1IV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C14 | sing | 1.41Å | 1.48Å | Aromatic |
| C4 | N | sing | 1.38Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.48Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| N | C5 | sing | 1.47Å | 1.49Å | |
| N | C12 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | N6 | sing | 1.47Å | 1.49Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.34Å | 1.43Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.75Å | |
| C9 | C8 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C16 | sing | 1.51Å | 1.53Å | |
| C30 | N5 | doub | 1.30Å | 1.34Å | Aromatic |
| C30 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.55Å | 1.51Å | |
| C17 | C16 | sing | 1.54Å | 1.54Å | |
| C18 | N4 | sing | 1.46Å | 1.49Å | |
| C18 | C19 | sing | 1.55Å | 1.56Å | |
| C16 | N1 | sing | 1.47Å | 1.46Å | |
| N5 | C29 | sing | 1.34Å | 1.35Å | Aromatic |
| N4 | C28 | sing | 1.37Å | 1.40Å | Aromatic |
| N1 | C19 | sing | 1.47Å | 1.45Å | |
| N1 | C20 | sing | 1.35Å | 1.32Å | |
| C29 | C28 | doub | 1.35Å | 1.35Å | Aromatic |
| C22 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| N2 | C23 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.48Å | |
| C20 | O | doub | 1.22Å | 1.26Å | |
| C21 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C23 | C26 | sing | 1.41Å | 1.50Å | Aromatic |
| N3 | C24 | sing | 1.37Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.46Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.34Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| N6 | H21 | sing | 1.01Å | 1.00Å | |
| N6 | H22 | sing | 1.01Å | 1.00Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 118.6° | 119.7° |
| C | C1 | C15 | 120.5° | 119.8° |
| C1 | C | H29 | 109.5° | 109.5° |
| C1 | C | H30 | 109.5° | 109.5° |
| C1 | C | H31 | 109.5° | 109.4° |
| C1 | C2 | C3 | 119.3° | 120.7° |
| C2 | C1 | C15 | 120.8° | 120.5° |
| C1 | C2 | H1 | 120.3° | 119.7° |
| C2 | C3 | C4 | 120.5° | 119.8° |
| C3 | C2 | H1 | 120.3° | 119.7° |
| C2 | C3 | H2 | 119.7° | 120.1° |
| C1 | C15 | C14 | 121.3° | 119.8° |
| C1 | C15 | H11 | 119.3° | 120.1° |
| C3 | C4 | C14 | 120.2° | 119.4° |
| C3 | C4 | N | 135.9° | 133.5° |
| C4 | C3 | H2 | 119.8° | 120.1° |
| C15 | C14 | C4 | 117.6° | 119.9° |
| C15 | C14 | C13 | 132.5° | 134.0° |
| C14 | C15 | H11 | 119.3° | 120.1° |
| C14 | C4 | N | 103.8° | 107.1° |
| C4 | C14 | C13 | 109.9° | 106.1° |
| C4 | N | C5 | 124.2° | 125.0° |
| C4 | N | C12 | 113.0° | 109.9° |
| C14 | C13 | C12 | 101.2° | 107.0° |
| C14 | C13 | H10 | 129.4° | 126.5° |
| C10 | C11 | C6 | 119.4° | 120.0° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C11 | C10 | H8 | 119.7° | 120.0° |
| C10 | C11 | H9 | 120.3° | 120.0° |
| C11 | C6 | C5 | 115.9° | 120.0° |
| C11 | C6 | C7 | 117.8° | 120.0° |
| C6 | C11 | H9 | 120.3° | 120.0° |
| C5 | N | C12 | 122.6° | 125.1° |
| N | C5 | C6 | 108.3° | 109.5° |
| N | C5 | H3 | 109.8° | 109.5° |
| N | C5 | H4 | 109.8° | 109.5° |
| N | C12 | C13 | 112.0° | 110.0° |
| N | C12 | C16 | 125.5° | 125.0° |
| C5 | C6 | C7 | 126.3° | 120.0° |
| C6 | C5 | H3 | 109.7° | 109.5° |
| C6 | C5 | H4 | 109.8° | 109.5° |
| C10 | C9 | CL | 123.4° | 120.0° |
| C10 | C9 | C8 | 122.8° | 120.0° |
| C9 | C10 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | 125.3° | 120.0° |
| C6 | C7 | H6 | 117.3° | 120.0° |
| N6 | C31 | C30 | 108.1° | 109.5° |
| N6 | C31 | H19 | 109.8° | 109.5° |
| N6 | C31 | H20 | 109.8° | 109.5° |
| C31 | N6 | H21 | 109.5° | 111.0° |
| C31 | N6 | H22 | 109.4° | 111.0° |
| C31 | C30 | N5 | 125.0° | 125.7° |
| C31 | C30 | N4 | 127.1° | 125.6° |
| C30 | C31 | H19 | 109.8° | 109.5° |
| C30 | C31 | H20 | 109.8° | 109.4° |
| C13 | C12 | C16 | 122.4° | 125.0° |
| C12 | C13 | H10 | 129.4° | 126.5° |
| CL | C9 | C8 | 113.5° | 120.0° |
| C9 | C8 | C7 | 113.9° | 119.9° |
| C9 | C8 | H7 | 123.1° | 120.1° |
| C8 | C7 | H6 | 117.4° | 120.0° |
| C7 | C8 | H7 | 123.0° | 120.0° |
| C12 | C16 | C17 | 111.0° | 109.9° |
| C12 | C16 | N1 | 115.6° | 109.6° |
| C12 | C16 | H28 | 108.6° | 109.9° |
| N5 | C30 | N4 | 108.0° | 108.7° |
| C30 | N5 | C29 | 108.4° | 109.3° |
| C30 | N4 | C18 | 128.0° | 126.4° |
| C30 | N4 | C28 | 109.1° | 107.2° |
| C18 | C17 | C16 | 103.5° | 102.8° |
| C17 | C18 | N4 | 115.7° | 111.0° |
| C17 | C18 | C19 | 103.9° | 101.6° |
| C17 | C18 | H18 | 109.7° | 111.0° |
| C18 | C17 | H26 | 110.9° | 110.7° |
| C18 | C17 | H27 | 110.9° | 110.7° |
| C17 | C16 | N1 | 103.4° | 107.3° |
| C16 | C17 | H26 | 110.9° | 110.9° |
| C16 | C17 | H27 | 111.0° | 110.6° |
| C17 | C16 | H28 | 108.5° | 109.9° |
| N4 | C18 | C19 | 108.2° | 111.0° |
| C18 | N4 | C28 | 122.8° | 126.4° |
| N4 | C18 | H18 | 110.0° | 110.9° |
| C18 | C19 | N1 | 102.1° | 104.9° |
| C18 | C19 | H16 | 111.3° | 110.4° |
| C18 | C19 | H17 | 111.3° | 110.5° |
| C19 | C18 | H18 | 109.1° | 111.0° |
| C16 | N1 | C19 | 113.8° | 108.7° |
| C16 | N1 | C20 | 121.5° | 125.6° |
| N1 | C16 | H28 | 109.5° | 110.3° |
| N5 | C29 | C28 | 109.6° | 108.0° |
| N5 | C29 | H24 | 125.2° | 126.0° |
| N4 | C28 | C29 | 104.8° | 106.8° |
| N4 | C28 | H25 | 127.6° | 126.6° |
| C19 | N1 | C20 | 124.7° | 125.7° |
| N1 | C19 | H16 | 111.3° | 110.4° |
| N1 | C19 | H17 | 111.3° | 110.4° |
| N1 | C20 | C21 | 125.3° | 120.0° |
| N1 | C20 | O | 118.0° | 120.0° |
| C28 | C29 | H24 | 125.2° | 126.0° |
| C29 | C28 | H25 | 127.6° | 126.6° |
| N2 | C22 | C21 | 122.8° | 121.4° |
| C22 | N2 | C23 | 118.4° | 121.9° |
| N2 | C22 | H15 | 118.6° | 119.3° |
| C22 | C21 | C20 | 116.7° | 120.5° |
| C22 | C21 | C27 | 122.9° | 119.1° |
| C21 | C22 | H15 | 118.6° | 119.3° |
| N2 | C23 | N3 | 133.8° | 132.9° |
| N2 | C23 | C26 | 120.6° | 120.1° |
| C21 | C20 | O | 116.6° | 120.0° |
| C20 | C21 | C27 | 120.3° | 120.4° |
| C21 | C27 | C26 | 114.6° | 117.9° |
| C21 | C27 | H12 | 122.7° | 121.0° |
| N3 | C23 | C26 | 105.5° | 107.0° |
| C23 | N3 | C24 | 110.3° | 110.1° |
| C23 | N3 | H5 | 124.8° | 125.0° |
| C23 | C26 | C27 | 120.6° | 119.6° |
| C23 | C26 | C25 | 108.8° | 106.2° |
| N3 | C24 | C25 | 111.7° | 109.9° |
| C24 | N3 | H5 | 124.9° | 124.9° |
| N3 | C24 | H14 | 124.1° | 125.0° |
| C27 | C26 | C25 | 130.5° | 134.2° |
| C26 | C27 | H12 | 122.7° | 121.0° |
| C26 | C25 | C24 | 103.7° | 106.8° |
| C26 | C25 | H13 | 128.1° | 126.6° |
| C24 | C25 | H13 | 128.1° | 126.5° |
| C25 | C24 | H14 | 124.2° | 125.0° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 110.3° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H21 | N6 | H22 | 109.4° | 111.0° |
| H26 | C17 | H27 | 109.5° | 110.8° |
| H29 | C | H30 | 109.5° | 109.5° |
| H29 | C | H31 | 109.5° | 109.5° |
| H30 | C | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C15 | 176.8° | 179.7° |
| C | C1 | C2 | C3 | 178.8° | 179.7° |
| C | C1 | C15 | C14 | 178.4° | 179.7° |
| C | C1 | C2 | H1 | 1.2° | 0.3° |
| C | C1 | C15 | H11 | 1.6° | 0.3° |
| C1 | C | H29 | H30 | 120.0° | 120.1° |
| C1 | C | H29 | H31 | 120.0° | 120.0° |
| C1 | C | H30 | H31 | 120.0° | 120.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 3.4° | 0.0° |
| C2 | C1 | C15 | C14 | 4.9° | 0.0° |
| C1 | C2 | C3 | H2 | 176.6° | 180.0° |
| C2 | C1 | C15 | H11 | 175.1° | 180.0° |
| C2 | C1 | C | H29 | 88.5° | 89.7° |
| C2 | C1 | C | H30 | 151.5° | 30.3° |
| C2 | C1 | C | H31 | 31.6° | 150.3° |
| C3 | C2 | C1 | C15 | 4.4° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C14 | 2.9° | 0.0° |
| C2 | C3 | C4 | N | 178.0° | 180.0° |
| C1 | C15 | C14 | H11 | 180.0° | 180.0° |
| C1 | C15 | C14 | C4 | 4.3° | 0.1° |
| C1 | C15 | C14 | C13 | 178.6° | 179.9° |
| C15 | C1 | C2 | H1 | 175.6° | 180.0° |
| C15 | C1 | C | H29 | 88.3° | 90.0° |
| C15 | C1 | C | H30 | 31.7° | 150.0° |
| C15 | C1 | C | H31 | 151.7° | 30.0° |
| C3 | C4 | C14 | C15 | 3.2° | 0.1° |
| C3 | C4 | C14 | N | 176.5° | 180.0° |
| C3 | C4 | C14 | C13 | 179.0° | 180.0° |
| C3 | C4 | N | C5 | 8.1° | 0.1° |
| C3 | C4 | N | C12 | 176.6° | 180.0° |
| C4 | C3 | C2 | H1 | 176.6° | 180.0° |
| C15 | C14 | C4 | C13 | 177.8° | 179.9° |
| C15 | C14 | C4 | N | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 179.7° | 179.9° |
| C15 | C14 | C13 | H10 | 0.3° | 0.1° |
| C14 | C4 | N | C5 | 176.3° | 180.0° |
| C14 | C4 | N | C12 | 1.0° | 0.1° |
| C4 | C14 | C13 | C12 | 2.9° | 0.0° |
| C14 | C4 | C3 | H2 | 177.1° | 180.0° |
| C4 | C14 | C13 | H10 | 177.0° | 180.0° |
| C4 | C14 | C15 | H11 | 175.8° | 180.0° |
| N | C4 | C14 | C13 | 2.5° | 0.0° |
| C4 | N | C5 | C12 | 174.9° | 179.9° |
| C4 | N | C5 | C6 | 65.1° | 88.3° |
| C4 | N | C12 | C13 | 1.0° | 0.1° |
| C4 | N | C12 | C16 | 177.3° | 180.0° |
| N | C4 | C3 | H2 | 2.0° | 0.0° |
| C4 | N | C5 | H3 | 54.7° | 31.7° |
| C4 | N | C5 | H4 | 175.1° | 151.7° |
| C14 | C13 | C12 | N | 2.4° | 0.0° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C16 | 178.8° | 180.0° |
| C13 | C14 | C15 | H11 | 1.4° | 0.1° |
| C10 | C11 | C6 | H9 | 180.0° | 179.4° |
| C10 | C11 | C6 | C5 | 178.5° | 179.7° |
| C11 | C10 | C9 | H8 | 180.0° | 179.8° |
| C10 | C11 | C6 | C7 | 1.9° | 0.6° |
| C11 | C10 | C9 | CL | 177.8° | 179.7° |
| C11 | C10 | C9 | C8 | 4.0° | 0.2° |
| C11 | C6 | C5 | N | 157.9° | 84.2° |
| C11 | C6 | C5 | C7 | 179.6° | 179.7° |
| C6 | C11 | C10 | C9 | 2.5° | 0.5° |
| C11 | C6 | C7 | C8 | 2.9° | 0.3° |
| C11 | C6 | C5 | H3 | 38.1° | 35.8° |
| C11 | C6 | C5 | H4 | 82.3° | 155.8° |
| C11 | C6 | C7 | H6 | 177.1° | 179.7° |
| C6 | C11 | C10 | H8 | 177.5° | 179.6° |
| N | C5 | C6 | H3 | 119.8° | 120.0° |
| N | C5 | C6 | H4 | 119.8° | 120.0° |
| N | C5 | C6 | C7 | 22.5° | 96.1° |
| C5 | N | C12 | C13 | 174.5° | 179.9° |
| C5 | N | C12 | C16 | 1.8° | 0.1° |
| N | C5 | H3 | H4 | 120.6° | 120.0° |
| C12 | N | C5 | C6 | 109.9° | 91.6° |
| N | C12 | C13 | C16 | 176.4° | 180.0° |
| N | C12 | C16 | C17 | 78.3° | 92.2° |
| N | C12 | C16 | N1 | 164.3° | 150.2° |
| C12 | N | C5 | H3 | 130.3° | 148.4° |
| C12 | N | C5 | H4 | 9.9° | 28.5° |
| N | C12 | C13 | H10 | 177.6° | 180.0° |
| N | C12 | C16 | H28 | 40.9° | 28.8° |
| C5 | C6 | C7 | C8 | 177.5° | 180.0° |
| C6 | C5 | H3 | H4 | 120.5° | 120.0° |
| C5 | C6 | C7 | H6 | 2.5° | 0.0° |
| C5 | C6 | C11 | H9 | 1.4° | 0.3° |
| C10 | C9 | CL | C8 | 174.3° | 179.9° |
| C10 | C9 | C8 | C7 | 4.6° | 0.1° |
| C10 | C9 | C8 | H7 | 175.4° | 180.0° |
| C9 | C10 | C11 | H9 | 177.5° | 179.9° |
| C6 | C7 | C8 | C9 | 4.1° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H3 | 142.3° | 143.8° |
| C7 | C6 | C5 | H4 | 97.3° | 23.9° |
| C6 | C7 | C8 | H7 | 175.9° | 180.0° |
| C7 | C6 | C11 | H9 | 178.2° | 180.0° |
| N6 | C31 | C30 | H19 | 119.8° | 120.0° |
| N6 | C31 | C30 | H20 | 119.8° | 120.0° |
| N6 | C31 | C30 | N5 | 64.6° | 90.0° |
| N6 | C31 | C30 | N4 | 115.8° | 90.0° |
| N6 | C31 | H19 | H20 | 120.6° | 120.0° |
| C31 | N6 | H21 | H22 | 120.0° | 124.0° |
| C31 | C30 | N5 | N4 | 179.7° | 180.0° |
| C31 | C30 | N4 | C18 | 0.3° | 0.0° |
| C31 | C30 | N5 | C29 | 177.8° | 180.0° |
| C31 | C30 | N4 | C28 | 179.4° | 179.7° |
| C30 | C31 | H19 | H20 | 120.7° | 120.0° |
| C30 | C31 | N6 | H21 | 180.0° | 180.0° |
| C30 | C31 | N6 | H22 | 60.0° | 56.0° |
| C13 | C12 | C16 | C17 | 105.7° | 87.8° |
| C13 | C12 | C16 | N1 | 11.6° | 29.8° |
| C13 | C12 | C16 | H28 | 135.0° | 151.2° |
| CL | C9 | C8 | C7 | 179.0° | 180.0° |
| CL | C9 | C8 | H7 | 1.0° | 0.0° |
| CL | C9 | C10 | H8 | 2.2° | 0.1° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C9 | C8 | C7 | H6 | 175.9° | 180.0° |
| C8 | C9 | C10 | H8 | 176.0° | 180.0° |
| C12 | C16 | C17 | C18 | 96.4° | 141.6° |
| C12 | C16 | C17 | N1 | 124.6° | 119.1° |
| C12 | C16 | C17 | H28 | 119.3° | 121.0° |
| C12 | C16 | N1 | H28 | 123.0° | 121.1° |
| C12 | C16 | N1 | C19 | 112.8° | 118.6° |
| C12 | C16 | N1 | C20 | 64.9° | 61.7° |
| C16 | C12 | C13 | H10 | 1.1° | 0.0° |
| C12 | C16 | C17 | H26 | 22.6° | 23.2° |
| C12 | C16 | C17 | H27 | 144.6° | 100.1° |
| N5 | C30 | N4 | C18 | 179.9° | 180.0° |
| N5 | C30 | N4 | C28 | 0.2° | 0.2° |
| C30 | N5 | C29 | C28 | 2.9° | 0.3° |
| N5 | C30 | C31 | H19 | 175.6° | 150.0° |
| N5 | C30 | C31 | H20 | 55.1° | 30.0° |
| C30 | N5 | C29 | H24 | 177.2° | 180.0° |
| C30 | N4 | C18 | C17 | 116.0° | 126.6° |
| C30 | N4 | C18 | C28 | 179.7° | 179.7° |
| C30 | N4 | C18 | C19 | 128.0° | 121.2° |
| N4 | C30 | N5 | C29 | 1.8° | 0.0° |
| C30 | N4 | C28 | C29 | 1.5° | 0.4° |
| C30 | N4 | C18 | H18 | 8.9° | 2.7° |
| N4 | C30 | C31 | H19 | 4.0° | 30.0° |
| N4 | C30 | C31 | H20 | 124.5° | 150.0° |
| C30 | N4 | C28 | H25 | 178.5° | 179.7° |
| C18 | C17 | C16 | H26 | 119.0° | 118.4° |
| C18 | C17 | C16 | H27 | 119.0° | 118.3° |
| C17 | C18 | N4 | C19 | 116.0° | 112.2° |
| C17 | C18 | N4 | H18 | 125.0° | 123.9° |
| C17 | C18 | C19 | H18 | 116.9° | 118.0° |
| C18 | C17 | C16 | N1 | 28.1° | 22.5° |
| C17 | C18 | N4 | C28 | 63.6° | 53.7° |
| C17 | C18 | C19 | N1 | 31.0° | 37.0° |
| C17 | C18 | C19 | H16 | 87.8° | 81.8° |
| C17 | C18 | C19 | H17 | 149.8° | 156.0° |
| C18 | C17 | H26 | H27 | 122.7° | 123.2° |
| C18 | C17 | C16 | H28 | 144.3° | 97.4° |
| C16 | C17 | C18 | N4 | 155.1° | 82.4° |
| C16 | C17 | C18 | C19 | 36.7° | 35.7° |
| C17 | C16 | N1 | H28 | 115.5° | 119.6° |
| C17 | C16 | N1 | C19 | 8.7° | 0.7° |
| C17 | C16 | N1 | C20 | 173.6° | 179.0° |
| C16 | C17 | C18 | H18 | 79.7° | 153.8° |
| C16 | C17 | H26 | H27 | 122.8° | 123.2° |
| N4 | C18 | C19 | H18 | 119.7° | 123.9° |
| N4 | C18 | C19 | N1 | 154.5° | 81.0° |
| C18 | N4 | C28 | C29 | 178.2° | 179.8° |
| N4 | C18 | C19 | H16 | 35.7° | 160.1° |
| N4 | C18 | C19 | H17 | 86.7° | 37.9° |
| C18 | N4 | C28 | H25 | 1.7° | 0.1° |
| N4 | C18 | C17 | H26 | 85.8° | 159.1° |
| N4 | C18 | C17 | H27 | 36.1° | 35.8° |
| C18 | C19 | N1 | C16 | 13.7° | 23.9° |
| C19 | C18 | N4 | C28 | 52.3° | 58.5° |
| C18 | C19 | N1 | H16 | 118.8° | 118.9° |
| C18 | C19 | N1 | H17 | 118.8° | 119.0° |
| C18 | C19 | N1 | C20 | 163.9° | 155.8° |
| C18 | C19 | H16 | H17 | 123.4° | 122.3° |
| C19 | C18 | C17 | H26 | 155.8° | 82.9° |
| C19 | C18 | C17 | H27 | 82.3° | 153.9° |
| C16 | N1 | C19 | C20 | 177.6° | 179.7° |
| C16 | N1 | C20 | C21 | 14.7° | 1.8° |
| C16 | N1 | C20 | O | 168.7° | 178.2° |
| C16 | N1 | C19 | H16 | 105.1° | 94.9° |
| C16 | N1 | C19 | H17 | 132.5° | 142.9° |
| N1 | C16 | C17 | H26 | 147.2° | 95.9° |
| N1 | C16 | C17 | H27 | 90.9° | 140.8° |
| N5 | C29 | C28 | N4 | 2.6° | 0.4° |
| N5 | C29 | C28 | H24 | 180.0° | 179.7° |
| N5 | C29 | C28 | H25 | 177.4° | 179.7° |
| N4 | C28 | C29 | H25 | 180.0° | 179.9° |
| C28 | N4 | C18 | H18 | 171.4° | 177.5° |
| N4 | C28 | C29 | H24 | 177.4° | 179.9° |
| C19 | N1 | C20 | C21 | 167.9° | 177.9° |
| C19 | N1 | C20 | O | 8.7° | 2.1° |
| N1 | C19 | H16 | H17 | 123.4° | 122.2° |
| N1 | C19 | C18 | H18 | 85.9° | 155.1° |
| C19 | N1 | C16 | H28 | 124.2° | 120.3° |
| N1 | C20 | C21 | C22 | 130.4° | 7.5° |
| N1 | C20 | C21 | O | 176.7° | 180.0° |
| N1 | C20 | C21 | C27 | 54.1° | 172.5° |
| C20 | N1 | C19 | H16 | 77.3° | 85.3° |
| C20 | N1 | C19 | H17 | 45.1° | 36.8° |
| C20 | N1 | C16 | H28 | 58.1° | 59.4° |
| N2 | C22 | C21 | H15 | 180.0° | 179.9° |
| N2 | C22 | C21 | C20 | 173.7° | 180.0° |
| N2 | C22 | C21 | C27 | 1.7° | 0.0° |
| C22 | N2 | C23 | N3 | 177.7° | 180.0° |
| C22 | N2 | C23 | C26 | 1.3° | 0.1° |
| C21 | C22 | N2 | C23 | 0.3° | 0.1° |
| C22 | C21 | C20 | C27 | 175.5° | 180.0° |
| C22 | C21 | C20 | O | 52.9° | 172.5° |
| C22 | C21 | C27 | C26 | 2.5° | 0.0° |
| C22 | C21 | C27 | H12 | 177.5° | 180.0° |
| N2 | C23 | N3 | C26 | 176.8° | 179.9° |
| N2 | C23 | N3 | C24 | 178.0° | 180.0° |
| N2 | C23 | C26 | C27 | 0.3° | 0.0° |
| N2 | C23 | C26 | C25 | 178.5° | 180.0° |
| N2 | C23 | N3 | H5 | 1.9° | 0.0° |
| C23 | N2 | C22 | H15 | 179.7° | 180.0° |
| C20 | C21 | C27 | C26 | 172.7° | 180.0° |
| C20 | C21 | C27 | H12 | 7.3° | 0.0° |
| C20 | C21 | C22 | H15 | 6.4° | 0.1° |
| O | C20 | C21 | C27 | 122.6° | 7.5° |
| C21 | C27 | C26 | C23 | 1.5° | 0.0° |
| C21 | C27 | C26 | H12 | 180.0° | 179.9° |
| C21 | C27 | C26 | C25 | 180.0° | 180.0° |
| C27 | C21 | C22 | H15 | 178.3° | 179.9° |
| C23 | N3 | C24 | H5 | 180.0° | 179.9° |
| N3 | C23 | C26 | C27 | 177.6° | 180.0° |
| N3 | C23 | C26 | C25 | 1.1° | 0.0° |
| C23 | N3 | C24 | C25 | 1.0° | 0.0° |
| C23 | N3 | C24 | H14 | 179.0° | 179.9° |
| C26 | C23 | N3 | C24 | 1.3° | 0.0° |
| C23 | C26 | C27 | C25 | 178.4° | 180.0° |
| C23 | C26 | C25 | C24 | 0.5° | 0.0° |
| C26 | C23 | N3 | H5 | 178.7° | 179.9° |
| C23 | C26 | C27 | H12 | 178.5° | 179.9° |
| C23 | C26 | C25 | H13 | 179.4° | 180.0° |
| N3 | C24 | C25 | C26 | 0.2° | 0.0° |
| N3 | C24 | C25 | H14 | 180.0° | 180.0° |
| N3 | C24 | C25 | H13 | 179.8° | 180.0° |
| C27 | C26 | C25 | C24 | 178.0° | 180.0° |
| C27 | C26 | C25 | H13 | 2.0° | 0.0° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | H12 | 0.1° | 0.1° |
| C26 | C25 | C24 | H14 | 179.8° | 179.9° |
| C25 | C24 | N3 | H5 | 179.0° | 179.9° |
| H1 | C2 | C3 | H2 | 3.4° | 0.0° |
| H5 | N3 | C24 | H14 | 1.0° | 0.1° |
| H6 | C7 | C8 | H7 | 4.2° | 0.0° |
| H8 | C10 | C11 | H9 | 2.5° | 0.3° |
| H13 | C25 | C24 | H14 | 0.2° | 0.0° |
| H16 | C19 | C18 | H18 | 155.3° | 36.2° |
| H17 | C19 | C18 | H18 | 33.0° | 86.0° |
| H18 | C18 | C17 | H26 | 39.3° | 35.2° |
| H18 | C18 | C17 | H27 | 161.2° | 88.0° |
| H19 | C31 | N6 | H21 | 60.2° | 60.0° |
| H19 | C31 | N6 | H22 | 59.8° | 176.1° |
| H20 | C31 | N6 | H21 | 60.2° | 60.1° |
| H20 | C31 | N6 | H22 | 179.8° | 63.9° |
| H24 | C29 | C28 | H25 | 2.6° | 0.0° |
| H26 | C17 | C16 | H28 | 96.7° | 144.2° |
| H27 | C17 | C16 | H28 | 25.3° | 20.9° |
| H29 | C | H30 | H31 | 120.0° | 120.0° |
