JEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O1 | sing | 1.45Å | 1.41Å | |
| C10 | C7 | sing | 1.54Å | 1.55Å | |
| C14 | N1 | sing | 1.47Å | 1.49Å | |
| C5 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O1 | C11 | sing | 1.44Å | 1.40Å | |
| C9 | N3 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| N3 | C4 | sing | 1.37Å | 1.39Å | |
| C6 | C7 | sing | 1.52Å | 1.57Å | |
| C7 | C8 | sing | 1.52Å | 1.58Å | |
| C7 | C12 | sing | 1.54Å | 1.55Å | |
| N1 | C4 | sing | 1.37Å | 1.46Å | |
| N1 | C3 | sing | 1.35Å | 1.37Å | |
| C4 | N2 | doub | 1.31Å | 1.31Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C12 | N4 | sing | 1.47Å | 1.49Å | |
| O2 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.46Å | 1.49Å | |
| N2 | C1 | sing | 1.36Å | 1.38Å | |
| CL1 | C17 | sing | 1.74Å | 1.73Å | |
| C2 | C1 | sing | 1.47Å | 1.40Å | Aromatic |
| C2 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | N6 | doub | 1.31Å | 1.29Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| N8 | C21 | sing | 1.46Å | 1.47Å | |
| N8 | C18 | sing | 1.39Å | 1.41Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| N6 | N5 | sing | 1.40Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.46Å | |
| C15 | N5 | sing | 1.35Å | 1.37Å | Aromatic |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C18 | N7 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| N7 | C19 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 1.01Å | 1.00Å | |
| N4 | H27 | sing | 1.01Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C10 | C7 | 106.2° | 103.4° |
| C10 | O1 | C11 | 107.4° | 107.1° |
| O1 | C10 | H16 | 110.3° | 110.6° |
| O1 | C10 | H17 | 110.3° | 110.6° |
| C10 | C7 | C6 | 107.8° | 110.4° |
| C10 | C7 | C8 | 111.4° | 110.5° |
| C10 | C7 | C12 | 101.1° | 102.9° |
| C7 | C10 | H16 | 110.3° | 110.7° |
| C7 | C10 | H17 | 110.3° | 110.6° |
| C14 | N1 | C4 | 122.6° | 119.4° |
| C14 | N1 | C3 | 116.8° | 119.4° |
| N1 | C14 | H6 | 109.5° | 109.5° |
| N1 | C14 | H7 | 109.5° | 109.5° |
| N1 | C14 | H8 | 109.5° | 109.5° |
| N3 | C5 | C6 | 107.6° | 108.7° |
| C5 | N3 | C9 | 114.6° | 118.9° |
| C5 | N3 | C4 | 122.8° | 120.5° |
| N3 | C5 | H18 | 109.9° | 109.6° |
| N3 | C5 | H19 | 109.9° | 109.6° |
| C5 | C6 | C7 | 113.3° | 109.4° |
| C6 | C5 | H18 | 109.9° | 109.6° |
| C6 | C5 | H19 | 109.9° | 109.6° |
| C5 | C6 | H20 | 108.5° | 109.5° |
| C5 | C6 | H21 | 108.5° | 109.4° |
| O1 | C11 | C13 | 107.3° | 109.8° |
| O1 | C11 | C12 | 99.7° | 107.3° |
| O1 | C11 | H1 | 111.3° | 109.9° |
| N3 | C9 | C8 | 107.9° | 108.6° |
| C9 | N3 | C4 | 121.2° | 120.6° |
| N3 | C9 | H24 | 109.8° | 109.6° |
| N3 | C9 | H25 | 109.8° | 109.6° |
| C9 | C8 | C7 | 114.6° | 109.5° |
| C9 | C8 | H22 | 108.2° | 109.5° |
| C9 | C8 | H23 | 108.2° | 109.5° |
| C8 | C9 | H24 | 109.8° | 109.6° |
| C8 | C9 | H25 | 109.9° | 109.6° |
| N3 | C4 | N1 | 120.4° | 118.0° |
| N3 | C4 | N2 | 115.1° | 118.1° |
| C6 | C7 | C8 | 111.9° | 111.4° |
| C6 | C7 | C12 | 113.9° | 110.6° |
| C7 | C6 | H20 | 108.5° | 109.5° |
| C7 | C6 | H21 | 108.5° | 109.5° |
| C8 | C7 | C12 | 110.3° | 110.6° |
| C7 | C8 | H22 | 108.2° | 109.4° |
| C7 | C8 | H23 | 108.2° | 109.5° |
| C7 | C12 | C11 | 102.6° | 104.0° |
| C7 | C12 | N4 | 114.1° | 110.5° |
| C7 | C12 | H2 | 108.4° | 110.7° |
| C4 | N1 | C3 | 120.5° | 121.2° |
| N1 | C4 | N2 | 123.8° | 123.9° |
| N1 | C3 | O2 | 125.0° | 121.2° |
| N1 | C3 | C2 | 114.8° | 117.5° |
| C4 | N2 | C1 | 117.9° | 121.4° |
| C13 | C11 | C12 | 119.6° | 109.9° |
| C13 | C11 | H1 | 109.4° | 109.9° |
| C11 | C13 | H3 | 109.5° | 109.4° |
| C11 | C13 | H4 | 109.5° | 109.4° |
| C11 | C13 | H5 | 109.5° | 109.5° |
| C11 | C12 | N4 | 113.6° | 110.5° |
| C12 | C11 | H1 | 109.2° | 110.1° |
| C11 | C12 | H2 | 108.5° | 110.5° |
| N4 | C12 | H2 | 109.2° | 110.5° |
| C12 | N4 | H26 | 109.5° | 111.0° |
| C12 | N4 | H27 | 109.5° | 111.0° |
| O2 | C3 | C2 | 120.2° | 121.3° |
| C3 | C2 | C1 | 120.3° | 117.8° |
| C3 | C2 | C15 | 133.0° | 135.5° |
| N2 | C1 | C2 | 122.1° | 118.2° |
| N2 | C1 | N6 | 123.6° | 134.9° |
| CL1 | C17 | C18 | 119.0° | 120.6° |
| CL1 | C17 | C16 | 122.2° | 120.5° |
| C1 | C2 | C15 | 106.7° | 106.7° |
| C2 | C1 | N6 | 113.6° | 106.9° |
| C2 | C15 | C16 | 134.5° | 126.3° |
| C2 | C15 | N5 | 102.3° | 107.4° |
| C1 | N6 | N5 | 101.5° | 109.4° |
| C23 | C22 | C21 | 60.1° | 60.0° |
| C22 | C23 | C21 | 59.8° | 60.0° |
| C23 | C22 | H12 | 120.0° | 117.6° |
| C23 | C22 | H13 | 120.0° | 117.5° |
| C22 | C23 | H14 | 120.0° | 117.6° |
| C22 | C23 | H15 | 120.1° | 117.5° |
| C22 | C21 | N8 | 119.9° | 117.5° |
| C22 | C21 | C23 | 60.1° | 60.0° |
| C22 | C21 | H11 | 115.0° | 117.5° |
| C21 | C22 | H12 | 120.0° | 117.5° |
| C21 | C22 | H13 | 120.0° | 117.5° |
| C21 | N8 | C18 | 122.7° | 120.0° |
| N8 | C21 | C23 | 119.6° | 117.5° |
| N8 | C21 | H11 | 115.8° | 115.6° |
| C21 | N8 | H30 | 106.1° | 120.0° |
| N8 | C18 | C17 | 118.6° | 119.6° |
| N8 | C18 | N7 | 119.5° | 119.6° |
| C18 | N8 | H30 | 106.1° | 120.0° |
| C18 | C17 | C16 | 118.8° | 118.9° |
| C17 | C18 | N7 | 121.9° | 120.8° |
| C17 | C16 | C15 | 123.0° | 120.9° |
| C17 | C16 | C20 | 118.4° | 118.2° |
| N6 | N5 | C15 | 115.8° | 109.7° |
| N6 | N5 | H29 | 122.1° | 125.1° |
| C16 | C15 | N5 | 123.1° | 126.3° |
| C15 | C16 | C20 | 118.6° | 120.9° |
| C15 | N5 | H29 | 122.1° | 125.2° |
| C23 | C21 | H11 | 115.0° | 117.4° |
| C21 | C23 | H14 | 120.0° | 117.5° |
| C21 | C23 | H15 | 120.0° | 117.5° |
| C18 | N7 | C19 | 119.2° | 122.0° |
| C16 | C20 | C19 | 118.9° | 119.2° |
| C16 | C20 | H10 | 120.5° | 120.4° |
| N7 | C19 | C20 | 122.7° | 121.0° |
| N7 | C19 | H9 | 118.7° | 119.5° |
| C20 | C19 | H9 | 118.7° | 119.5° |
| C19 | C20 | H10 | 120.5° | 120.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 115.5° |
| H14 | C23 | H15 | 109.5° | 115.5° |
| H16 | C10 | H17 | 109.5° | 110.7° |
| H18 | C5 | H19 | 109.4° | 109.7° |
| H20 | C6 | H21 | 109.5° | 109.5° |
| H22 | C8 | H23 | 109.5° | 109.4° |
| H24 | C9 | H25 | 109.5° | 109.7° |
| H26 | N4 | H27 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C10 | C7 | H16 | 119.5° | 118.5° |
| O1 | C10 | C7 | H17 | 119.5° | 118.4° |
| O1 | C10 | C7 | C6 | 114.9° | 81.9° |
| O1 | C10 | C7 | C8 | 121.9° | 154.3° |
| O1 | C10 | C7 | C12 | 4.8° | 36.2° |
| C10 | O1 | C11 | C13 | 173.5° | 145.7° |
| C10 | O1 | C11 | C12 | 48.2° | 26.3° |
| C10 | O1 | C11 | H1 | 66.9° | 93.4° |
| O1 | C10 | H16 | H17 | 121.5° | 122.9° |
| C10 | C7 | C6 | C5 | 80.4° | 63.8° |
| C7 | C10 | O1 | C11 | 34.3° | 39.2° |
| C10 | C7 | C8 | C9 | 80.7° | 63.7° |
| C10 | C7 | C6 | C8 | 122.8° | 123.2° |
| C10 | C7 | C6 | C12 | 111.3° | 113.3° |
| C10 | C7 | C8 | C12 | 111.4° | 113.3° |
| C10 | C7 | C12 | C11 | 22.6° | 20.2° |
| C10 | C7 | C12 | N4 | 100.8° | 138.9° |
| C10 | C7 | C12 | H2 | 137.2° | 98.4° |
| C7 | C10 | H16 | H17 | 121.5° | 123.0° |
| C10 | C7 | C6 | H20 | 40.1° | 56.2° |
| C10 | C7 | C6 | H21 | 159.0° | 176.3° |
| C10 | C7 | C8 | H22 | 158.6° | 56.3° |
| C10 | C7 | C8 | H23 | 40.1° | 176.2° |
| C14 | N1 | C4 | N3 | 13.4° | 0.2° |
| C14 | N1 | C4 | C3 | 176.2° | 179.9° |
| C14 | N1 | C4 | N2 | 176.7° | 179.8° |
| C14 | N1 | C3 | O2 | 5.8° | 0.1° |
| C14 | N1 | C3 | C2 | 173.0° | 180.0° |
| N1 | C14 | H6 | H7 | 120.0° | 120.0° |
| N1 | C14 | H6 | H8 | 120.0° | 120.0° |
| N1 | C14 | H7 | H8 | 120.0° | 120.0° |
| N3 | C5 | C6 | H18 | 119.7° | 119.8° |
| N3 | C5 | C6 | H19 | 119.7° | 119.7° |
| C5 | N3 | C9 | C4 | 166.6° | 180.0° |
| C5 | N3 | C9 | C8 | 64.5° | 54.3° |
| N3 | C5 | C6 | C7 | 53.8° | 53.3° |
| C5 | N3 | C4 | N1 | 35.3° | 139.6° |
| C5 | N3 | C4 | N2 | 135.5° | 40.8° |
| N3 | C5 | H18 | H19 | 120.9° | 120.4° |
| N3 | C5 | C6 | H20 | 174.4° | 173.4° |
| N3 | C5 | C6 | H21 | 66.8° | 66.6° |
| C5 | N3 | C9 | H24 | 175.8° | 65.4° |
| C5 | N3 | C9 | H25 | 55.3° | 174.1° |
| C6 | C5 | N3 | C9 | 67.5° | 54.3° |
| C6 | C5 | N3 | C4 | 98.9° | 125.7° |
| C5 | C6 | C7 | H20 | 120.6° | 120.0° |
| C5 | C6 | C7 | H21 | 120.6° | 119.9° |
| C5 | C6 | C7 | C8 | 42.4° | 59.4° |
| C5 | C6 | C7 | C12 | 168.3° | 177.1° |
| C6 | C5 | H18 | H19 | 120.9° | 120.4° |
| C5 | C6 | H20 | H21 | 118.2° | 120.0° |
| O1 | C11 | C12 | C7 | 42.8° | 2.4° |
| O1 | C11 | C13 | C12 | 112.3° | 117.8° |
| O1 | C11 | C13 | H1 | 120.8° | 121.0° |
| O1 | C11 | C12 | H1 | 116.7° | 119.5° |
| O1 | C11 | C12 | N4 | 80.9° | 116.2° |
| O1 | C11 | C12 | H2 | 157.4° | 121.2° |
| O1 | C11 | C13 | H3 | 180.0° | 58.5° |
| O1 | C11 | C13 | H4 | 60.0° | 178.5° |
| O1 | C11 | C13 | H5 | 60.0° | 61.4° |
| C11 | O1 | C10 | H16 | 153.8° | 157.8° |
| C11 | O1 | C10 | H17 | 85.1° | 79.2° |
| N3 | C9 | C8 | H24 | 119.7° | 119.7° |
| N3 | C9 | C8 | H25 | 119.8° | 119.8° |
| N3 | C9 | C8 | C7 | 48.8° | 53.4° |
| C9 | N3 | C4 | N1 | 159.2° | 40.4° |
| C9 | N3 | C4 | N2 | 30.0° | 139.1° |
| C9 | N3 | C5 | H18 | 52.3° | 174.1° |
| C9 | N3 | C5 | H19 | 172.8° | 65.5° |
| N3 | C9 | C8 | H22 | 72.0° | 173.3° |
| N3 | C9 | C8 | H23 | 169.5° | 66.7° |
| N3 | C9 | H24 | H25 | 120.7° | 120.4° |
| C8 | C9 | N3 | C4 | 102.1° | 125.6° |
| C9 | C8 | C7 | C6 | 40.1° | 59.5° |
| C9 | C8 | C7 | H22 | 120.8° | 120.0° |
| C9 | C8 | C7 | H23 | 120.8° | 120.1° |
| C9 | C8 | C7 | C12 | 167.9° | 177.0° |
| C9 | C8 | H22 | H23 | 117.7° | 120.1° |
| C8 | C9 | H24 | H25 | 120.7° | 120.4° |
| N3 | C4 | N1 | N2 | 169.9° | 179.5° |
| N3 | C4 | N1 | C3 | 170.4° | 179.7° |
| N3 | C4 | N2 | C1 | 176.8° | 180.0° |
| C4 | N3 | C5 | H18 | 141.4° | 5.9° |
| C4 | N3 | C5 | H19 | 20.8° | 114.6° |
| C4 | N3 | C9 | H24 | 17.6° | 114.6° |
| C4 | N3 | C9 | H25 | 138.1° | 5.9° |
| C6 | C7 | C8 | C12 | 127.8° | 123.5° |
| C6 | C7 | C12 | C11 | 137.8° | 97.7° |
| C6 | C7 | C12 | N4 | 14.4° | 20.9° |
| C6 | C7 | C12 | H2 | 107.6° | 143.6° |
| C6 | C7 | C10 | H16 | 4.5° | 36.6° |
| C6 | C7 | C10 | H17 | 125.6° | 159.7° |
| C7 | C6 | C5 | H18 | 65.9° | 173.1° |
| C7 | C6 | C5 | H19 | 173.5° | 66.4° |
| C7 | C6 | H20 | H21 | 118.3° | 120.0° |
| C6 | C7 | C8 | H22 | 80.7° | 179.4° |
| C6 | C7 | C8 | H23 | 160.8° | 60.6° |
| C8 | C7 | C12 | C11 | 95.4° | 138.3° |
| C8 | C7 | C12 | N4 | 141.2° | 103.1° |
| C8 | C7 | C12 | H2 | 19.2° | 19.6° |
| C8 | C7 | C10 | H16 | 118.6° | 87.1° |
| C8 | C7 | C10 | H17 | 2.4° | 35.9° |
| C8 | C7 | C6 | H20 | 163.0° | 179.4° |
| C8 | C7 | C6 | H21 | 78.1° | 60.5° |
| C7 | C8 | H22 | H23 | 117.7° | 120.0° |
| C7 | C8 | C9 | H24 | 168.5° | 66.3° |
| C7 | C8 | C9 | H25 | 71.0° | 173.2° |
| C7 | C12 | C11 | C13 | 159.1° | 121.8° |
| C7 | C12 | C11 | N4 | 123.7° | 118.6° |
| C7 | C12 | C11 | H2 | 114.6° | 118.8° |
| C7 | C12 | N4 | H2 | 121.6° | 122.8° |
| C7 | C12 | C11 | H1 | 74.0° | 117.1° |
| C12 | C7 | C10 | H16 | 124.3° | 154.7° |
| C12 | C7 | C10 | H17 | 114.7° | 82.2° |
| C12 | C7 | C6 | H20 | 71.1° | 57.0° |
| C12 | C7 | C6 | H21 | 47.8° | 63.0° |
| C12 | C7 | C8 | H22 | 47.1° | 57.1° |
| C12 | C7 | C8 | H23 | 71.4° | 62.9° |
| C7 | C12 | N4 | H26 | 180.0° | 176.0° |
| C7 | C12 | N4 | H27 | 60.0° | 52.1° |
| C4 | N1 | C3 | O2 | 177.8° | 180.0° |
| C4 | N1 | C3 | C2 | 3.4° | 0.1° |
| N1 | C4 | N2 | C1 | 6.4° | 0.5° |
| C4 | N1 | C14 | H6 | 180.0° | 88.1° |
| C4 | N1 | C14 | H7 | 60.0° | 151.9° |
| C4 | N1 | C14 | H8 | 60.0° | 31.9° |
| C3 | N1 | C4 | N2 | 0.5° | 0.2° |
| N1 | C3 | O2 | C2 | 178.7° | 179.9° |
| N1 | C3 | C2 | C1 | 1.6° | 0.1° |
| N1 | C3 | C2 | C15 | 179.0° | 180.0° |
| C3 | N1 | C14 | H6 | 3.7° | 91.9° |
| C3 | N1 | C14 | H7 | 123.7° | 28.2° |
| C3 | N1 | C14 | H8 | 116.3° | 148.1° |
| C4 | N2 | C1 | C2 | 8.3° | 0.5° |
| C4 | N2 | C1 | N6 | 178.0° | 179.9° |
| C13 | C11 | C12 | H1 | 126.9° | 121.1° |
| C13 | C11 | C12 | N4 | 35.4° | 3.2° |
| C13 | C11 | C12 | H2 | 86.3° | 119.4° |
| C11 | C13 | H3 | H4 | 120.0° | 120.0° |
| C11 | C13 | H3 | H5 | 120.0° | 120.0° |
| C11 | C13 | H4 | H5 | 120.0° | 120.0° |
| C11 | C12 | N4 | H2 | 121.2° | 122.6° |
| C12 | C11 | C13 | H3 | 67.7° | 59.3° |
| C12 | C11 | C13 | H4 | 172.3° | 60.7° |
| C12 | C11 | C13 | H5 | 52.3° | 179.3° |
| C11 | C12 | N4 | H26 | 62.8° | 61.4° |
| C11 | C12 | N4 | H27 | 57.2° | 62.5° |
| N4 | C12 | C11 | H1 | 162.3° | 124.3° |
| C12 | N4 | H26 | H27 | 120.0° | 124.0° |
| O2 | C3 | C2 | C1 | 179.6° | 180.0° |
| O2 | C3 | C2 | C15 | 2.1° | 0.1° |
| C3 | C2 | C1 | N2 | 4.3° | 0.2° |
| C3 | C2 | C1 | C15 | 178.0° | 180.0° |
| C3 | C2 | C1 | N6 | 175.0° | 180.0° |
| C3 | C2 | C15 | C16 | 6.0° | 0.0° |
| C3 | C2 | C15 | N5 | 176.1° | 180.0° |
| N2 | C1 | C2 | N6 | 170.7° | 179.7° |
| N2 | C1 | C2 | C15 | 173.7° | 179.7° |
| N2 | C1 | N6 | N5 | 173.4° | 179.7° |
| CL1 | C17 | C18 | N8 | 1.8° | 0.0° |
| CL1 | C17 | C18 | C16 | 178.5° | 180.0° |
| CL1 | C17 | C16 | C15 | 3.0° | 0.1° |
| CL1 | C17 | C18 | N7 | 178.3° | 180.0° |
| CL1 | C17 | C16 | C20 | 175.8° | 179.7° |
| C2 | C1 | N6 | N5 | 2.9° | 0.0° |
| C1 | C2 | C15 | C16 | 176.3° | 180.0° |
| C1 | C2 | C15 | N5 | 1.6° | 0.0° |
| C15 | C2 | C1 | N6 | 3.1° | 0.0° |
| C2 | C15 | C16 | C17 | 53.8° | 65.3° |
| C2 | C15 | N5 | N6 | 0.2° | 0.0° |
| C2 | C15 | C16 | N5 | 177.5° | 180.0° |
| C2 | C15 | C16 | C20 | 127.4° | 115.0° |
| C2 | C15 | N5 | H29 | 179.8° | 179.9° |
| C1 | N6 | N5 | C15 | 1.9° | 0.0° |
| C1 | N6 | N5 | H29 | 178.1° | 179.9° |
| C23 | C22 | C21 | H12 | 109.5° | 107.6° |
| C23 | C22 | C21 | H13 | 109.5° | 107.5° |
| C22 | C23 | C21 | N8 | 109.5° | 107.5° |
| C22 | C23 | C21 | H14 | 109.4° | 107.6° |
| C22 | C23 | C21 | H15 | 109.4° | 107.5° |
| C23 | C22 | C21 | H11 | 105.6° | 107.4° |
| C23 | C22 | H12 | H13 | 144.7° | 145.7° |
| C22 | C23 | H14 | H15 | 144.9° | 145.7° |
| C22 | C21 | N8 | H11 | 145.0° | 145.7° |
| C22 | C21 | N8 | C18 | 151.8° | 155.1° |
| C21 | C22 | H12 | H13 | 144.7° | 145.6° |
| C22 | C21 | N8 | H30 | 86.4° | 24.9° |
| C21 | N8 | C18 | H30 | 121.8° | 180.0° |
| C21 | N8 | C18 | C17 | 177.2° | 180.0° |
| N8 | C21 | C23 | H11 | 144.8° | 145.1° |
| C21 | N8 | C18 | N7 | 2.7° | 0.1° |
| N8 | C21 | C22 | H12 | 141.4° | 0.1° |
| N8 | C21 | C22 | H13 | 0.4° | 145.0° |
| N8 | C21 | C23 | H14 | 0.1° | 145.0° |
| N8 | C21 | C23 | H15 | 141.0° | 0.0° |
| N8 | C18 | C17 | N7 | 179.9° | 180.0° |
| N8 | C18 | C17 | C16 | 179.8° | 180.0° |
| C18 | N8 | C21 | C23 | 81.3° | 136.3° |
| N8 | C18 | N7 | C19 | 179.5° | 179.7° |
| C18 | N8 | C21 | H11 | 63.2° | 9.4° |
| C18 | C17 | C16 | C15 | 178.6° | 179.9° |
| C18 | C17 | C16 | C20 | 2.6° | 0.3° |
| C17 | C18 | N7 | C19 | 0.6° | 0.4° |
| C17 | C18 | N8 | H30 | 61.0° | 0.0° |
| C17 | C16 | C15 | C20 | 178.8° | 179.6° |
| C17 | C16 | C15 | N5 | 123.7° | 114.7° |
| C16 | C17 | C18 | N7 | 0.2° | 0.0° |
| C17 | C16 | C20 | C19 | 4.3° | 0.3° |
| C17 | C16 | C20 | H10 | 175.7° | 179.7° |
| N6 | N5 | C15 | C16 | 178.4° | 180.0° |
| N6 | N5 | C15 | H29 | 180.0° | 179.9° |
| C15 | C16 | C20 | C19 | 176.9° | 180.0° |
| C15 | C16 | C20 | H10 | 3.1° | 0.1° |
| C16 | C15 | N5 | H29 | 1.7° | 0.1° |
| N5 | C15 | C16 | C20 | 55.1° | 65.0° |
| C21 | C23 | H14 | H15 | 144.8° | 145.6° |
| C23 | C21 | N8 | H30 | 156.9° | 43.7° |
| C18 | N7 | C19 | C20 | 1.2° | 0.3° |
| C18 | N7 | C19 | H9 | 178.8° | 179.7° |
| N7 | C18 | N8 | H30 | 119.1° | 180.0° |
| C16 | C20 | C19 | N7 | 3.7° | 0.0° |
| C16 | C20 | C19 | H10 | 180.0° | 179.9° |
| C16 | C20 | C19 | H9 | 176.3° | 179.9° |
| N7 | C19 | C20 | H9 | 180.0° | 180.0° |
| N7 | C19 | C20 | H10 | 176.3° | 180.0° |
| H1 | C11 | C12 | H2 | 40.7° | 1.7° |
| H1 | C11 | C13 | H3 | 59.2° | 179.5° |
| H1 | C11 | C13 | H4 | 60.9° | 60.5° |
| H1 | C11 | C13 | H5 | 179.2° | 59.5° |
| H2 | C12 | N4 | H26 | 58.5° | 61.2° |
| H2 | C12 | N4 | H27 | 178.4° | 174.9° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | C20 | H10 | 3.7° | 0.0° |
| H11 | C21 | C22 | H12 | 3.9° | 145.0° |
| H11 | C21 | C22 | H13 | 144.9° | 0.1° |
| H11 | C21 | C23 | H14 | 144.9° | 0.1° |
| H11 | C21 | C23 | H15 | 3.7° | 145.0° |
| H11 | C21 | N8 | H30 | 58.6° | 170.6° |
| H12 | C22 | C23 | H14 | 141.1° | 145.0° |
| H12 | C22 | C23 | H15 | 0.1° | 0.0° |
| H13 | C22 | C23 | H14 | 0.1° | 0.0° |
| H13 | C22 | C23 | H15 | 141.1° | 145.0° |
| H18 | C5 | C6 | H20 | 54.6° | 66.9° |
| H18 | C5 | C6 | H21 | 173.5° | 53.1° |
| H19 | C5 | C6 | H20 | 65.9° | 53.6° |
| H19 | C5 | C6 | H21 | 52.9° | 173.6° |
| H22 | C8 | C9 | H24 | 47.8° | 53.6° |
| H22 | C8 | C9 | H25 | 168.3° | 66.9° |
| H23 | C8 | C9 | H24 | 70.7° | 173.6° |
| H23 | C8 | C9 | H25 | 49.8° | 53.1° |
