91.1° | 90.0° |
| C22 | C23 | C24 | O4 | 66.3° | 180.0° |
| C22 | C23 | C24 | H18 | 120.3° | 120.0° |
| C22 | C23 | C24 | H19 | 120.3° | 120.0° |
| C23 | C22 | H16 | H17 | 119.3° | 120.0° |
| C22 | C23 | H18 | H19 | 119.2° | 120.0° |
| C22 | C23 | C24 | H20 | 174.0° | 60.0° |
| C22 | C23 | C24 | H21 | 53.3° | 60.0° |
| C21 | S2 | C18 | N3 | 179.7° | 180.0° |
| S2 | C21 | C22 | H16 | 29.1° | 30.0° |
| S2 | C21 | C22 | H17 | 148.7° | 150.0° |
| C28 | C27 | C26 | H23 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.6° | 0.0° |
| C27 | C28 | C29 | C30 | 1.1° | 0.0° |
| C28 | C27 | C26 | H22 | 179.4° | 180.0° |
| C27 | C28 | C29 | H24 | 178.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.8° | 0.0° |
| C27 | C26 | C25 | H22 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.7° | 0.0° |
| C27 | C26 | C25 | O4 | 179.4° | 179.7° |
| C28 | C29 | C30 | H24 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 1.2° | 0.0° |
| C29 | C28 | C27 | H23 | 179.2° | 179.9° |
| C28 | C29 | C30 | H25 | 178.9° | 179.7° |
| C16 | C17 | C13 | H14 | 120.3° | 120.1° |
| C16 | C17 | C13 | H15 | 120.3° | 120.1° |
| C17 | C16 | N3 | C18 | 151.6° | 165.4° |
| C17 | C16 | N3 | H12 | 120.7° | 119.7° |
| C17 | C16 | N3 | H13 | 120.7° | 119.9° |
| C17 | C16 | N3 | C15 | 33.6° | 71.1° |
| C16 | C17 | C13 | C12 | 148.7° | 163.0° |
| C16 | C17 | C13 | C14 | 29.2° | 17.2° |
| C17 | C16 | H12 | H13 | 117.8° | 120.6° |
| C16 | C17 | H14 | H15 | 119.1° | 119.7° |
| C13 | C17 | C16 | N3 | 46.0° | 50.5° |
| C17 | C13 | C12 | C14 | 177.9° | 179.8° |
| C17 | C13 | C14 | C15 | 1.9° | 0.8° |
| C17 | C13 | C12 | C11 | 179.2° | 179.6° |
| C17 | C13 | C14 | C9 | 178.6° | 179.5° |
| C17 | C13 | C12 | H9 | 0.9° | 0.4° |
| C13 | C17 | C16 | H12 | 166.7° | 69.2° |
| C13 | C17 | C16 | H13 | 74.7° | 170.3° |
| C13 | C17 | H14 | H15 | 119.0° | 119.8° |
| C26 | C25 | C30 | C29 | 1.0° | 0.0° |
| C26 | C25 | C30 | O4 | 178.8° | 179.7° |
| C26 | C25 | O4 | C24 | 173.2° | 0.3° |
| C25 | C26 | C27 | H23 | 179.4° | 179.9° |
| C26 | C25 | C30 | H25 | 179.1° | 179.7° |
| C29 | C30 | C25 | H25 | 180.0° | 179.7° |
| C29 | C30 | C25 | O4 | 179.7° | 179.7° |
| C18 | N3 | C16 | C15 | 174.8° | 123.4° |
| C18 | N3 | C15 | C14 | 176.9° | 175.8° |
| C18 | N3 | C15 | H10 | 62.1° | 63.9° |
| C18 | N3 | C15 | H11 | 55.9° | 55.6° |
| C18 | N3 | C16 | H12 | 30.9° | 74.9° |
| C18 | N3 | C16 | H13 | 87.7° | 45.6° |
| S2 | C18 | N3 | C16 | 173.6° | 57.0° |
| S2 | C18 | N3 | C15 | 1.4° | 180.0° |
| C16 | N3 | C15 | C14 | 1.9° | 52.4° |
| C16 | N3 | C15 | H10 | 122.9° | 172.7° |
| C16 | N3 | C15 | H11 | 119.2° | 67.8° |
| N3 | C16 | H12 | H13 | 117.9° | 120.4° |
| N3 | C16 | C17 | H14 | 166.3° | 69.7° |
| N3 | C16 | C17 | H15 | 74.3° | 170.6° |
| C30 | C25 | O4 | C24 | 8.1° | 180.0° |
| C30 | C25 | C26 | H22 | 179.3° | 180.0° |
| C25 | C30 | C29 | H24 | 178.8° | 180.0° |
| C25 | O4 | C24 | C23 | 175.2° | 180.0° |
| C25 | O4 | C24 | H20 | 65.1° | 60.0° |
| C25 | O4 | C24 | H21 | 55.6° | 60.0° |
| O4 | C25 | C26 | H22 | 0.6° | 0.3° |
| O4 | C25 | C30 | H25 | 0.3° | 0.0° |
| N3 | C15 | C14 | C13 | 16.9° | 17.6° |
| N3 | C15 | C14 | H10 | 121.0° | 120.3° |
| N3 | C15 | C14 | H11 | 121.0° | 120.2° |
| N3 | C15 | C14 | C9 | 163.6° | 162.6° |
| N3 | C15 | H10 | H11 | 116.9° | 119.5° |
| C15 | N3 | C16 | H12 | 154.3° | 48.6° |
| C15 | N3 | C16 | H13 | 87.1° | 169.0° |
| O4 | C24 | C23 | H20 | 119.6° | 120.0° |
| O4 | C24 | C23 | H21 | 119.6° | 119.9° |
| O4 | C24 | C23 | H18 | 173.4° | 60.1° |
| O4 | C24 | C23 | H19 | 53.9° | 60.0° |
| O4 | C24 | H20 | H21 | 121.0° | 120.0° |
| C24 | C23 | C22 | H16 | 75.5° | 60.0° |
| C24 | C23 | C22 | H17 | 44.1° | 60.0° |
| C24 | C23 | H18 | H19 | 119.2° | 120.0° |
| C23 | C24 | H20 | H21 | 121.1° | 120.0° |
| C12 | C13 | C14 | C15 | 179.8° | 179.5° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.7° | 0.3° |
| C13 | C12 | C11 | C10 | 1.9° | 0.1° |
| C13 | C12 | C11 | H8 | 178.1° | 180.0° |
| C12 | C13 | C17 | H14 | 28.4° | 76.8° |
| C12 | C13 | C17 | H15 | 91.0° | 42.9° |
| C13 | C14 | C15 | C9 | 179.5° | 179.8° |
| C14 | C13 | C12 | C11 | 2.9° | 0.1° |
| C13 | C14 | C9 | C10 | 2.4° | 0.2° |
| C13 | C14 | C9 | C8 | 172.8° | 179.8° |
| C14 | C13 | C12 | H9 | 177.1° | 179.8° |
| C13 | C14 | C15 | H10 | 104.1° | 138.0° |
| C13 | C14 | C15 | H11 | 137.9° | 102.6° |
| C14 | C13 | C17 | H14 | 149.5° | 102.9° |
| C14 | C13 | C17 | H15 | 91.1° | 137.3° |
| C15 | C14 | C9 | C10 | 177.1° | 179.5° |
| C15 | C14 | C9 | C8 | 6.7° | 0.5° |
| C14 | C15 | H10 | H11 | 116.9° | 119.5° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.3° | 0.1° |
| C12 | C11 | C10 | H7 | 178.7° | 179.9° |
| C14 | C9 | C10 | C11 | 3.5° | 0.0° |
| C14 | C9 | C8 | O1 | 13.3° | 0.0° |
| C14 | C9 | C10 | C8 | 171.2° | 180.0° |
| C14 | C9 | C8 | N2 | 175.2° | 180.0° |
| C14 | C9 | C10 | H7 | 176.5° | 180.0° |
| C9 | C14 | C15 | H10 | 75.4° | 42.3° |
| C9 | C14 | C15 | H11 | 42.6° | 77.2° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 174.7° | 180.0° |
| C10 | C11 | C12 | H9 | 178.1° | 180.0° |
| O1 | C8 | C9 | C10 | 157.5° | 180.0° |
| O1 | C8 | C9 | N2 | 171.5° | 180.0° |
| O1 | C8 | N2 | C7 | 4.6° | 0.0° |
| O1 | C8 | N2 | H2 | 175.4° | 180.0° |
| C10 | C9 | C8 | N2 | 14.0° | 0.0° |
| C9 | C10 | C11 | H8 | 178.8° | 179.9° |
| C9 | C8 | N2 | C7 | 167.4° | 180.0° |
| C9 | C8 | N2 | H2 | 12.6° | 0.0° |
| C8 | C9 | C10 | H7 | 5.3° | 0.0° |
| C8 | N2 | C7 | S1 | 5.6° | 180.0° |
| C8 | N2 | C7 | H2 | 180.0° | 180.0° |
| C8 | N2 | C7 | N1 | 173.0° | 0.1° |
| S1 | C7 | N2 | N1 | 167.4° | 179.9° |
| C7 | S1 | C1 | C2 | 177.1° | 179.7° |
| C7 | S1 | C1 | C6 | 1.3° | 0.0° |
| S1 | C7 | N1 | C6 | 5.2° | 0.0° |
| S1 | C7 | N2 | H2 | 174.4° | 0.0° |
| C1 | S1 | C7 | N2 | 172.0° | 180.0° |
| C1 | S1 | C7 | N1 | 3.8° | 0.0° |
| S1 | C1 | C2 | C6 | 178.3° | 179.6° |
| S1 | C1 | C2 | C3 | 179.4° | 179.7° |
| S1 | C1 | C6 | N1 | 1.3° | 0.0° |
| S1 | C1 | C6 | C5 | 179.5° | 179.7° |
| S1 | C1 | C2 | H1 | 0.5° | 0.3° |
| N2 | C7 | N1 | C6 | 173.7° | 179.9° |
| C7 | N1 | C6 | C1 | 4.1° | 0.0° |
| C7 | N1 | C6 | C5 | 176.7° | 179.7° |
| N1 | C7 | N2 | H2 | 7.0° | 179.9° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C1 | C6 | N1 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | H5 | 179.5° | 180.0° |
| C1 | C6 | N1 | C5 | 179.1° | 179.8° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C1 | C2 | H1 | 178.8° | 180.0° |
| C1 | C6 | C5 | H6 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.1° | 179.9° |
| C3 | C4 | C5 | H6 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 179.6° | 179.7° |
| N1 | C6 | C5 | H6 | 0.4° | 0.3° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| H1 | C2 | C3 | H3 | 0.9° | 0.0° |
| H3 | C3 | C4 | H5 | 0.5° | 0.1° |
| H5 | C4 | C5 | H6 | 0.3° | 0.0° |
| H7 | C10 | C11 | H8 | 1.2° | 0.1° |
| H8 | C11 | C12 | H9 | 2.0° | 0.0° |
| H12 | C16 | C17 | H14 | 73.0° | 170.6° |
| H12 | C16 | C17 | H15 | 46.4° | 51.0° |
| H13 | C16 | C17 | H14 | 45.6° | 50.1° |
| H13 | C16 | C17 | H15 | 165.0° | 69.6° |
| H16 | C22 | C23 | H18 | 164.2° | 179.9° |
| H16 | C22 | C23 | H19 | 44.7° | 60.0° |
| H17 | C22 | C23 | H18 | 76.2° | 60.0° |
| H17 | C22 | C23 | H19 | 164.3° | 180.0° |
| H18 | C23 | C24 | H20 | 53.8° | 59.9° |
| H18 | C23 | C24 | H21 | 66.9° | 180.0° |
| H19 | C23 | C24 | H20 | 65.7° | 180.0° |
| H19 | C23 | C24 | H21 | 173.6° | 59.9° |
| H22 | C26 | C27 | H23 | 0.6° | 0.1° |
| H24 | C29 | C30 | H25 | 1.1° | 0.3° |
