XRH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | C13 | sing | 1.51Å | 1.55Å | |
| C14 | N3 | sing | 1.35Å | 1.31Å | |
| C13 | O1 | sing | 1.43Å | 1.38Å | |
| O1 | C12 | sing | 1.36Å | 1.38Å | |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C31 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.36Å | |
| N2 | C9 | sing | 1.38Å | 1.37Å | |
| N2 | C | sing | 1.35Å | 1.37Å | |
| C9 | C8 | doub | 1.39Å | 1.35Å | Aromatic |
| C9 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | CL | sing | 1.74Å | 1.78Å | |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.46Å | |
| C1 | N1 | sing | 1.37Å | 1.34Å | |
| C1 | N | doub | 1.32Å | 1.32Å | |
| N1 | C3 | sing | 1.47Å | 1.44Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.33Å | 1.31Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| N3 | C15 | sing | 1.40Å | 1.36Å | |
| C15 | C30 | sing | 1.39Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.36Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.38Å | |
| N4 | C23 | sing | 1.38Å | 1.38Å | |
| N4 | C18 | sing | 1.35Å | 1.38Å | |
| C23 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.45Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | CL1 | sing | 1.74Å | 1.77Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | N6 | sing | 1.37Å | 1.34Å | |
| C19 | N5 | doub | 1.32Å | 1.33Å | |
| N6 | C21 | sing | 1.47Å | 1.48Å | |
| N6 | C20 | sing | 1.46Å | 1.46Å | |
| N5 | C18 | sing | 1.33Å | 1.33Å | |
| C18 | O2 | doub | 1.22Å | 1.26Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | 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 | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C14 | C13 | 119.9° | 120.0° |
| O3 | C14 | N3 | 119.7° | 120.0° |
| C13 | C14 | N3 | 119.6° | 120.0° |
| C14 | C13 | O1 | 102.0° | 109.4° |
| C14 | C13 | H10 | 111.3° | 109.5° |
| C14 | C13 | H11 | 111.3° | 109.4° |
| C14 | N3 | C15 | 117.8° | 120.0° |
| C14 | N3 | H12 | 121.1° | 120.0° |
| C13 | O1 | C12 | 136.0° | 116.9° |
| O1 | C13 | H10 | 111.3° | 109.5° |
| O1 | C13 | H11 | 111.3° | 109.5° |
| O1 | C12 | C11 | 123.1° | 120.0° |
| O1 | C12 | C31 | 115.2° | 120.1° |
| C11 | C12 | C31 | 121.6° | 120.0° |
| C12 | C11 | C10 | 116.5° | 119.9° |
| C12 | C11 | H9 | 121.8° | 120.1° |
| C12 | C31 | C32 | 120.7° | 120.1° |
| C12 | C31 | H26 | 119.6° | 120.0° |
| C11 | C10 | C33 | 122.9° | 119.9° |
| C11 | C10 | N2 | 118.7° | 120.0° |
| C10 | C11 | H9 | 121.7° | 120.1° |
| C31 | C32 | C33 | 117.8° | 120.1° |
| C32 | C31 | H26 | 119.6° | 119.9° |
| C31 | C32 | H27 | 121.1° | 120.0° |
| C32 | C33 | C10 | 120.4° | 120.0° |
| C33 | C32 | H27 | 121.1° | 119.9° |
| C32 | C33 | H28 | 119.8° | 120.0° |
| C33 | C10 | N2 | 118.4° | 120.1° |
| C10 | C33 | H28 | 119.8° | 120.0° |
| C10 | N2 | C9 | 121.0° | 120.0° |
| C10 | N2 | C | 116.2° | 119.9° |
| C9 | N2 | C | 122.4° | 120.2° |
| N2 | C9 | C8 | 120.3° | 121.9° |
| N2 | C9 | C4 | 119.2° | 118.5° |
| N2 | C | N | 120.2° | 122.9° |
| N2 | C | O | 117.5° | 118.6° |
| C8 | C9 | C4 | 120.5° | 119.6° |
| C9 | C8 | C7 | 119.5° | 119.5° |
| C9 | C8 | H8 | 120.3° | 120.2° |
| C9 | C4 | C5 | 119.4° | 120.0° |
| C9 | C4 | C1 | 113.3° | 118.1° |
| C8 | C7 | CL | 118.5° | 119.7° |
| C8 | C7 | C6 | 122.8° | 120.7° |
| C7 | C8 | H8 | 120.2° | 120.2° |
| CL | C7 | C6 | 118.7° | 119.7° |
| C7 | C6 | C5 | 118.6° | 120.6° |
| C7 | C6 | H7 | 120.7° | 119.7° |
| C6 | C5 | C4 | 119.2° | 119.6° |
| C5 | C6 | H7 | 120.7° | 119.7° |
| C6 | C5 | H6 | 120.4° | 120.2° |
| C5 | C4 | C1 | 127.3° | 121.9° |
| C4 | C5 | H6 | 120.4° | 120.2° |
| C4 | C1 | N1 | 121.1° | 120.8° |
| C4 | C1 | N | 123.7° | 118.5° |
| N1 | C1 | N | 115.0° | 120.8° |
| C1 | N1 | C3 | 114.6° | 120.0° |
| C1 | N1 | C2 | 122.7° | 120.0° |
| C1 | N | C | 120.6° | 121.8° |
| C3 | N1 | C2 | 121.4° | 120.0° |
| N1 | C3 | H5 | 109.5° | 109.5° |
| N1 | C3 | H3 | 109.4° | 109.4° |
| N1 | C3 | H4 | 109.5° | 109.4° |
| N1 | C2 | H2 | 109.5° | 109.4° |
| N1 | C2 | H1 | 109.4° | 109.5° |
| N1 | C2 | H | 109.5° | 109.4° |
| N | C | O | 122.1° | 118.5° |
| N3 | C15 | C30 | 111.2° | 120.0° |
| N3 | C15 | C16 | 126.3° | 120.1° |
| C15 | N3 | H12 | 121.1° | 120.0° |
| C30 | C15 | C16 | 122.5° | 119.9° |
| C15 | C30 | C29 | 119.6° | 120.0° |
| C15 | C30 | H25 | 120.2° | 120.0° |
| C15 | C16 | C17 | 117.1° | 119.9° |
| C15 | C16 | H13 | 121.4° | 120.1° |
| C30 | C29 | C28 | 118.5° | 120.2° |
| C30 | C29 | H24 | 120.8° | 119.9° |
| C29 | C30 | H25 | 120.2° | 120.0° |
| C29 | C28 | C17 | 121.8° | 120.1° |
| C28 | C29 | H24 | 120.7° | 119.9° |
| C29 | C28 | H23 | 119.1° | 120.0° |
| C28 | C17 | C16 | 120.1° | 119.9° |
| C28 | C17 | N4 | 116.6° | 120.0° |
| C17 | C28 | H23 | 119.1° | 120.0° |
| C16 | C17 | N4 | 123.2° | 120.0° |
| C17 | C16 | H13 | 121.5° | 120.1° |
| C17 | N4 | C23 | 120.0° | 119.9° |
| C17 | N4 | C18 | 117.9° | 119.9° |
| C23 | N4 | C18 | 121.8° | 120.2° |
| N4 | C23 | C24 | 120.4° | 121.9° |
| N4 | C23 | C22 | 118.6° | 118.5° |
| N4 | C18 | N5 | 120.9° | 122.9° |
| N4 | C18 | O2 | 116.2° | 118.6° |
| C24 | C23 | C22 | 121.0° | 119.6° |
| C23 | C24 | C25 | 117.9° | 119.5° |
| C23 | C24 | H20 | 121.1° | 120.2° |
| C23 | C22 | C27 | 120.1° | 120.0° |
| C23 | C22 | C19 | 115.2° | 118.1° |
| C24 | C25 | CL1 | 117.9° | 119.7° |
| C24 | C25 | C26 | 123.4° | 120.6° |
| C25 | C24 | H20 | 121.0° | 120.2° |
| CL1 | C25 | C26 | 118.5° | 119.7° |
| C25 | C26 | C27 | 120.3° | 120.6° |
| C25 | C26 | H21 | 119.9° | 119.7° |
| C26 | C27 | C22 | 117.2° | 119.5° |
| C27 | C26 | H21 | 119.8° | 119.6° |
| C26 | C27 | H22 | 121.4° | 120.2° |
| C27 | C22 | C19 | 124.7° | 121.9° |
| C22 | C27 | H22 | 121.4° | 120.2° |
| C22 | C19 | N6 | 120.2° | 120.7° |
| C22 | C19 | N5 | 121.6° | 118.5° |
| N6 | C19 | N5 | 117.4° | 120.8° |
| C19 | N6 | C21 | 124.1° | 120.0° |
| C19 | N6 | C20 | 119.2° | 120.1° |
| C19 | N5 | C18 | 121.5° | 121.9° |
| C21 | N6 | C20 | 114.5° | 120.0° |
| N6 | C21 | H19 | 109.5° | 109.5° |
| N6 | C21 | H18 | 109.5° | 109.5° |
| N6 | C21 | H17 | 109.5° | 109.5° |
| N6 | C20 | H16 | 109.5° | 109.5° |
| N6 | C20 | H14 | 109.5° | 109.5° |
| N6 | C20 | H15 | 109.5° | 109.4° |
| N5 | C18 | O2 | 122.7° | 118.6° |
| H16 | C20 | H14 | 109.5° | 109.5° |
| H16 | C20 | H15 | 109.4° | 109.4° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H19 | C21 | H18 | 109.4° | 109.5° |
| H19 | C21 | H17 | 109.5° | 109.4° |
| H18 | C21 | H17 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H5 | C3 | H3 | 109.5° | 109.5° |
| H5 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H2 | C2 | H1 | 109.5° | 109.5° |
| H2 | C2 | H | 109.5° | 109.5° |
| H1 | C2 | H | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C14 | C13 | N3 | 170.3° | 180.0° |
| O3 | C14 | C13 | O1 | 93.6° | 0.0° |
| O3 | C14 | N3 | C15 | 53.6° | 4.8° |
| O3 | C14 | C13 | H10 | 25.2° | 120.0° |
| O3 | C14 | C13 | H11 | 147.6° | 120.0° |
| O3 | C14 | N3 | H12 | 126.4° | 175.2° |
| C14 | C13 | O1 | H10 | 118.8° | 120.0° |
| C14 | C13 | O1 | H11 | 118.8° | 120.0° |
| C14 | C13 | O1 | C12 | 147.5° | 180.0° |
| C13 | C14 | N3 | C15 | 116.8° | 175.2° |
| C14 | C13 | H10 | H11 | 123.5° | 120.0° |
| C13 | C14 | N3 | H12 | 63.2° | 4.8° |
| N3 | C14 | C13 | O1 | 96.1° | 180.0° |
| C14 | N3 | C15 | H12 | 180.0° | 180.0° |
| C14 | N3 | C15 | C30 | 172.3° | 35.3° |
| C14 | N3 | C15 | C16 | 6.6° | 144.4° |
| N3 | C14 | C13 | H10 | 145.1° | 60.0° |
| N3 | C14 | C13 | H11 | 22.7° | 60.0° |
| C13 | O1 | C12 | C11 | 24.0° | 180.0° |
| C13 | O1 | C12 | C31 | 154.7° | 0.0° |
| O1 | C13 | H10 | H11 | 123.5° | 120.1° |
| O1 | C12 | C11 | C31 | 178.6° | 180.0° |
| O1 | C12 | C11 | C10 | 178.1° | 180.0° |
| O1 | C12 | C31 | C32 | 178.4° | 180.0° |
| O1 | C12 | C11 | H9 | 1.9° | 0.2° |
| O1 | C12 | C31 | H26 | 1.6° | 0.3° |
| C12 | O1 | C13 | H10 | 28.7° | 60.0° |
| C12 | O1 | C13 | H11 | 93.7° | 60.1° |
| C12 | C11 | C10 | H9 | 180.0° | 179.8° |
| C11 | C12 | C31 | C32 | 2.9° | 0.0° |
| C12 | C11 | C10 | C33 | 0.7° | 0.2° |
| C12 | C11 | C10 | N2 | 178.6° | 179.7° |
| C11 | C12 | C31 | H26 | 177.1° | 179.7° |
| C31 | C12 | C11 | C10 | 3.2° | 0.1° |
| C12 | C31 | C32 | H26 | 180.0° | 179.7° |
| C12 | C31 | C32 | C33 | 0.0° | 0.3° |
| C31 | C12 | C11 | H9 | 176.8° | 179.8° |
| C12 | C31 | C32 | H27 | 179.9° | 179.7° |
| C11 | C10 | C33 | C32 | 2.1° | 0.5° |
| C11 | C10 | C33 | N2 | 179.3° | 179.9° |
| C11 | C10 | N2 | C9 | 111.7° | 67.1° |
| C11 | C10 | N2 | C | 75.6° | 112.7° |
| C11 | C10 | C33 | H28 | 177.9° | 179.9° |
| C31 | C32 | C33 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | C10 | 2.5° | 0.6° |
| C31 | C32 | C33 | H28 | 177.5° | 180.0° |
| C32 | C33 | C10 | H28 | 180.0° | 179.4° |
| C32 | C33 | C10 | N2 | 178.5° | 179.4° |
| C33 | C32 | C31 | H26 | 180.0° | 180.0° |
| C33 | C10 | N2 | C9 | 69.0° | 112.8° |
| C33 | C10 | N2 | C | 103.7° | 67.4° |
| C33 | C10 | C11 | H9 | 179.3° | 180.0° |
| C10 | C33 | C32 | H27 | 177.5° | 179.5° |
| C10 | N2 | C9 | C | 172.3° | 179.8° |
| C10 | N2 | C9 | C8 | 3.9° | 0.1° |
| C10 | N2 | C9 | C4 | 177.5° | 180.0° |
| C10 | N2 | C | N | 177.1° | 179.7° |
| C10 | N2 | C | O | 2.2° | 0.1° |
| N2 | C10 | C11 | H9 | 1.4° | 0.1° |
| N2 | C10 | C33 | H28 | 1.5° | 0.0° |
| N2 | C9 | C8 | C4 | 178.7° | 179.9° |
| N2 | C9 | C8 | C7 | 178.9° | 180.0° |
| N2 | C9 | C4 | C5 | 177.6° | 180.0° |
| N2 | C9 | C4 | C1 | 0.7° | 0.1° |
| C9 | N2 | C | N | 10.3° | 0.5° |
| C9 | N2 | C | O | 174.8° | 179.7° |
| N2 | C9 | C8 | H8 | 1.1° | 0.1° |
| C | N2 | C9 | C8 | 176.1° | 179.7° |
| C | N2 | C9 | C4 | 5.2° | 0.2° |
| N2 | C | N | C1 | 8.8° | 0.5° |
| N2 | C | N | O | 174.7° | 179.8° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | CL | 178.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C4 | C5 | 3.8° | 0.1° |
| C8 | C9 | C4 | C1 | 178.0° | 180.0° |
| C4 | C9 | C8 | C7 | 2.5° | 0.1° |
| C9 | C4 | C5 | C6 | 2.4° | 0.0° |
| C9 | C4 | C5 | C1 | 178.0° | 179.9° |
| C9 | C4 | C1 | N1 | 172.1° | 180.0° |
| C9 | C4 | C1 | N | 2.0° | 0.1° |
| C4 | C9 | C8 | H8 | 177.5° | 180.0° |
| C9 | C4 | C5 | H6 | 177.6° | 179.9° |
| C8 | C7 | CL | C6 | 178.2° | 180.0° |
| C8 | C7 | C6 | C5 | 1.5° | 0.0° |
| C8 | C7 | C6 | H7 | 178.5° | 180.0° |
| CL | C7 | C6 | C5 | 176.6° | 179.9° |
| CL | C7 | C8 | H8 | 2.0° | 0.1° |
| CL | C7 | C6 | H7 | 3.4° | 0.0° |
| C7 | C6 | C5 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.8° | 179.9° |
| C7 | C6 | C5 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C1 | 179.6° | 180.0° |
| C5 | C4 | C1 | N1 | 9.8° | 0.1° |
| C5 | C4 | C1 | N | 176.1° | 180.0° |
| C4 | C5 | C6 | H7 | 179.9° | 180.0° |
| C4 | C1 | N1 | N | 174.6° | 179.9° |
| C4 | C1 | N1 | C3 | 167.6° | 138.3° |
| C4 | C1 | N1 | C2 | 25.2° | 41.7° |
| C4 | C1 | N | C | 2.7° | 0.2° |
| C1 | C4 | C5 | H6 | 0.4° | 0.0° |
| C1 | N1 | C3 | C2 | 167.4° | 180.0° |
| N1 | C1 | N | C | 177.2° | 179.7° |
| C1 | N1 | C3 | H5 | 180.0° | 90.0° |
| C1 | N1 | C3 | H3 | 60.0° | 150.0° |
| C1 | N1 | C3 | H4 | 60.0° | 30.0° |
| C1 | N1 | C2 | H2 | 180.0° | 27.6° |
| C1 | N1 | C2 | H1 | 60.0° | 147.6° |
| C1 | N1 | C2 | H | 60.0° | 92.3° |
| N | C1 | N1 | C3 | 17.7° | 41.8° |
| N | C1 | N1 | C2 | 149.5° | 138.2° |
| C1 | N | C | O | 176.5° | 179.7° |
| N1 | C3 | H5 | H3 | 120.0° | 120.0° |
| N1 | C3 | H5 | H4 | 120.0° | 120.0° |
| N1 | C3 | H3 | H4 | 120.0° | 119.9° |
| C3 | N1 | C2 | H2 | 13.6° | 152.3° |
| C3 | N1 | C2 | H1 | 106.4° | 32.3° |
| C3 | N1 | C2 | H | 133.6° | 87.7° |
| C2 | N1 | C3 | H5 | 12.6° | 90.0° |
| C2 | N1 | C3 | H3 | 132.6° | 30.0° |
| C2 | N1 | C3 | H4 | 107.4° | 150.0° |
| N1 | C2 | H2 | H1 | 120.0° | 120.0° |
| N1 | C2 | H2 | H | 120.0° | 119.9° |
| N1 | C2 | H1 | H | 120.0° | 120.0° |
| N3 | C15 | C30 | C16 | 178.9° | 179.7° |
| N3 | C15 | C30 | C29 | 178.0° | 179.7° |
| N3 | C15 | C16 | C17 | 178.3° | 179.7° |
| N3 | C15 | C30 | H25 | 2.0° | 0.3° |
| N3 | C15 | C16 | H13 | 1.7° | 0.3° |
| C15 | C30 | C29 | H25 | 180.0° | 180.0° |
| C15 | C30 | C29 | C28 | 3.9° | 0.0° |
| C30 | C15 | C16 | C17 | 2.9° | 0.0° |
| C15 | C30 | C29 | H24 | 176.1° | 180.0° |
| C30 | C15 | N3 | H12 | 7.7° | 144.7° |
| C30 | C15 | C16 | H13 | 177.1° | 180.0° |
| C16 | C15 | C30 | C29 | 3.1° | 0.0° |
| C15 | C16 | C17 | C28 | 3.7° | 0.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | N4 | 179.1° | 180.0° |
| C16 | C15 | C30 | H25 | 176.9° | 180.0° |
| C16 | C15 | N3 | H12 | 173.5° | 35.6° |
| C30 | C29 | C28 | H24 | 180.0° | 180.0° |
| C30 | C29 | C28 | C17 | 4.9° | 0.0° |
| C30 | C29 | C28 | H23 | 175.0° | 180.0° |
| C29 | C28 | C17 | H23 | 180.0° | 179.9° |
| C29 | C28 | C17 | C16 | 4.9° | 0.0° |
| C29 | C28 | C17 | N4 | 177.8° | 180.0° |
| C28 | C29 | C30 | H25 | 176.0° | 180.0° |
| C28 | C17 | C16 | N4 | 177.1° | 180.0° |
| C28 | C17 | N4 | C23 | 74.5° | 67.1° |
| C28 | C17 | N4 | C18 | 99.4° | 112.9° |
| C17 | C28 | C29 | H24 | 175.1° | 180.0° |
| C28 | C17 | C16 | H13 | 176.2° | 180.0° |
| C16 | C17 | N4 | C23 | 108.3° | 112.9° |
| C16 | C17 | N4 | C18 | 77.8° | 67.1° |
| C16 | C17 | C28 | H23 | 175.0° | 180.0° |
| C17 | N4 | C23 | C18 | 173.7° | 180.0° |
| C17 | N4 | C23 | C24 | 3.7° | 0.0° |
| C17 | N4 | C23 | C22 | 177.5° | 180.0° |
| C17 | N4 | C18 | N5 | 178.6° | 180.0° |
| C17 | N4 | C18 | O2 | 3.0° | 0.0° |
| N4 | C17 | C28 | H23 | 2.2° | 0.1° |
| N4 | C17 | C16 | H13 | 0.9° | 0.0° |
| N4 | C23 | C24 | C22 | 178.8° | 180.0° |
| N4 | C23 | C24 | C25 | 178.5° | 180.0° |
| N4 | C23 | C22 | C27 | 178.8° | 179.7° |
| N4 | C23 | C22 | C19 | 0.6° | 0.0° |
| C23 | N4 | C18 | N5 | 7.6° | 0.0° |
| C23 | N4 | C18 | O2 | 176.8° | 180.0° |
| N4 | C23 | C24 | H20 | 1.5° | 0.0° |
| C18 | N4 | C23 | C24 | 177.4° | 180.0° |
| C18 | N4 | C23 | C22 | 3.8° | 0.0° |
| N4 | C18 | N5 | C19 | 6.7° | 0.0° |
| N4 | C18 | N5 | O2 | 175.3° | 180.0° |
| C23 | C24 | C25 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | CL1 | 176.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.3° | 0.2° |
| C24 | C23 | C22 | C27 | 2.4° | 0.2° |
| C24 | C23 | C22 | C19 | 178.2° | 180.0° |
| C22 | C23 | C24 | C25 | 2.8° | 0.0° |
| C23 | C22 | C27 | C26 | 0.5° | 0.3° |
| C23 | C22 | C27 | C19 | 179.3° | 179.7° |
| C23 | C22 | C19 | N6 | 167.6° | 180.0° |
| C23 | C22 | C19 | N5 | 1.4° | 0.0° |
| C23 | C22 | C27 | H22 | 179.5° | 179.7° |
| C22 | C23 | C24 | H20 | 177.3° | 180.0° |
| C24 | C25 | CL1 | C26 | 174.9° | 179.8° |
| C24 | C25 | C26 | C27 | 0.5° | 0.2° |
| C24 | C25 | C26 | H21 | 179.5° | 179.8° |
| CL1 | C25 | C26 | C27 | 174.1° | 180.0° |
| CL1 | C25 | C26 | H21 | 5.9° | 0.0° |
| CL1 | C25 | C24 | H20 | 4.0° | 0.0° |
| C25 | C26 | C27 | H21 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.9° | 0.1° |
| C25 | C26 | C27 | H22 | 179.1° | 179.9° |
| C26 | C25 | C24 | H20 | 178.7° | 179.8° |
| C26 | C27 | C22 | H22 | 180.0° | 180.0° |
| C26 | C27 | C22 | C19 | 179.8° | 180.0° |
| C27 | C22 | C19 | N6 | 13.0° | 0.3° |
| C27 | C22 | C19 | N5 | 177.9° | 179.7° |
| C22 | C27 | C26 | H21 | 179.1° | 179.9° |
| C22 | C19 | N6 | N5 | 169.5° | 180.0° |
| C22 | C19 | N6 | C21 | 16.2° | 145.3° |
| C22 | C19 | N6 | C20 | 178.6° | 34.7° |
| C22 | C19 | N5 | C18 | 2.2° | 0.0° |
| C19 | C22 | C27 | H22 | 0.2° | 0.0° |
| C19 | N6 | C21 | C20 | 163.1° | 180.0° |
| N6 | C19 | N5 | C18 | 171.6° | 180.0° |
| C19 | N6 | C20 | H16 | 180.0° | 93.3° |
| C19 | N6 | C20 | H14 | 60.0° | 146.6° |
| C19 | N6 | C20 | H15 | 60.0° | 26.6° |
| C19 | N6 | C21 | H19 | 180.0° | 90.0° |
| C19 | N6 | C21 | H18 | 60.0° | 150.0° |
| C19 | N6 | C21 | H17 | 60.0° | 30.0° |
| N5 | C19 | N6 | C21 | 153.3° | 34.7° |
| N5 | C19 | N6 | C20 | 9.1° | 145.3° |
| C19 | N5 | C18 | O2 | 178.0° | 180.0° |
| C21 | N6 | C20 | H16 | 16.0° | 86.7° |
| C21 | N6 | C20 | H14 | 136.0° | 33.4° |
| C21 | N6 | C20 | H15 | 104.0° | 153.4° |
| N6 | C21 | H19 | H18 | 120.0° | 120.0° |
| N6 | C21 | H19 | H17 | 120.0° | 120.0° |
| N6 | C21 | H18 | H17 | 120.0° | 120.0° |
| N6 | C20 | H16 | H14 | 120.0° | 120.0° |
| N6 | C20 | H16 | H15 | 120.0° | 119.9° |
| N6 | C20 | H14 | H15 | 120.0° | 120.0° |
| C20 | N6 | C21 | H19 | 16.9° | 90.0° |
| C20 | N6 | C21 | H18 | 103.1° | 30.0° |
| C20 | N6 | C21 | H17 | 136.9° | 150.0° |
| H16 | C20 | H14 | H15 | 120.0° | 120.0° |
| H19 | C21 | H18 | H17 | 120.0° | 120.0° |
| H21 | C26 | C27 | H22 | 0.9° | 0.0° |
| H24 | C29 | C30 | H25 | 4.0° | 0.0° |
| H24 | C29 | C28 | H23 | 5.0° | 0.0° |
| H26 | C31 | C32 | H27 | 0.0° | 0.0° |
| H27 | C32 | C33 | H28 | 2.5° | 0.0° |
| H7 | C6 | C5 | H6 | 0.1° | 0.1° |
| H5 | C3 | H3 | H4 | 120.0° | 120.1° |
| H2 | C2 | H1 | H | 120.0° | 120.0° |
