91I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C20 | sing | 1.35Å | 1.44Å | |
| C20 | O4 | doub | 1.21Å | 1.21Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| O3 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C18 | N2 | sing | 1.46Å | 1.47Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| N2 | C1 | sing | 1.35Å | 1.32Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | C8 | sing | 1.54Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | N1 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | sing | 1.55Å | 1.50Å | |
| C22 | C25 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.48Å | 1.47Å | |
| C23 | C24 | sing | 1.55Å | 1.49Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| O5 | C25 | doub | 1.21Å | 1.23Å | |
| C25 | N4 | sing | 1.34Å | 1.30Å | |
| N4 | C24 | sing | 1.47Å | 1.46Å | |
| O2 | C9 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C20 | O4 | 118.2° | 120.0° |
| N3 | C20 | C19 | 117.4° | 120.0° |
| C20 | N3 | H1 | 120.0° | 120.0° |
| C20 | N3 | H2 | 120.0° | 120.0° |
| O4 | C20 | C19 | 124.1° | 120.0° |
| C20 | C19 | O3 | 105.3° | 109.4° |
| C20 | C19 | C18 | 109.5° | 109.5° |
| C20 | C19 | H30 | 112.0° | 109.5° |
| O3 | C19 | C18 | 105.3° | 109.5° |
| O3 | C19 | H30 | 113.0° | 109.5° |
| C19 | O3 | H31 | 109.5° | 114.0° |
| C19 | C18 | N2 | 109.9° | 109.5° |
| C19 | C18 | C21 | 112.8° | 109.5° |
| C19 | C18 | H29 | 107.4° | 109.5° |
| C18 | C19 | H30 | 111.4° | 109.4° |
| C7 | C5 | C3 | 115.9° | 117.5° |
| C7 | C5 | C4 | 118.1° | 117.4° |
| C7 | C5 | C6 | 112.0° | 115.5° |
| C5 | C7 | H7 | 109.5° | 109.4° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| N2 | C18 | C21 | 110.4° | 109.5° |
| C18 | N2 | C1 | 124.0° | 120.0° |
| C18 | N2 | H28 | 118.0° | 120.0° |
| N2 | C18 | H29 | 108.4° | 109.5° |
| C18 | C21 | C22 | 114.9° | 109.5° |
| C18 | C21 | H17 | 108.1° | 109.4° |
| C18 | C21 | H18 | 108.1° | 109.5° |
| C21 | C18 | H29 | 107.6° | 109.4° |
| C5 | C3 | C4 | 60.0° | 59.7° |
| C5 | C3 | C2 | 118.5° | 118.1° |
| C3 | C5 | C4 | 59.9° | 60.7° |
| C3 | C5 | C6 | 120.9° | 117.2° |
| C5 | C3 | H23 | 118.6° | 119.5° |
| C4 | C3 | C2 | 107.7° | 104.9° |
| C3 | C4 | C5 | 60.1° | 59.5° |
| C3 | C4 | C8 | 108.4° | 104.9° |
| C3 | C4 | H3 | 117.8° | 121.8° |
| C4 | C3 | H23 | 118.7° | 121.8° |
| C3 | C2 | C1 | 110.9° | 110.4° |
| C3 | C2 | N1 | 105.2° | 104.6° |
| C3 | C2 | H22 | 110.3° | 110.6° |
| C2 | C3 | H23 | 118.6° | 118.3° |
| C4 | C5 | C6 | 120.9° | 117.4° |
| C5 | C4 | C8 | 120.5° | 118.1° |
| C5 | C4 | H3 | 117.8° | 120.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.4° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| N2 | C1 | O1 | 121.1° | 120.0° |
| N2 | C1 | C2 | 114.7° | 120.0° |
| C1 | N2 | H28 | 118.0° | 120.0° |
| C21 | C22 | C23 | 115.8° | 110.5° |
| C21 | C22 | C25 | 113.3° | 110.5° |
| C22 | C21 | H17 | 108.1° | 109.5° |
| C22 | C21 | H18 | 108.1° | 109.5° |
| C21 | C22 | H19 | 108.0° | 110.4° |
| C4 | C8 | N1 | 104.3° | 104.6° |
| C8 | C4 | H3 | 117.8° | 117.6° |
| C4 | C8 | H10 | 110.7° | 110.4° |
| C4 | C8 | H11 | 110.7° | 110.4° |
| O1 | C1 | C2 | 124.2° | 120.0° |
| C1 | C2 | N1 | 109.3° | 110.4° |
| C1 | C2 | H22 | 110.1° | 110.4° |
| C2 | N1 | C8 | 113.0° | 104.3° |
| C2 | N1 | C9 | 118.9° | 127.8° |
| N1 | C2 | H22 | 111.0° | 110.4° |
| C23 | C22 | C25 | 102.9° | 104.2° |
| C22 | C23 | C24 | 104.3° | 101.7° |
| C23 | C22 | H19 | 108.3° | 110.5° |
| C22 | C23 | H32 | 110.7° | 111.0° |
| C22 | C23 | H33 | 110.7° | 111.0° |
| C22 | C25 | O5 | 125.8° | 124.9° |
| C22 | C25 | N4 | 109.1° | 110.1° |
| C25 | C22 | H19 | 108.2° | 110.6° |
| C8 | N1 | C9 | 127.9° | 127.9° |
| N1 | C8 | H10 | 110.7° | 110.4° |
| N1 | C8 | H11 | 110.7° | 110.4° |
| C23 | C24 | N4 | 102.4° | 105.5° |
| C23 | C24 | H20 | 111.2° | 110.2° |
| C23 | C24 | H21 | 111.2° | 110.2° |
| C24 | C23 | H32 | 110.7° | 111.0° |
| C24 | C23 | H33 | 110.7° | 111.0° |
| N1 | C9 | O2 | 119.9° | 120.0° |
| N1 | C9 | C10 | 117.1° | 120.0° |
| O5 | C25 | N4 | 125.1° | 125.0° |
| C25 | N4 | C24 | 112.4° | 111.3° |
| C25 | N4 | H34 | 123.8° | 124.3° |
| N4 | C24 | H20 | 111.2° | 110.3° |
| N4 | C24 | H21 | 111.2° | 110.4° |
| C24 | N4 | H34 | 123.8° | 124.4° |
| O2 | C9 | C10 | 122.9° | 120.0° |
| C9 | C10 | C11 | 109.1° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 109.6° | 109.4° |
| C10 | C11 | C12 | 116.2° | 109.5° |
| C11 | C10 | H12 | 109.6° | 109.5° |
| C11 | C10 | H13 | 109.5° | 109.5° |
| C10 | C11 | H24 | 107.8° | 109.5° |
| C10 | C11 | H25 | 107.8° | 109.5° |
| C11 | C12 | C17 | 122.3° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.0° |
| C12 | C11 | H24 | 107.8° | 109.5° |
| C12 | C11 | H25 | 107.8° | 109.5° |
| C17 | C12 | C13 | 118.6° | 120.0° |
| C12 | C17 | C16 | 120.7° | 120.0° |
| C12 | C17 | H16 | 119.7° | 120.1° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C12 | C13 | H14 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C16 | C17 | H16 | 119.7° | 119.9° |
| C17 | C16 | H27 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | H14 | 120.0° | 120.1° |
| C13 | C14 | H26 | 119.6° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H27 | 120.1° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C15 | C14 | H26 | 119.6° | 120.0° |
| H1 | N3 | H2 | 120.0° | 119.9° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.4° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 110.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 110.2° |
| H24 | C11 | H25 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C20 | O4 | C19 | 172.9° | 179.9° |
| N3 | C20 | C19 | O3 | 6.7° | 162.9° |
| N3 | C20 | C19 | C18 | 119.4° | 77.1° |
| C20 | N3 | H1 | H2 | 180.0° | 179.9° |
| N3 | C20 | C19 | H30 | 116.5° | 42.9° |
| O4 | C20 | C19 | O3 | 179.7° | 17.1° |
| O4 | C20 | C19 | C18 | 67.6° | 102.8° |
| O4 | C20 | N3 | H1 | 0.0° | 4.5° |
| O4 | C20 | N3 | H2 | 180.0° | 175.6° |
| O4 | C20 | C19 | H30 | 56.5° | 137.2° |
| C20 | C19 | O3 | C18 | 115.7° | 120.0° |
| C20 | C19 | O3 | H30 | 122.5° | 120.0° |
| C20 | C19 | C18 | H30 | 124.4° | 120.0° |
| C20 | C19 | C18 | N2 | 164.7° | 177.2° |
| C20 | C19 | C18 | C21 | 71.6° | 62.8° |
| C19 | C20 | N3 | H1 | 173.4° | 175.6° |
| C19 | C20 | N3 | H2 | 6.6° | 4.4° |
| C20 | C19 | C18 | H29 | 46.9° | 57.2° |
| C20 | C19 | O3 | H31 | 180.0° | 180.0° |
| O3 | C19 | C18 | H30 | 122.8° | 120.0° |
| O3 | C19 | C18 | N2 | 51.9° | 57.2° |
| O3 | C19 | C18 | C21 | 175.7° | 177.3° |
| O3 | C19 | C18 | H29 | 65.9° | 62.8° |
| C19 | C18 | N2 | C21 | 125.1° | 120.0° |
| C19 | C18 | N2 | H29 | 117.2° | 120.0° |
| C19 | C18 | C21 | H29 | 118.3° | 120.0° |
| C19 | C18 | N2 | C1 | 113.2° | 91.8° |
| C19 | C18 | C21 | C22 | 174.2° | 177.8° |
| C19 | C18 | C21 | H17 | 65.0° | 57.8° |
| C19 | C18 | C21 | H18 | 53.4° | 62.2° |
| C19 | C18 | N2 | H28 | 66.8° | 88.2° |
| C18 | C19 | O3 | H31 | 64.3° | 60.0° |
| C7 | C5 | C3 | C4 | 108.8° | 107.7° |
| C7 | C5 | C3 | C6 | 140.9° | 144.5° |
| C7 | C5 | C3 | C2 | 156.2° | 160.9° |
| C7 | C5 | C4 | C6 | 144.5° | 144.7° |
| C7 | C5 | C4 | C8 | 159.9° | 160.8° |
| C7 | C5 | C4 | H3 | 2.5° | 3.5° |
| C7 | C5 | C6 | H4 | 180.0° | 34.0° |
| C7 | C5 | C6 | H5 | 60.0° | 86.0° |
| C7 | C5 | C6 | H6 | 60.0° | 154.0° |
| C5 | C7 | H7 | H8 | 120.0° | 119.9° |
| C5 | C7 | H7 | H9 | 120.0° | 120.0° |
| C5 | C7 | H8 | H9 | 120.0° | 120.1° |
| C7 | C5 | C3 | H23 | 0.4° | 4.1° |
| N2 | C18 | C21 | H29 | 118.2° | 120.0° |
| C18 | N2 | C1 | H28 | 180.0° | 180.0° |
| N2 | C18 | C21 | C22 | 62.3° | 62.2° |
| C18 | N2 | C1 | O1 | 12.8° | 0.1° |
| C18 | N2 | C1 | C2 | 166.4° | 180.0° |
| N2 | C18 | C21 | H17 | 58.5° | 177.8° |
| N2 | C18 | C21 | H18 | 176.9° | 57.8° |
| N2 | C18 | C19 | H30 | 70.9° | 62.8° |
| C21 | C18 | N2 | C1 | 121.7° | 148.2° |
| C18 | C21 | C22 | H17 | 120.8° | 120.0° |
| C18 | C21 | C22 | H18 | 120.8° | 120.0° |
| C18 | C21 | C22 | C23 | 68.8° | 64.2° |
| C18 | C21 | C22 | C25 | 172.6° | 179.0° |
| C18 | C21 | H17 | H18 | 117.5° | 120.0° |
| C18 | C21 | C22 | H19 | 52.8° | 58.3° |
| C21 | C18 | N2 | H28 | 58.3° | 31.8° |
| C21 | C18 | C19 | H30 | 52.9° | 57.3° |
| C5 | C3 | C4 | C2 | 113.2° | 114.1° |
| C5 | C3 | C4 | H23 | 108.4° | 108.0° |
| C5 | C3 | C2 | H23 | 156.6° | 157.1° |
| C3 | C5 | C4 | C6 | 110.2° | 107.5° |
| C5 | C3 | C4 | C8 | 115.2° | 114.2° |
| C5 | C3 | C2 | C1 | 177.5° | 158.0° |
| C5 | C3 | C2 | N1 | 59.5° | 39.3° |
| C5 | C3 | C4 | H3 | 107.8° | 109.1° |
| C3 | C5 | C6 | H4 | 37.7° | 179.3° |
| C3 | C5 | C6 | H5 | 157.7° | 59.2° |
| C3 | C5 | C6 | H6 | 82.4° | 60.8° |
| C3 | C5 | C7 | H7 | 180.0° | 60.8° |
| C3 | C5 | C7 | H8 | 60.0° | 59.1° |
| C3 | C5 | C7 | H9 | 60.0° | 179.2° |
| C5 | C3 | C2 | H22 | 60.2° | 79.5° |
| C4 | C3 | C2 | H23 | 138.4° | 139.6° |
| C3 | C4 | C8 | H3 | 137.1° | 138.9° |
| C4 | C3 | C2 | C1 | 112.6° | 94.8° |
| C4 | C3 | C2 | N1 | 5.5° | 24.0° |
| C3 | C4 | C8 | N1 | 8.5° | 24.0° |
| C3 | C4 | C8 | H10 | 110.7° | 142.8° |
| C3 | C4 | C8 | H11 | 127.6° | 94.8° |
| C4 | C3 | C2 | H22 | 125.2° | 142.8° |
| C2 | C3 | C5 | C6 | 15.2° | 16.4° |
| C3 | C2 | C1 | N2 | 104.4° | 83.4° |
| C2 | C3 | C4 | C8 | 2.0° | 0.0° |
| C3 | C2 | C1 | O1 | 74.8° | 96.6° |
| C3 | C2 | C1 | N1 | 115.5° | 115.2° |
| C3 | C2 | C1 | H22 | 122.3° | 122.6° |
| C3 | C2 | N1 | H22 | 119.2° | 119.0° |
| C3 | C2 | N1 | C8 | 11.5° | 39.9° |
| C3 | C2 | N1 | C9 | 173.2° | 140.4° |
| C2 | C3 | C4 | H3 | 139.0° | 136.8° |
| C5 | C4 | C8 | H3 | 157.4° | 158.0° |
| C5 | C4 | C8 | N1 | 57.1° | 39.0° |
| C4 | C5 | C6 | H4 | 33.5° | 111.4° |
| C4 | C5 | C6 | H5 | 86.5° | 128.6° |
| C4 | C5 | C6 | H6 | 153.6° | 8.6° |
| C4 | C5 | C7 | H7 | 111.9° | 8.7° |
| C4 | C5 | C7 | H8 | 8.1° | 128.6° |
| C4 | C5 | C7 | H9 | 128.1° | 111.4° |
| C5 | C4 | C8 | H10 | 176.2° | 79.7° |
| C5 | C4 | C8 | H11 | 62.1° | 157.9° |
| C6 | C5 | C4 | C8 | 15.4° | 16.1° |
| C6 | C5 | C4 | H3 | 142.0° | 141.2° |
| C5 | C6 | H4 | H5 | 120.0° | 120.1° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C6 | C5 | C7 | H7 | 35.7° | 154.0° |
| C6 | C5 | C7 | H8 | 155.6° | 86.0° |
| C6 | C5 | C7 | H9 | 84.4° | 34.0° |
| C6 | C5 | C3 | H23 | 141.3° | 140.5° |
| N2 | C1 | O1 | C2 | 179.1° | 180.0° |
| N2 | C1 | C2 | N1 | 140.2° | 161.4° |
| N2 | C1 | C2 | H22 | 17.9° | 39.2° |
| C1 | N2 | C18 | H29 | 3.9° | 28.2° |
| C21 | C22 | C23 | C25 | 124.2° | 118.7° |
| C21 | C22 | C23 | H19 | 121.5° | 122.5° |
| C21 | C22 | C25 | H19 | 119.7° | 122.6° |
| C21 | C22 | C23 | C24 | 148.7° | 143.5° |
| C21 | C22 | C25 | O5 | 43.5° | 45.1° |
| C21 | C22 | C25 | N4 | 135.9° | 134.9° |
| C22 | C21 | H17 | H18 | 117.5° | 120.0° |
| C22 | C21 | C18 | H29 | 55.9° | 57.9° |
| C21 | C22 | C23 | H32 | 29.5° | 25.4° |
| C21 | C22 | C23 | H33 | 92.1° | 98.4° |
| C4 | C8 | N1 | C2 | 12.6° | 39.9° |
| C4 | C8 | N1 | H10 | 119.2° | 118.7° |
| C4 | C8 | N1 | H11 | 119.2° | 118.8° |
| C4 | C8 | N1 | C9 | 172.6° | 140.4° |
| C4 | C8 | H10 | H11 | 122.4° | 122.4° |
| C8 | C4 | C3 | H23 | 136.4° | 137.8° |
| O1 | C1 | C2 | N1 | 40.7° | 18.5° |
| O1 | C1 | C2 | H22 | 162.9° | 140.8° |
| O1 | C1 | N2 | H28 | 167.2° | 180.0° |
| C1 | C2 | N1 | H22 | 121.7° | 122.3° |
| C1 | C2 | N1 | C8 | 107.6° | 78.9° |
| C1 | C2 | N1 | C9 | 67.7° | 100.8° |
| C1 | C2 | C3 | H23 | 25.9° | 44.8° |
| C2 | C1 | N2 | H28 | 13.6° | 0.0° |
| C2 | N1 | C8 | C9 | 174.8° | 179.7° |
| C2 | N1 | C9 | O2 | 5.6° | 0.3° |
| C2 | N1 | C9 | C10 | 174.5° | 179.7° |
| C2 | N1 | C8 | H10 | 106.6° | 158.6° |
| C2 | N1 | C8 | H11 | 131.8° | 78.9° |
| N1 | C2 | C3 | H23 | 143.9° | 163.6° |
| C23 | C22 | C25 | H19 | 114.5° | 118.7° |
| C22 | C23 | C24 | H32 | 119.2° | 118.1° |
| C22 | C23 | C24 | H33 | 119.2° | 118.1° |
| C23 | C22 | C25 | O5 | 169.3° | 163.7° |
| C23 | C22 | C25 | N4 | 10.1° | 16.3° |
| C22 | C23 | C24 | N4 | 29.5° | 25.4° |
| C23 | C22 | C21 | H17 | 170.4° | 55.8° |
| C23 | C22 | C21 | H18 | 52.0° | 175.8° |
| C22 | C23 | C24 | H20 | 148.4° | 144.5° |
| C22 | C23 | C24 | H21 | 89.3° | 93.7° |
| C22 | C23 | H32 | H33 | 122.4° | 123.8° |
| C25 | C22 | C23 | C24 | 24.6° | 24.8° |
| C22 | C25 | O5 | N4 | 179.3° | 180.0° |
| C22 | C25 | N4 | C24 | 9.4° | 0.4° |
| C25 | C22 | C21 | H17 | 51.8° | 59.0° |
| C25 | C22 | C21 | H18 | 66.6° | 61.0° |
| C25 | C22 | C23 | H32 | 94.6° | 93.3° |
| C25 | C22 | C23 | H33 | 143.7° | 143.0° |
| C22 | C25 | N4 | H34 | 170.6° | 179.6° |
| C8 | N1 | C9 | O2 | 169.0° | 179.9° |
| C8 | N1 | C9 | C10 | 11.0° | 0.0° |
| N1 | C8 | C4 | H3 | 145.5° | 163.0° |
| N1 | C8 | H10 | H11 | 122.4° | 122.4° |
| C8 | N1 | C2 | H22 | 130.7° | 158.8° |
| C23 | C24 | N4 | C25 | 25.0° | 17.0° |
| C23 | C24 | N4 | H20 | 118.8° | 119.0° |
| C23 | C24 | N4 | H21 | 118.9° | 119.0° |
| C24 | C23 | C22 | H19 | 89.8° | 94.0° |
| C23 | C24 | H20 | H21 | 123.3° | 121.8° |
| C24 | C23 | H32 | H33 | 122.4° | 123.9° |
| C23 | C24 | N4 | H34 | 155.0° | 163.0° |
| N1 | C9 | O2 | C10 | 179.9° | 180.0° |
| N1 | C9 | C10 | C11 | 98.1° | 180.0° |
| C9 | N1 | C8 | H10 | 68.3° | 21.7° |
| C9 | N1 | C8 | H11 | 53.4° | 100.8° |
| N1 | C9 | C10 | H12 | 142.0° | 60.0° |
| N1 | C9 | C10 | H13 | 21.9° | 60.0° |
| C9 | N1 | C2 | H22 | 53.9° | 21.5° |
| O5 | C25 | N4 | C24 | 171.3° | 179.6° |
| O5 | C25 | C22 | H19 | 76.3° | 77.5° |
| O5 | C25 | N4 | H34 | 8.7° | 0.4° |
| C25 | N4 | C24 | H34 | 180.0° | 180.0° |
| N4 | C25 | C22 | H19 | 104.4° | 102.5° |
| C25 | N4 | C24 | H20 | 143.8° | 136.0° |
| C25 | N4 | C24 | H21 | 93.9° | 102.0° |
| N4 | C24 | H20 | H21 | 123.3° | 122.1° |
| N4 | C24 | C23 | H32 | 89.7° | 92.7° |
| N4 | C24 | C23 | H33 | 148.7° | 143.5° |
| O2 | C9 | C10 | C11 | 82.0° | 0.1° |
| O2 | C9 | C10 | H12 | 37.9° | 120.0° |
| O2 | C9 | C10 | H13 | 158.0° | 120.0° |
| C9 | C10 | C11 | H12 | 119.9° | 120.0° |
| C9 | C10 | C11 | H13 | 120.0° | 119.9° |
| C9 | C10 | C11 | C12 | 169.6° | 180.0° |
| C9 | C10 | H12 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | H24 | 48.6° | 60.0° |
| C9 | C10 | C11 | H25 | 69.5° | 60.0° |
| C10 | C11 | C12 | H24 | 121.0° | 120.0° |
| C10 | C11 | C12 | H25 | 121.0° | 120.0° |
| C10 | C11 | C12 | C17 | 0.2° | 90.0° |
| C10 | C11 | C12 | C13 | 179.1° | 90.0° |
| C11 | C10 | H12 | H13 | 120.2° | 120.0° |
| C10 | C11 | H24 | H25 | 117.0° | 120.0° |
| C11 | C12 | C17 | C13 | 178.9° | 180.0° |
| C11 | C12 | C17 | C16 | 179.2° | 179.4° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C12 | C11 | C10 | H12 | 70.5° | 60.0° |
| C12 | C11 | C10 | H13 | 49.6° | 60.0° |
| C11 | C12 | C13 | H14 | 1.5° | 0.3° |
| C11 | C12 | C17 | H16 | 0.8° | 0.3° |
| C12 | C11 | H24 | H25 | 116.9° | 120.0° |
| C12 | C17 | C16 | H16 | 180.0° | 179.1° |
| C17 | C12 | C13 | C14 | 2.6° | 0.0° |
| C12 | C17 | C16 | C15 | 1.7° | 0.9° |
| C17 | C12 | C13 | H14 | 177.4° | 179.7° |
| C17 | C12 | C11 | H24 | 120.8° | 30.0° |
| C17 | C12 | C11 | H25 | 121.2° | 150.0° |
| C12 | C17 | C16 | H27 | 178.2° | 179.2° |
| C13 | C12 | C17 | C16 | 0.4° | 0.6° |
| C12 | C13 | C14 | H14 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 2.8° | 0.2° |
| C13 | C12 | C17 | H16 | 179.6° | 179.7° |
| C13 | C12 | C11 | H24 | 58.1° | 150.0° |
| C13 | C12 | C11 | H25 | 60.0° | 30.1° |
| C12 | C13 | C14 | H26 | 177.2° | 179.7° |
| C17 | C16 | C15 | H27 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.5° | 0.6° |
| C17 | C16 | C15 | H15 | 178.4° | 179.4° |
| C13 | C14 | C15 | C16 | 0.7° | 0.1° |
| C13 | C14 | C15 | H26 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.3° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | H16 | 178.3° | 180.0° |
| C16 | C15 | C14 | H26 | 179.3° | 180.0° |
| C15 | C14 | C13 | H14 | 177.1° | 180.0° |
| C14 | C15 | C16 | H27 | 178.4° | 179.4° |
| H3 | C4 | C8 | H10 | 26.4° | 78.3° |
| H3 | C4 | C8 | H11 | 95.3° | 44.2° |
| H3 | C4 | C3 | H23 | 0.6° | 1.0° |
| H4 | C6 | H5 | H6 | 120.0° | 119.9° |
| H7 | C7 | H8 | H9 | 120.0° | 120.0° |
| H12 | C10 | C11 | H24 | 168.5° | 180.0° |
| H12 | C10 | C11 | H25 | 50.4° | 60.0° |
| H13 | C10 | C11 | H24 | 71.4° | 60.0° |
| H13 | C10 | C11 | H25 | 170.5° | 180.0° |
| H14 | C13 | C14 | H26 | 2.8° | 0.1° |
| H15 | C15 | C14 | H26 | 0.7° | 0.1° |
| H15 | C15 | C16 | H27 | 1.6° | 0.5° |
| H16 | C17 | C16 | H27 | 1.8° | 0.0° |
| H17 | C21 | C22 | H19 | 68.0° | 178.3° |
| H17 | C21 | C18 | H29 | 176.7° | 62.2° |
| H18 | C21 | C22 | H19 | 173.6° | 61.7° |
| H18 | C21 | C18 | H29 | 64.9° | 177.8° |
| H19 | C22 | C23 | H32 | 151.0° | 147.9° |
| H19 | C22 | C23 | H33 | 29.3° | 24.1° |
| H20 | C24 | C23 | H32 | 29.2° | 26.3° |
| H20 | C24 | C23 | H33 | 92.5° | 97.4° |
| H20 | C24 | N4 | H34 | 36.2° | 44.0° |
| H21 | C24 | C23 | H32 | 151.5° | 148.2° |
| H21 | C24 | C23 | H33 | 29.8° | 24.4° |
| H21 | C24 | N4 | H34 | 86.1° | 78.0° |
| H22 | C2 | C3 | H23 | 96.3° | 77.6° |
| H28 | N2 | C18 | H29 | 176.0° | 151.8° |
| H29 | C18 | C19 | H30 | 171.3° | 177.2° |
| H30 | C19 | O3 | H31 | 57.5° | 60.0° |
