355
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | doub | 1.35Å | 1.42Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | doub | 1.36Å | 1.40Å | |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | |
| N1 | C7 | sing | 1.32Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C8 | N2 | sing | 1.47Å | 1.52Å | |
| N2 | C9 | sing | 1.34Å | 1.38Å | |
| C9 | O1 | doub | 1.22Å | 1.26Å | |
| C9 | N3 | sing | 1.34Å | 1.38Å | |
| N3 | C10 | sing | 1.46Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C11 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | O2 | doub | 1.21Å | 1.26Å | |
| C17 | N4 | sing | 1.35Å | 1.36Å | |
| N4 | C18 | sing | 1.47Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| N3 | C25 | sing | 1.35Å | 1.37Å | |
| C25 | O3 | doub | 1.22Å | 1.26Å | |
| C25 | C26 | sing | 1.47Å | 1.41Å | |
| C26 | C27 | doub | 1.41Å | 1.42Å | Aromatic |
| N2 | C27 | sing | 1.39Å | 1.42Å | |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | C32 | doub | 1.38Å | 1.40Å | |
| C32 | C33 | sing | 1.40Å | 1.41Å | |
| C33 | O4 | doub | 1.22Å | 1.25Å | |
| C33 | N5 | sing | 1.35Å | 1.39Å | |
| C2 | N5 | sing | 1.36Å | 1.39Å | |
| C6 | N5 | sing | 1.37Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 116.2° | 119.6° |
| C1 | C2 | N5 | 124.1° | 119.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C3 | C4 | 120.5° | 120.2° |
| C3 | C2 | N5 | 119.7° | 120.7° |
| C2 | C3 | H4 | 119.7° | 119.9° |
| C3 | C4 | C5 | 119.7° | 119.5° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C3 | C4 | H5 | 120.2° | 120.2° |
| C4 | C5 | C6 | 118.8° | 119.5° |
| C5 | C4 | H5 | 120.2° | 120.3° |
| C4 | C5 | H6 | 120.6° | 120.2° |
| C5 | C6 | N1 | 116.0° | 119.5° |
| C5 | C6 | N5 | 122.3° | 119.6° |
| C6 | C5 | H6 | 120.6° | 120.3° |
| C6 | N1 | C7 | 123.2° | 121.4° |
| N1 | C6 | N5 | 121.6° | 120.8° |
| N1 | C7 | C8 | 118.2° | 120.0° |
| N1 | C7 | C32 | 118.1° | 120.0° |
| C7 | C8 | N2 | 109.2° | 109.5° |
| C8 | C7 | C32 | 123.7° | 120.0° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C8 | N2 | C9 | 117.0° | 119.7° |
| C8 | N2 | C27 | 126.5° | 119.7° |
| N2 | C8 | H7 | 109.6° | 109.5° |
| N2 | C8 | H8 | 109.5° | 109.5° |
| N2 | C9 | O1 | 119.3° | 118.6° |
| N2 | C9 | N3 | 123.5° | 122.8° |
| C9 | N2 | C27 | 116.5° | 120.6° |
| O1 | C9 | N3 | 117.2° | 118.6° |
| C9 | N3 | C10 | 120.8° | 119.4° |
| C9 | N3 | C25 | 119.3° | 121.3° |
| N3 | C10 | C11 | 111.5° | 109.5° |
| C10 | N3 | C25 | 119.8° | 119.3° |
| N3 | C10 | H9 | 108.9° | 109.5° |
| N3 | C10 | H10 | 108.9° | 109.4° |
| C10 | C11 | C12 | 111.4° | 109.5° |
| C10 | C11 | C16 | 111.8° | 109.4° |
| C11 | C10 | H9 | 109.0° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C10 | C11 | H11 | 107.5° | 109.5° |
| C11 | C12 | C13 | 113.2° | 109.5° |
| C12 | C11 | C16 | 111.0° | 109.5° |
| C12 | C11 | H11 | 107.5° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 108.5° | 109.5° |
| C12 | C13 | C14 | 112.0° | 109.4° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.5° |
| C12 | C13 | H14 | 108.8° | 109.5° |
| C12 | C13 | H15 | 108.8° | 109.5° |
| C13 | C14 | C15 | 110.0° | 109.5° |
| C13 | C14 | C17 | 110.6° | 109.4° |
| C14 | C13 | H14 | 108.8° | 109.5° |
| C14 | C13 | H15 | 108.8° | 109.5° |
| C13 | C14 | H16 | 107.4° | 109.5° |
| C14 | C15 | C16 | 111.8° | 109.5° |
| C15 | C14 | C17 | 113.1° | 109.5° |
| C15 | C14 | H16 | 107.3° | 109.5° |
| C14 | C15 | H17 | 108.9° | 109.5° |
| C14 | C15 | H18 | 108.9° | 109.5° |
| C15 | C16 | C11 | 112.7° | 109.4° |
| C16 | C15 | H17 | 108.9° | 109.5° |
| C16 | C15 | H18 | 108.9° | 109.4° |
| C15 | C16 | H19 | 108.6° | 109.5° |
| C15 | C16 | H20 | 108.7° | 109.4° |
| C16 | C11 | H11 | 107.5° | 109.5° |
| C11 | C16 | H19 | 108.7° | 109.5° |
| C11 | C16 | H20 | 108.7° | 109.5° |
| C14 | C17 | O2 | 118.9° | 120.0° |
| C14 | C17 | N4 | 120.6° | 120.0° |
| C17 | C14 | H16 | 108.2° | 109.5° |
| O2 | C17 | N4 | 120.5° | 120.0° |
| C17 | N4 | C18 | 125.0° | 120.0° |
| C17 | N4 | H21 | 117.5° | 120.1° |
| N4 | C18 | C19 | 110.0° | 109.5° |
| C18 | N4 | H21 | 117.5° | 119.9° |
| N4 | C18 | H22 | 109.4° | 109.5° |
| N4 | C18 | H23 | 109.3° | 109.4° |
| C18 | C19 | C20 | 121.0° | 120.0° |
| C18 | C19 | C24 | 120.4° | 120.0° |
| C19 | C18 | H22 | 109.3° | 109.5° |
| C19 | C18 | H23 | 109.3° | 109.4° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C20 | C19 | C24 | 118.7° | 120.0° |
| C19 | C20 | H24 | 119.8° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C21 | C20 | H24 | 119.7° | 120.0° |
| C20 | C21 | H25 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | H25 | 119.9° | 120.0° |
| C21 | C22 | H26 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | H26 | 120.1° | 120.0° |
| C22 | C23 | H27 | 120.0° | 120.0° |
| C23 | C24 | C19 | 120.7° | 120.0° |
| C24 | C23 | H27 | 120.0° | 120.0° |
| C23 | C24 | H28 | 119.7° | 120.0° |
| C19 | C24 | H28 | 119.6° | 120.0° |
| N3 | C25 | O3 | 121.0° | 120.9° |
| N3 | C25 | C26 | 121.2° | 118.3° |
| O3 | C25 | C26 | 117.8° | 120.8° |
| C25 | C26 | C27 | 117.7° | 118.2° |
| C25 | C26 | C31 | 122.0° | 121.8° |
| C26 | C27 | N2 | 121.5° | 118.7° |
| C26 | C27 | C28 | 117.3° | 119.7° |
| C27 | C26 | C31 | 120.3° | 120.0° |
| N2 | C27 | C28 | 121.1° | 121.6° |
| C27 | C28 | C29 | 122.0° | 119.8° |
| C27 | C28 | H29 | 119.0° | 120.1° |
| C28 | C29 | C30 | 119.8° | 120.6° |
| C29 | C28 | H29 | 119.0° | 120.1° |
| C28 | C29 | H30 | 120.1° | 119.7° |
| C29 | C30 | C31 | 119.7° | 120.4° |
| C30 | C29 | H30 | 120.1° | 119.6° |
| C29 | C30 | H31 | 120.2° | 119.8° |
| C30 | C31 | C26 | 120.7° | 119.5° |
| C31 | C30 | H31 | 120.1° | 119.8° |
| C30 | C31 | H32 | 119.6° | 120.2° |
| C26 | C31 | H32 | 119.6° | 120.2° |
| C7 | C32 | C33 | 118.5° | 118.9° |
| C7 | C32 | H33 | 120.7° | 120.5° |
| C32 | C33 | O4 | 114.1° | 120.5° |
| C32 | C33 | N5 | 122.2° | 119.0° |
| C33 | C32 | H33 | 120.7° | 120.5° |
| O4 | C33 | N5 | 123.8° | 120.5° |
| C33 | N5 | C2 | 124.7° | 119.7° |
| C33 | N5 | C6 | 116.4° | 119.9° |
| C2 | N5 | C6 | 118.9° | 120.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N5 | 179.5° | 179.7° |
| C1 | C2 | C3 | C4 | 178.4° | 180.0° |
| C1 | C2 | N5 | C33 | 1.9° | 0.5° |
| C1 | C2 | N5 | C6 | 177.9° | 179.8° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 1.6° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | N5 | C33 | 178.6° | 179.9° |
| C3 | C2 | N5 | C6 | 1.7° | 0.6° |
| C3 | C2 | C1 | H1 | 180.0° | 0.1° |
| C3 | C2 | C1 | H2 | 60.0° | 120.1° |
| C3 | C2 | C1 | H3 | 60.0° | 120.0° |
| C2 | C3 | C4 | H5 | 179.9° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | N5 | 1.1° | 0.4° |
| C3 | C4 | C5 | H6 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 179.3° | 180.0° |
| C4 | C5 | C6 | N5 | 0.3° | 0.2° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C5 | C6 | N1 | N5 | 179.6° | 179.8° |
| C5 | C6 | N1 | C7 | 179.7° | 180.0° |
| C5 | C6 | N5 | C33 | 179.0° | 179.8° |
| C5 | C6 | N5 | C2 | 1.2° | 0.5° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| C6 | N1 | C7 | C8 | 178.2° | 180.0° |
| C6 | N1 | C7 | C32 | 1.1° | 0.0° |
| N1 | C6 | N5 | C33 | 1.4° | 0.4° |
| N1 | C6 | N5 | C2 | 178.4° | 179.7° |
| N1 | C6 | C5 | H6 | 0.6° | 0.0° |
| N1 | C7 | C8 | C32 | 179.3° | 180.0° |
| N1 | C7 | C8 | N2 | 65.1° | 65.0° |
| N1 | C7 | C32 | C33 | 2.1° | 0.1° |
| C7 | N1 | C6 | N5 | 0.7° | 0.2° |
| N1 | C7 | C8 | H7 | 174.9° | 55.0° |
| N1 | C7 | C8 | H8 | 54.9° | 175.0° |
| N1 | C7 | C32 | H33 | 177.9° | 179.9° |
| C7 | C8 | N2 | H7 | 120.0° | 120.1° |
| C7 | C8 | N2 | H8 | 120.0° | 120.0° |
| C7 | C8 | N2 | C9 | 95.9° | 90.0° |
| C7 | C8 | N2 | C27 | 83.3° | 90.2° |
| C8 | C7 | C32 | C33 | 177.2° | 180.0° |
| C7 | C8 | H7 | H8 | 120.1° | 120.0° |
| C8 | C7 | C32 | H33 | 2.9° | 0.1° |
| C8 | N2 | C9 | C27 | 179.2° | 179.8° |
| C8 | N2 | C9 | O1 | 3.5° | 0.0° |
| C8 | N2 | C9 | N3 | 176.0° | 180.0° |
| C8 | N2 | C27 | C26 | 177.3° | 179.8° |
| C8 | N2 | C27 | C28 | 2.7° | 0.1° |
| N2 | C8 | C7 | C32 | 114.1° | 115.0° |
| N2 | C8 | H7 | H8 | 120.1° | 120.0° |
| N2 | C9 | O1 | N3 | 179.5° | 180.0° |
| N2 | C9 | N3 | C10 | 176.8° | 180.0° |
| N2 | C9 | N3 | C25 | 0.3° | 0.1° |
| C9 | N2 | C27 | C26 | 1.8° | 0.4° |
| C9 | N2 | C27 | C28 | 178.1° | 179.7° |
| C9 | N2 | C8 | H7 | 144.1° | 30.1° |
| C9 | N2 | C8 | H8 | 24.1° | 150.0° |
| O1 | C9 | N3 | C10 | 3.7° | 0.0° |
| O1 | C9 | N3 | C25 | 179.2° | 180.0° |
| O1 | C9 | N2 | C27 | 177.3° | 179.7° |
| C9 | N3 | C10 | C25 | 177.0° | 179.9° |
| C9 | N3 | C10 | C11 | 80.5° | 90.0° |
| C9 | N3 | C25 | O3 | 176.6° | 180.0° |
| C9 | N3 | C25 | C26 | 5.3° | 0.1° |
| N3 | C9 | N2 | C27 | 3.2° | 0.2° |
| C9 | N3 | C10 | H9 | 39.8° | 149.9° |
| C9 | N3 | C10 | H10 | 159.2° | 30.0° |
| N3 | C10 | C11 | H9 | 120.3° | 120.0° |
| N3 | C10 | C11 | H10 | 120.3° | 120.0° |
| N3 | C10 | C11 | C12 | 59.0° | 175.0° |
| N3 | C10 | C11 | C16 | 176.2° | 65.0° |
| C10 | N3 | C25 | O3 | 6.4° | 0.1° |
| C10 | N3 | C25 | C26 | 171.7° | 180.0° |
| N3 | C10 | H9 | H10 | 119.0° | 120.0° |
| N3 | C10 | C11 | H11 | 58.5° | 55.0° |
| C10 | C11 | C12 | C16 | 125.3° | 120.0° |
| C10 | C11 | C12 | H11 | 117.5° | 120.0° |
| C10 | C11 | C12 | C13 | 175.9° | 180.0° |
| C10 | C11 | C16 | C15 | 176.0° | 180.0° |
| C10 | C11 | C16 | H11 | 117.7° | 120.0° |
| C11 | C10 | N3 | C25 | 96.5° | 90.1° |
| C11 | C10 | H9 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | H12 | 55.3° | 59.9° |
| C10 | C11 | C12 | H13 | 63.5° | 60.0° |
| C10 | C11 | C16 | H19 | 55.5° | 60.0° |
| C10 | C11 | C16 | H20 | 63.6° | 60.0° |
| C11 | C12 | C13 | H12 | 120.6° | 120.1° |
| C11 | C12 | C13 | H13 | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 54.1° | 60.0° |
| C12 | C11 | C16 | C15 | 50.9° | 60.0° |
| C12 | C11 | C16 | H11 | 117.2° | 120.0° |
| C12 | C11 | C10 | H9 | 179.3° | 65.0° |
| C12 | C11 | C10 | H10 | 61.3° | 55.0° |
| C11 | C12 | H12 | H13 | 118.3° | 120.0° |
| C11 | C12 | C13 | H14 | 174.4° | 180.0° |
| C11 | C12 | C13 | H15 | 66.3° | 60.0° |
| C12 | C11 | C16 | H19 | 69.6° | 180.0° |
| C12 | C11 | C16 | H20 | 171.4° | 60.0° |
| C12 | C13 | C14 | H14 | 120.4° | 120.0° |
| C12 | C13 | C14 | H15 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 55.9° | 60.0° |
| C13 | C12 | C11 | C16 | 50.6° | 60.0° |
| C12 | C13 | C14 | C17 | 178.4° | 180.0° |
| C13 | C12 | C11 | H11 | 66.6° | 60.0° |
| C13 | C12 | H12 | H13 | 118.3° | 120.0° |
| C12 | C13 | H14 | H15 | 118.9° | 120.0° |
| C12 | C13 | C14 | H16 | 60.6° | 60.0° |
| C13 | C14 | C15 | C17 | 124.2° | 120.0° |
| C13 | C14 | C15 | H16 | 116.5° | 120.0° |
| C13 | C14 | C15 | C16 | 56.3° | 60.0° |
| C13 | C14 | C17 | H16 | 117.4° | 120.0° |
| C13 | C14 | C17 | O2 | 118.2° | 0.0° |
| C13 | C14 | C17 | N4 | 60.2° | 180.0° |
| C14 | C13 | C12 | H12 | 66.5° | 60.0° |
| C14 | C13 | C12 | H13 | 174.6° | 180.0° |
| C14 | C13 | H14 | H15 | 118.8° | 120.0° |
| C13 | C14 | C15 | H17 | 176.6° | 180.0° |
| C13 | C14 | C15 | H18 | 64.1° | 60.0° |
| C14 | C15 | C16 | H17 | 120.3° | 120.1° |
| C14 | C15 | C16 | H18 | 120.4° | 120.0° |
| C14 | C15 | C16 | C11 | 54.8° | 60.0° |
| C15 | C14 | C17 | H16 | 118.7° | 120.0° |
| C15 | C14 | C17 | O2 | 117.9° | 120.0° |
| C15 | C14 | C17 | N4 | 63.7° | 60.0° |
| C15 | C14 | C13 | H14 | 176.3° | 180.0° |
| C15 | C14 | C13 | H15 | 64.5° | 60.0° |
| C14 | C15 | H17 | H18 | 119.0° | 120.0° |
| C14 | C15 | C16 | H19 | 65.7° | 180.0° |
| C14 | C15 | C16 | H20 | 175.3° | 60.0° |
| C15 | C16 | C11 | H19 | 120.5° | 120.0° |
| C15 | C16 | C11 | H20 | 120.5° | 119.9° |
| C16 | C15 | C14 | C17 | 179.5° | 180.0° |
| C15 | C16 | C11 | H11 | 66.4° | 60.1° |
| C16 | C15 | C14 | H16 | 60.2° | 60.0° |
| C16 | C15 | H17 | H18 | 118.9° | 119.9° |
| C15 | C16 | H19 | H20 | 118.5° | 120.0° |
| C16 | C11 | C10 | H9 | 55.9° | 55.0° |
| C16 | C11 | C10 | H10 | 63.6° | 175.0° |
| C16 | C11 | C12 | H12 | 70.0° | 60.0° |
| C16 | C11 | C12 | H13 | 171.2° | 180.0° |
| C11 | C16 | C15 | H17 | 175.2° | 180.0° |
| C11 | C16 | C15 | H18 | 65.5° | 60.0° |
| C11 | C16 | H19 | H20 | 118.5° | 120.0° |
| C14 | C17 | O2 | N4 | 178.4° | 180.0° |
| C14 | C17 | N4 | C18 | 174.4° | 180.0° |
| C17 | C14 | C13 | H14 | 58.1° | 60.0° |
| C17 | C14 | C13 | H15 | 61.2° | 60.0° |
| C17 | C14 | C15 | H17 | 59.1° | 60.0° |
| C17 | C14 | C15 | H18 | 60.2° | 60.0° |
| C14 | C17 | N4 | H21 | 5.6° | 0.0° |
| O2 | C17 | N4 | C18 | 4.0° | 0.0° |
| O2 | C17 | C14 | H16 | 0.9° | 120.0° |
| O2 | C17 | N4 | H21 | 176.0° | 180.0° |
| C17 | N4 | C18 | H21 | 180.0° | 180.0° |
| C17 | N4 | C18 | C19 | 165.0° | 180.0° |
| N4 | C17 | C14 | H16 | 177.5° | 60.0° |
| C17 | N4 | C18 | H22 | 44.9° | 60.0° |
| C17 | N4 | C18 | H23 | 75.0° | 60.0° |
| N4 | C18 | C19 | H22 | 120.1° | 120.0° |
| N4 | C18 | C19 | H23 | 120.1° | 120.0° |
| N4 | C18 | C19 | C20 | 88.0° | 90.0° |
| N4 | C18 | C19 | C24 | 92.3° | 90.3° |
| N4 | C18 | H22 | H23 | 119.8° | 120.0° |
| C18 | C19 | C20 | C24 | 179.8° | 179.7° |
| C18 | C19 | C20 | C21 | 177.3° | 180.0° |
| C18 | C19 | C24 | C23 | 177.3° | 179.8° |
| C19 | C18 | N4 | H21 | 15.1° | 0.0° |
| C19 | C18 | H22 | H23 | 119.7° | 120.0° |
| C18 | C19 | C20 | H24 | 2.7° | 0.0° |
| C18 | C19 | C24 | H28 | 2.7° | 0.0° |
| C19 | C20 | C21 | H24 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C19 | C24 | C23 | 2.5° | 0.5° |
| C20 | C19 | C18 | H22 | 151.9° | 30.0° |
| C20 | C19 | C18 | H23 | 32.1° | 150.0° |
| C19 | C20 | C21 | H25 | 179.6° | 180.0° |
| C20 | C19 | C24 | H28 | 177.5° | 179.7° |
| C20 | C21 | C22 | H25 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.5° | 0.0° |
| C21 | C20 | C19 | C24 | 2.5° | 0.3° |
| C20 | C21 | C22 | H26 | 178.4° | 180.0° |
| C21 | C22 | C23 | H26 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.5° | 0.2° |
| C22 | C21 | C20 | H24 | 179.5° | 180.0° |
| C21 | C22 | C23 | H27 | 178.5° | 180.0° |
| C22 | C23 | C24 | H27 | 180.0° | 179.8° |
| C22 | C23 | C24 | C19 | 0.5° | 0.5° |
| C23 | C22 | C21 | H25 | 178.4° | 180.0° |
| C22 | C23 | C24 | H28 | 179.5° | 179.8° |
| C23 | C24 | C19 | H28 | 180.0° | 179.8° |
| C24 | C23 | C22 | H26 | 178.5° | 179.8° |
| C24 | C19 | C18 | H22 | 27.9° | 149.7° |
| C24 | C19 | C18 | H23 | 147.7° | 29.7° |
| C24 | C19 | C20 | H24 | 177.5° | 179.7° |
| C19 | C24 | C23 | H27 | 179.4° | 179.7° |
| N3 | C25 | O3 | C26 | 178.1° | 179.9° |
| N3 | C25 | C26 | C27 | 6.5° | 0.2° |
| N3 | C25 | C26 | C31 | 172.7° | 179.9° |
| C25 | N3 | C10 | H9 | 143.2° | 30.0° |
| C25 | N3 | C10 | H10 | 23.8° | 150.0° |
| O3 | C25 | C26 | C27 | 175.3° | 179.7° |
| O3 | C25 | C26 | C31 | 5.4° | 0.0° |
| C25 | C26 | C27 | C31 | 179.3° | 179.8° |
| C25 | C26 | C27 | N2 | 2.9° | 0.4° |
| C25 | C26 | C27 | C28 | 177.2° | 179.7° |
| C25 | C26 | C31 | C30 | 178.1° | 179.2° |
| C25 | C26 | C31 | H32 | 1.9° | 0.0° |
| C26 | C27 | N2 | C28 | 179.9° | 179.8° |
| C26 | C27 | C28 | C29 | 1.8° | 0.2° |
| C27 | C26 | C31 | C30 | 2.6° | 0.5° |
| C26 | C27 | C28 | H29 | 178.2° | 179.8° |
| C27 | C26 | C31 | H32 | 177.4° | 179.7° |
| N2 | C27 | C28 | C29 | 178.1° | 179.9° |
| N2 | C27 | C26 | C31 | 176.4° | 179.8° |
| C27 | N2 | C8 | H7 | 36.7° | 149.7° |
| C27 | N2 | C8 | H8 | 156.8° | 29.8° |
| N2 | C27 | C28 | H29 | 1.9° | 0.1° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.0° |
| C28 | C27 | C26 | C31 | 3.5° | 0.0° |
| C27 | C28 | C29 | H30 | 179.1° | 180.0° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.8° | 0.5° |
| C28 | C29 | C30 | H31 | 178.2° | 180.0° |
| C29 | C30 | C31 | H31 | 180.0° | 179.5° |
| C29 | C30 | C31 | C26 | 0.1° | 0.8° |
| C30 | C29 | C28 | H29 | 179.2° | 180.0° |
| C29 | C30 | C31 | H32 | 179.9° | 180.0° |
| C30 | C31 | C26 | H32 | 180.0° | 179.2° |
| C31 | C30 | C29 | H30 | 178.2° | 179.5° |
| C26 | C31 | C30 | H31 | 179.9° | 179.8° |
| C7 | C32 | C33 | H33 | 180.0° | 179.9° |
| C7 | C32 | C33 | O4 | 178.5° | 180.0° |
| C7 | C32 | C33 | N5 | 1.4° | 0.1° |
| C32 | C7 | C8 | H7 | 5.8° | 125.0° |
| C32 | C7 | C8 | H8 | 125.9° | 5.0° |
| C32 | C33 | O4 | N5 | 179.9° | 179.8° |
| C32 | C33 | N5 | C2 | 179.4° | 179.6° |
| C32 | C33 | N5 | C6 | 0.4° | 0.4° |
| O4 | C33 | N5 | C2 | 0.5° | 0.5° |
| O4 | C33 | N5 | C6 | 179.7° | 179.8° |
| O4 | C33 | C32 | H33 | 1.5° | 0.1° |
| C33 | N5 | C2 | C6 | 179.8° | 179.3° |
| N5 | C33 | C32 | H33 | 178.6° | 179.7° |
| N5 | C2 | C1 | H1 | 0.4° | 179.7° |
| N5 | C2 | C1 | H2 | 119.5° | 60.3° |
| N5 | C2 | C1 | H3 | 120.5° | 59.7° |
| N5 | C2 | C3 | H4 | 178.9° | 179.7° |
| N5 | C6 | C5 | H6 | 179.7° | 179.8° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | C4 | H5 | 0.1° | 0.0° |
| H5 | C4 | C5 | H6 | 0.3° | 0.0° |
| H9 | C10 | C11 | H11 | 61.8° | 175.0° |
| H10 | C10 | C11 | H11 | 178.8° | 65.0° |
| H11 | C11 | C12 | H12 | 172.8° | 180.0° |
| H11 | C11 | C12 | H13 | 53.9° | 60.0° |
| H11 | C11 | C16 | H19 | 173.1° | 59.9° |
| H11 | C11 | C16 | H20 | 54.1° | 180.0° |
| H12 | C12 | C13 | H14 | 53.8° | 59.9° |
| H12 | C12 | C13 | H15 | 173.1° | 180.0° |
| H13 | C12 | C13 | H14 | 65.0° | 60.0° |
| H13 | C12 | C13 | H15 | 54.3° | 60.1° |
| H14 | C13 | C14 | H16 | 59.8° | 59.9° |
| H15 | C13 | C14 | H16 | 179.1° | 180.0° |
| H16 | C14 | C15 | H17 | 60.1° | 60.0° |
| H16 | C14 | C15 | H18 | 179.4° | 180.0° |
| H17 | C15 | C16 | H19 | 54.7° | 60.0° |
| H17 | C15 | C16 | H20 | 64.3° | 60.1° |
| H18 | C15 | C16 | H19 | 174.0° | 60.0° |
| H18 | C15 | C16 | H20 | 54.9° | NaN° |
| H21 | N4 | C18 | H22 | 135.2° | 120.0° |
| H21 | N4 | C18 | H23 | 105.0° | 120.0° |
| H24 | C20 | C21 | H25 | 0.5° | 0.0° |
| H25 | C21 | C22 | H26 | 1.6° | 0.1° |
| H26 | C22 | C23 | H27 | 1.5° | 0.0° |
| H27 | C23 | C24 | H28 | 0.6° | 0.0° |
| H29 | C28 | C29 | H30 | 0.9° | 0.0° |
| H30 | C29 | C30 | H31 | 1.9° | 0.0° |
| H31 | C30 | C31 | H32 | 0.1° | 0.5° |
