H7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C32 | sing | 1.36Å | 1.39Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| CL1 | C25 | sing | 1.74Å | 1.56Å | |
| C34 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | N7 | sing | 1.40Å | 1.49Å | |
| C28 | C21 | sing | 1.47Å | 1.53Å | |
| N7 | C3 | sing | 1.36Å | 1.33Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.52Å | |
| C22 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | N6 | doub | 1.29Å | 1.31Å | |
| C3 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| N6 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| O1 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | N3 | sing | 1.35Å | 1.44Å | |
| N3 | C7 | sing | 1.40Å | 1.48Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.49Å | |
| C11 | N4 | sing | 1.47Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N4 | C18 | sing | 1.47Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.53Å | 1.55Å | |
| C13 | N5 | sing | 1.47Å | 1.51Å | |
| C16 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C15 | sing | 1.47Å | 1.48Å | |
| N5 | C14 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | O2 | C32 | 121.5° | 117.0° |
| O2 | C33 | H36 | 109.5° | 109.5° |
| O2 | C33 | H37 | 109.5° | 109.4° |
| O2 | C33 | H38 | 109.4° | 109.4° |
| O2 | C32 | C31 | 122.3° | 120.0° |
| O2 | C32 | C34 | 119.3° | 120.0° |
| C1 | C2 | N7 | 129.6° | 126.5° |
| C1 | C2 | N1 | 126.0° | 126.7° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C32 | C31 | C30 | 119.3° | 119.9° |
| C31 | C32 | C34 | 118.4° | 120.1° |
| C32 | C31 | H35 | 120.3° | 120.0° |
| C31 | C30 | C29 | 123.4° | 120.6° |
| C31 | C30 | H34 | 118.3° | 119.7° |
| C30 | C31 | H35 | 120.3° | 120.1° |
| C23 | C24 | C25 | 122.4° | 120.1° |
| C24 | C23 | C22 | 120.6° | 119.8° |
| C24 | C23 | H30 | 119.7° | 120.1° |
| C23 | C24 | H31 | 118.8° | 119.9° |
| C24 | C25 | CL1 | 120.9° | 119.8° |
| C24 | C25 | C26 | 116.9° | 120.3° |
| C25 | C24 | H31 | 118.8° | 120.0° |
| C32 | C34 | C28 | 122.2° | 120.5° |
| C32 | C34 | H39 | 118.9° | 119.8° |
| C30 | C29 | C28 | 116.7° | 119.9° |
| C30 | C29 | N7 | 119.2° | 118.2° |
| C29 | C30 | H34 | 118.3° | 119.7° |
| C23 | C22 | C21 | 123.3° | 120.1° |
| C23 | C22 | C27 | 117.4° | 119.8° |
| C22 | C23 | H30 | 119.7° | 120.1° |
| CL1 | C25 | C26 | 122.2° | 119.9° |
| C34 | C28 | C29 | 119.9° | 118.9° |
| C34 | C28 | C21 | 116.4° | 118.1° |
| C28 | C34 | H39 | 118.9° | 119.7° |
| C25 | C26 | C27 | 121.6° | 120.2° |
| C25 | C26 | H32 | 119.2° | 119.9° |
| N7 | C2 | N1 | 104.4° | 106.8° |
| C2 | N7 | C29 | 128.1° | 127.9° |
| C2 | N7 | C3 | 112.0° | 106.2° |
| C2 | N1 | N2 | 109.5° | 109.9° |
| C28 | C29 | N7 | 124.1° | 121.9° |
| C29 | C28 | C21 | 123.7° | 123.0° |
| C29 | N7 | C3 | 119.8° | 125.9° |
| C28 | C21 | C22 | 119.7° | 116.0° |
| C28 | C21 | N6 | 120.2° | 128.0° |
| N7 | C3 | N2 | 105.5° | 107.4° |
| N7 | C3 | C4 | 125.5° | 125.2° |
| C21 | C22 | C27 | 119.1° | 120.1° |
| C22 | C21 | N6 | 119.0° | 116.0° |
| C22 | C27 | C26 | 121.1° | 119.8° |
| C22 | C27 | H33 | 119.4° | 120.1° |
| N1 | N2 | C3 | 108.6° | 109.6° |
| C27 | C26 | H32 | 119.2° | 120.0° |
| C26 | C27 | H33 | 119.5° | 120.1° |
| C21 | N6 | C4 | 124.0° | 121.9° |
| N2 | C3 | C4 | 128.8° | 127.4° |
| C3 | C4 | N6 | 105.9° | 107.8° |
| C3 | C4 | C5 | 108.6° | 109.8° |
| C3 | C4 | H1 | 111.2° | 109.8° |
| N6 | C4 | C5 | 108.7° | 109.8° |
| N6 | C4 | H1 | 111.4° | 109.8° |
| C4 | C5 | C6 | 115.3° | 109.5° |
| C5 | C4 | H1 | 110.8° | 109.8° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C4 | C5 | H6 | 108.0° | 109.5° |
| C5 | C6 | O1 | 119.5° | 119.9° |
| C5 | C6 | N3 | 115.2° | 120.0° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C6 | C5 | H6 | 108.0° | 109.5° |
| O1 | C6 | N3 | 125.1° | 120.0° |
| C6 | N3 | C7 | 126.9° | 120.0° |
| C6 | N3 | H14 | 116.5° | 120.0° |
| N3 | C7 | C8 | 115.0° | 120.0° |
| N3 | C7 | C20 | 125.1° | 120.0° |
| C7 | N3 | H14 | 116.6° | 120.0° |
| C8 | C7 | C20 | 119.9° | 120.0° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H9 | 119.6° | 120.0° |
| C7 | C20 | C19 | 119.2° | 120.0° |
| C7 | C20 | H29 | 120.4° | 120.0° |
| C8 | C9 | C10 | 121.1° | 120.0° |
| C9 | C8 | H9 | 119.7° | 120.0° |
| C8 | C9 | H10 | 119.4° | 119.9° |
| C20 | C19 | C10 | 122.3° | 120.0° |
| C20 | C19 | H28 | 118.9° | 120.0° |
| C19 | C20 | H29 | 120.5° | 120.0° |
| C9 | C10 | C19 | 116.8° | 120.0° |
| C9 | C10 | N4 | 123.6° | 120.0° |
| C10 | C9 | H10 | 119.4° | 120.1° |
| C19 | C10 | N4 | 119.6° | 120.0° |
| C10 | C19 | H28 | 118.9° | 120.1° |
| C10 | N4 | C11 | 114.1° | 111.0° |
| C10 | N4 | C18 | 114.3° | 111.0° |
| N4 | C11 | C12 | 106.2° | 109.5° |
| C11 | N4 | C18 | 110.5° | 111.2° |
| N4 | C11 | H7 | 110.3° | 109.5° |
| N4 | C11 | H8 | 110.3° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.3° |
| C12 | C11 | H7 | 110.3° | 109.5° |
| C12 | C11 | H8 | 110.3° | 109.5° |
| C11 | C12 | H11 | 109.4° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.5° |
| N4 | C18 | C17 | 108.9° | 109.5° |
| N4 | C18 | H26 | 109.6° | 109.5° |
| N4 | C18 | H27 | 109.6° | 109.5° |
| C18 | C17 | C13 | 111.7° | 109.3° |
| C18 | C17 | H24 | 108.9° | 109.5° |
| C18 | C17 | H25 | 108.9° | 109.5° |
| C17 | C18 | H26 | 109.6° | 109.4° |
| C17 | C18 | H27 | 109.6° | 109.4° |
| C12 | C13 | C17 | 108.6° | 109.1° |
| C12 | C13 | N5 | 112.3° | 109.5° |
| C13 | C12 | H11 | 109.3° | 109.6° |
| C13 | C12 | H12 | 109.3° | 109.5° |
| C12 | C13 | H13 | 107.6° | 109.5° |
| C17 | C13 | N5 | 112.8° | 109.5° |
| C17 | C13 | H13 | 107.5° | 109.5° |
| C13 | C17 | H24 | 108.9° | 109.5° |
| C13 | C17 | H25 | 108.9° | 109.5° |
| C13 | N5 | C16 | 109.1° | 109.4° |
| C13 | N5 | C15 | 108.8° | 109.4° |
| C13 | N5 | C14 | 114.2° | 109.5° |
| N5 | C13 | H13 | 107.9° | 109.6° |
| C16 | N5 | C15 | 108.0° | 109.5° |
| C16 | N5 | C14 | 107.9° | 109.5° |
| N5 | C16 | H21 | 109.5° | 109.5° |
| N5 | C16 | H22 | 109.4° | 109.5° |
| N5 | C16 | H23 | 109.5° | 109.5° |
| C15 | N5 | C14 | 108.6° | 109.5° |
| N5 | C15 | H18 | 109.5° | 109.5° |
| N5 | C15 | H19 | 109.4° | 109.4° |
| N5 | C15 | H20 | 109.5° | 109.5° |
| N5 | C14 | H2 | 109.5° | 109.5° |
| N5 | C14 | H3 | 109.5° | 109.4° |
| N5 | C14 | H4 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H4 | 109.4° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.6° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.4° | 109.4° |
| H21 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H38 | 109.5° | 109.6° |
| H37 | C33 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | O2 | C32 | C31 | 6.2° | 0.0° |
| C33 | O2 | C32 | C34 | 173.7° | 180.0° |
| O2 | C33 | H36 | H37 | 120.0° | 119.9° |
| O2 | C33 | H36 | H38 | 120.0° | 120.0° |
| O2 | C33 | H37 | H38 | 119.9° | 119.9° |
| O2 | C32 | C31 | C34 | 179.9° | 180.0° |
| O2 | C32 | C31 | C30 | 179.4° | 179.1° |
| O2 | C32 | C34 | C28 | 179.1° | 179.8° |
| O2 | C32 | C31 | H35 | 0.6° | 0.9° |
| C32 | O2 | C33 | H36 | 180.0° | 60.0° |
| C32 | O2 | C33 | H37 | 60.0° | 60.0° |
| C32 | O2 | C33 | H38 | 60.0° | 179.9° |
| O2 | C32 | C34 | H39 | 0.9° | 0.2° |
| C1 | C2 | N7 | N1 | 178.6° | 180.0° |
| C1 | C2 | N7 | C29 | 1.9° | 3.0° |
| C1 | C2 | N7 | C3 | 179.1° | 178.3° |
| C1 | C2 | N1 | N2 | 179.9° | 179.1° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C32 | C31 | C30 | H35 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.6° | 0.2° |
| C31 | C32 | C34 | C28 | 0.8° | 0.2° |
| C32 | C31 | C30 | H34 | 179.4° | 179.9° |
| C31 | C32 | C34 | H39 | 179.2° | 179.8° |
| C30 | C31 | C32 | C34 | 0.5° | 0.8° |
| C31 | C30 | C29 | H34 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 1.4° | 1.8° |
| C31 | C30 | C29 | N7 | 179.0° | 177.0° |
| C23 | C24 | C25 | H31 | 180.0° | 180.0° |
| C24 | C23 | C22 | H30 | 180.0° | 179.9° |
| C23 | C24 | C25 | CL1 | 179.3° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C23 | C22 | C21 | 176.3° | 180.0° |
| C24 | C23 | C22 | C27 | 0.4° | 0.3° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C24 | C25 | CL1 | C26 | 178.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.3° |
| C25 | C24 | C23 | H30 | 179.6° | 180.0° |
| C24 | C25 | C26 | H32 | 179.7° | 180.0° |
| C32 | C34 | C28 | H39 | 180.0° | 180.0° |
| C32 | C34 | C28 | C29 | 0.0° | 1.4° |
| C32 | C34 | C28 | C21 | 179.3° | 178.3° |
| C34 | C32 | C31 | H35 | 179.5° | 179.1° |
| C30 | C29 | C28 | C34 | 1.1° | 2.3° |
| C30 | C29 | N7 | C2 | 40.7° | 36.1° |
| C30 | C29 | C28 | N7 | 177.6° | 178.7° |
| C30 | C29 | C28 | C21 | 179.7° | 177.3° |
| C30 | C29 | N7 | C3 | 136.3° | 142.4° |
| C29 | C30 | C31 | H35 | 179.4° | 179.9° |
| C23 | C22 | C21 | C28 | 32.1° | 153.3° |
| C23 | C22 | C21 | C27 | 175.8° | 179.7° |
| C23 | C22 | C27 | C26 | 0.4° | 0.6° |
| C23 | C22 | C21 | N6 | 135.9° | 26.8° |
| C22 | C23 | C24 | H31 | 179.6° | 180.0° |
| C23 | C22 | C27 | H33 | 179.6° | 179.7° |
| CL1 | C25 | C26 | C27 | 179.2° | 179.8° |
| CL1 | C25 | C24 | H31 | 0.7° | 0.1° |
| CL1 | C25 | C26 | H32 | 0.8° | 0.0° |
| C34 | C28 | C29 | C21 | 179.2° | 179.6° |
| C34 | C28 | C29 | N7 | 178.6° | 176.3° |
| C34 | C28 | C21 | C22 | 48.0° | 41.3° |
| C34 | C28 | C21 | N6 | 144.2° | 138.7° |
| C25 | C26 | C27 | C22 | 0.3° | 0.5° |
| C25 | C26 | C27 | H32 | 180.0° | 179.8° |
| C26 | C25 | C24 | H31 | 179.6° | 180.0° |
| C25 | C26 | C27 | H33 | 179.7° | 179.7° |
| C2 | N7 | C29 | C28 | 141.8° | 145.2° |
| C2 | N7 | C29 | C3 | 177.0° | 178.5° |
| N7 | C2 | N1 | N2 | 1.3° | 0.8° |
| C2 | N7 | C3 | N2 | 2.4° | 1.9° |
| C2 | N7 | C3 | C4 | 176.8° | 177.4° |
| N7 | C2 | C1 | H15 | 178.3° | 95.6° |
| N7 | C2 | C1 | H16 | 58.3° | 144.4° |
| N7 | C2 | C1 | H17 | 61.7° | 24.4° |
| N1 | C2 | N7 | C29 | 179.5° | 177.0° |
| N1 | C2 | N7 | C3 | 2.3° | 1.7° |
| C2 | N1 | N2 | C3 | 0.1° | 0.4° |
| N1 | C2 | C1 | H15 | 0.0° | 84.3° |
| N1 | C2 | C1 | H16 | 120.0° | 35.6° |
| N1 | C2 | C1 | H17 | 120.0° | 155.7° |
| C28 | C29 | N7 | C3 | 41.2° | 36.3° |
| C29 | C28 | C21 | C22 | 131.3° | 138.3° |
| C29 | C28 | C21 | N6 | 36.5° | 41.6° |
| C28 | C29 | C30 | H34 | 178.6° | 178.3° |
| C29 | C28 | C34 | H39 | 180.0° | 178.6° |
| N7 | C29 | C28 | C21 | 2.2° | 4.1° |
| C29 | N7 | C3 | N2 | 179.8° | 176.8° |
| C29 | N7 | C3 | C4 | 5.7° | 3.8° |
| N7 | C29 | C30 | H34 | 0.9° | 3.0° |
| C28 | C21 | C22 | N6 | 167.9° | 180.0° |
| C28 | C21 | C22 | C27 | 152.1° | 27.0° |
| C28 | C21 | N6 | C4 | 11.4° | 1.0° |
| C21 | C28 | C34 | H39 | 0.7° | 1.8° |
| N7 | C3 | N2 | N1 | 1.5° | 1.5° |
| N7 | C3 | N2 | C4 | 174.2° | 179.4° |
| N7 | C3 | C4 | N6 | 63.1° | 58.9° |
| N7 | C3 | C4 | C5 | 179.7° | 60.7° |
| N7 | C3 | C4 | H1 | 58.1° | 178.5° |
| C21 | C22 | C27 | C26 | 176.4° | 179.7° |
| C22 | C21 | N6 | C4 | 179.3° | 179.1° |
| C21 | C22 | C23 | H30 | 3.7° | 0.1° |
| C21 | C22 | C27 | H33 | 3.6° | 0.0° |
| C22 | C27 | C26 | H33 | 180.0° | 179.8° |
| C27 | C22 | C21 | N6 | 40.0° | 152.9° |
| C27 | C22 | C23 | H30 | 179.6° | 179.7° |
| C22 | C27 | C26 | H32 | 179.7° | 179.7° |
| N1 | N2 | C3 | C4 | 175.6° | 177.9° |
| C21 | N6 | C4 | C3 | 74.2° | 60.9° |
| C21 | N6 | C4 | C5 | 169.3° | 58.7° |
| C21 | N6 | C4 | H1 | 46.9° | 179.4° |
| N2 | C3 | C4 | N6 | 110.0° | 120.3° |
| N2 | C3 | C4 | C5 | 6.6° | 120.1° |
| N2 | C3 | C4 | H1 | 128.8° | 0.7° |
| C3 | C4 | N6 | C5 | 116.5° | 119.6° |
| C3 | C4 | N6 | H1 | 121.1° | 119.6° |
| C3 | C4 | C5 | H1 | 122.5° | 120.8° |
| C3 | C4 | C5 | C6 | 171.9° | 175.8° |
| C3 | C4 | C5 | H5 | 51.0° | 64.2° |
| C3 | C4 | C5 | H6 | 67.3° | 55.8° |
| N6 | C4 | C5 | H1 | 122.8° | 120.8° |
| N6 | C4 | C5 | C6 | 57.1° | 65.8° |
| N6 | C4 | C5 | H5 | 63.8° | 54.2° |
| N6 | C4 | C5 | H6 | 177.9° | 174.2° |
| C4 | C5 | C6 | H5 | 120.9° | 120.0° |
| C4 | C5 | C6 | H6 | 120.8° | 120.0° |
| C4 | C5 | C6 | O1 | 31.1° | 0.0° |
| C4 | C5 | C6 | N3 | 143.6° | 180.0° |
| C4 | C5 | H5 | H6 | 117.4° | 120.0° |
| C5 | C6 | O1 | N3 | 174.1° | 179.9° |
| C5 | C6 | N3 | C7 | 174.7° | 175.2° |
| C6 | C5 | C4 | H1 | 65.7° | 55.0° |
| C6 | C5 | H5 | H6 | 117.3° | 120.0° |
| C5 | C6 | N3 | H14 | 5.3° | 4.9° |
| O1 | C6 | N3 | C7 | 10.9° | 4.7° |
| O1 | C6 | C5 | H5 | 151.9° | 120.0° |
| O1 | C6 | C5 | H6 | 89.8° | 120.0° |
| O1 | C6 | N3 | H14 | 169.1° | 175.2° |
| C6 | N3 | C7 | H14 | 180.0° | 179.9° |
| C6 | N3 | C7 | C8 | 168.0° | 144.4° |
| C6 | N3 | C7 | C20 | 13.3° | 35.9° |
| N3 | C6 | C5 | H5 | 22.8° | 60.0° |
| N3 | C6 | C5 | H6 | 95.5° | 60.0° |
| N3 | C7 | C8 | C20 | 178.7° | 179.7° |
| N3 | C7 | C8 | C9 | 179.5° | 179.7° |
| N3 | C7 | C20 | C19 | 179.0° | 179.7° |
| N3 | C7 | C8 | H9 | 0.5° | 0.2° |
| N3 | C7 | C20 | H29 | 1.0° | 0.3° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C8 | C7 | C20 | C19 | 0.4° | 0.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C7 | C8 | C9 | H10 | 179.5° | 180.0° |
| C8 | C7 | N3 | H14 | 12.0° | 35.7° |
| C8 | C7 | C20 | H29 | 179.6° | 180.0° |
| C20 | C7 | C8 | C9 | 0.8° | 0.1° |
| C7 | C20 | C19 | H29 | 180.0° | 180.0° |
| C7 | C20 | C19 | C10 | 0.4° | 0.0° |
| C20 | C7 | C8 | H9 | 179.2° | 180.0° |
| C20 | C7 | N3 | H14 | 166.7° | 144.0° |
| C7 | C20 | C19 | H28 | 179.6° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C8 | C9 | C10 | C19 | 0.3° | 0.1° |
| C8 | C9 | C10 | N4 | 179.0° | 180.0° |
| C20 | C19 | C10 | C9 | 0.7° | 0.1° |
| C20 | C19 | C10 | H28 | 180.0° | 179.9° |
| C20 | C19 | C10 | N4 | 179.5° | 180.0° |
| C9 | C10 | C19 | N4 | 178.7° | 179.9° |
| C9 | C10 | N4 | C11 | 118.6° | 180.0° |
| C9 | C10 | N4 | C18 | 9.9° | 55.7° |
| C10 | C9 | C8 | H9 | 179.5° | 180.0° |
| C9 | C10 | C19 | H28 | 179.3° | 180.0° |
| C19 | C10 | N4 | C11 | 62.8° | 0.1° |
| C19 | C10 | N4 | C18 | 168.7° | 124.2° |
| C19 | C10 | C9 | H10 | 179.7° | 180.0° |
| C10 | C19 | C20 | H29 | 179.6° | 180.0° |
| C10 | N4 | C11 | C18 | 130.4° | 124.1° |
| C10 | N4 | C11 | C12 | 164.6° | 174.1° |
| C10 | N4 | C18 | C17 | 169.2° | 174.1° |
| C10 | N4 | C11 | H7 | 45.1° | 65.8° |
| C10 | N4 | C11 | H8 | 75.9° | 54.1° |
| N4 | C10 | C9 | H10 | 1.0° | 0.0° |
| C10 | N4 | C18 | H26 | 70.9° | 65.9° |
| C10 | N4 | C18 | H27 | 49.3° | 54.1° |
| N4 | C10 | C19 | H28 | 0.5° | 0.1° |
| N4 | C11 | C12 | H7 | 119.5° | 120.0° |
| N4 | C11 | C12 | H8 | 119.4° | 120.0° |
| C11 | N4 | C18 | C17 | 60.5° | 61.7° |
| N4 | C11 | C12 | C13 | 64.9° | 59.2° |
| N4 | C11 | H7 | H8 | 121.5° | 120.0° |
| N4 | C11 | C12 | H11 | 55.2° | 60.8° |
| N4 | C11 | C12 | H12 | 175.0° | 179.1° |
| C11 | N4 | C18 | H26 | 59.4° | 58.3° |
| C11 | N4 | C18 | H27 | 179.6° | 178.3° |
| C12 | C11 | N4 | C18 | 65.0° | 61.7° |
| C11 | C12 | C13 | H11 | 120.1° | 119.9° |
| C11 | C12 | C13 | H12 | 120.1° | 119.9° |
| C11 | C12 | C13 | C17 | 60.4° | 57.7° |
| C11 | C12 | C13 | N5 | 174.2° | 177.6° |
| C12 | C11 | H7 | H8 | 121.5° | 120.0° |
| C11 | C12 | H11 | H12 | 119.8° | 120.1° |
| C11 | C12 | C13 | H13 | 55.6° | 62.2° |
| N4 | C18 | C17 | H26 | 119.9° | 120.0° |
| N4 | C18 | C17 | H27 | 119.9° | 120.0° |
| N4 | C18 | C17 | C13 | 55.2° | 59.2° |
| C18 | N4 | C11 | H7 | 175.5° | 58.3° |
| C18 | N4 | C11 | H8 | 54.5° | 178.2° |
| N4 | C18 | C17 | H24 | 175.5° | 60.8° |
| N4 | C18 | C17 | H25 | 65.2° | 179.1° |
| N4 | C18 | H26 | H27 | 120.2° | 120.0° |
| C18 | C17 | C13 | C12 | 55.2° | 57.7° |
| C18 | C17 | C13 | H24 | 120.3° | 119.9° |
| C18 | C17 | C13 | H25 | 120.4° | 120.0° |
| C18 | C17 | C13 | N5 | 179.7° | 177.6° |
| C18 | C17 | C13 | H13 | 60.9° | 62.2° |
| C18 | C17 | H24 | H25 | 119.0° | 120.1° |
| C17 | C18 | H26 | H27 | 120.3° | 120.0° |
| C12 | C13 | C17 | N5 | 125.1° | 119.9° |
| C12 | C13 | C17 | H13 | 116.1° | 119.9° |
| C12 | C13 | N5 | H13 | 118.4° | 120.2° |
| C12 | C13 | N5 | C16 | 66.6° | 59.9° |
| C12 | C13 | N5 | C15 | 175.7° | 60.0° |
| C12 | C13 | N5 | C14 | 54.2° | 180.0° |
| C13 | C12 | C11 | H7 | 175.6° | 60.8° |
| C13 | C12 | C11 | H8 | 54.6° | 179.2° |
| C13 | C12 | H11 | H12 | 119.8° | 120.1° |
| C12 | C13 | C17 | H24 | 175.5° | 62.2° |
| C12 | C13 | C17 | H25 | 65.2° | 177.6° |
| C17 | C13 | N5 | H13 | 118.6° | 120.1° |
| C17 | C13 | N5 | C16 | 170.3° | 59.7° |
| C17 | C13 | N5 | C15 | 52.7° | 179.7° |
| C17 | C13 | N5 | C14 | 68.8° | 60.4° |
| C17 | C13 | C12 | H11 | 59.7° | 62.2° |
| C17 | C13 | C12 | H12 | 179.5° | 177.6° |
| C13 | C17 | H24 | H25 | 119.0° | 120.1° |
| C13 | C17 | C18 | H26 | 64.8° | 60.8° |
| C13 | C17 | C18 | H27 | 175.1° | 179.2° |
| C13 | N5 | C16 | C15 | 118.1° | 119.9° |
| C13 | N5 | C16 | C14 | 124.6° | 120.0° |
| C13 | N5 | C15 | C14 | 124.9° | 120.0° |
| C13 | N5 | C14 | H2 | 180.0° | 60.1° |
| C13 | N5 | C14 | H3 | 60.0° | 180.0° |
| C13 | N5 | C14 | H4 | 60.0° | 60.0° |
| N5 | C13 | C12 | H11 | 65.7° | 57.6° |
| N5 | C13 | C12 | H12 | 54.1° | 62.6° |
| C13 | N5 | C15 | H18 | 180.0° | 60.0° |
| C13 | N5 | C15 | H19 | 60.0° | 180.0° |
| C13 | N5 | C15 | H20 | 60.0° | 60.0° |
| C13 | N5 | C16 | H21 | 180.0° | 60.0° |
| C13 | N5 | C16 | H22 | 60.0° | 180.0° |
| C13 | N5 | C16 | H23 | 60.0° | 60.1° |
| N5 | C13 | C17 | H24 | 59.4° | 57.6° |
| N5 | C13 | C17 | H25 | 59.9° | 62.5° |
| C16 | N5 | C15 | C14 | 116.8° | 120.1° |
| C16 | N5 | C14 | H2 | 58.5° | 59.9° |
| C16 | N5 | C14 | H3 | 178.5° | 60.0° |
| C16 | N5 | C14 | H4 | 61.5° | 180.0° |
| C16 | N5 | C13 | H13 | 51.7° | 179.8° |
| C16 | N5 | C15 | H18 | 61.7° | 180.0° |
| C16 | N5 | C15 | H19 | 58.3° | 60.1° |
| C16 | N5 | C15 | H20 | 178.4° | 59.9° |
| N5 | C16 | H21 | H22 | 120.0° | 120.0° |
| N5 | C16 | H21 | H23 | 120.0° | 120.0° |
| N5 | C16 | H22 | H23 | 120.0° | 120.0° |
| C15 | N5 | C14 | H2 | 58.4° | 180.0° |
| C15 | N5 | C14 | H3 | 61.6° | 60.1° |
| C15 | N5 | C14 | H4 | 178.4° | 60.0° |
| C15 | N5 | C13 | H13 | 65.9° | 60.2° |
| N5 | C15 | H18 | H19 | 120.0° | 119.9° |
| N5 | C15 | H18 | H20 | 120.0° | 120.1° |
| N5 | C15 | H19 | H20 | 120.0° | 120.1° |
| C15 | N5 | C16 | H21 | 61.9° | 59.9° |
| C15 | N5 | C16 | H22 | 178.2° | 60.1° |
| C15 | N5 | C16 | H23 | 58.2° | 180.0° |
| N5 | C14 | H2 | H3 | 120.0° | 119.9° |
| N5 | C14 | H2 | H4 | 120.0° | 120.0° |
| N5 | C14 | H3 | H4 | 120.0° | 120.0° |
| C14 | N5 | C13 | H13 | 172.6° | 59.8° |
| C14 | N5 | C15 | H18 | 55.2° | 59.9° |
| C14 | N5 | C15 | H19 | 175.1° | 60.0° |
| C14 | N5 | C15 | H20 | 64.8° | 180.0° |
| C14 | N5 | C16 | H21 | 55.4° | 180.0° |
| C14 | N5 | C16 | H22 | 64.6° | 60.0° |
| C14 | N5 | C16 | H23 | 175.4° | 59.9° |
| H1 | C4 | C5 | H5 | 173.5° | 175.0° |
| H1 | C4 | C5 | H6 | 55.1° | 65.0° |
| H2 | C14 | H3 | H4 | 119.9° | 120.0° |
| H7 | C11 | C12 | H11 | 64.3° | 179.2° |
| H7 | C11 | C12 | H12 | 55.6° | 59.1° |
| H8 | C11 | C12 | H11 | 174.6° | 59.3° |
| H8 | C11 | C12 | H12 | 65.5° | 60.9° |
| H9 | C8 | C9 | H10 | 0.5° | 0.1° |
| H11 | C12 | C13 | H13 | 175.7° | 177.9° |
| H12 | C12 | C13 | H13 | 64.4° | 57.7° |
| H13 | C13 | C17 | H24 | 59.4° | 177.9° |
| H13 | C13 | C17 | H25 | 178.8° | 57.7° |
| H15 | C1 | H16 | H17 | 119.9° | 120.1° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
| H24 | C17 | C18 | H26 | 55.6° | 179.2° |
| H24 | C17 | C18 | H27 | 64.6° | 59.3° |
| H25 | C17 | C18 | H26 | 174.9° | 59.1° |
| H25 | C17 | C18 | H27 | 54.7° | 60.9° |
| H28 | C19 | C20 | H29 | 0.4° | 0.0° |
| H30 | C23 | C24 | H31 | 0.4° | 0.0° |
| H32 | C26 | C27 | H33 | 0.3° | 0.0° |
| H34 | C30 | C31 | H35 | 0.6° | 0.0° |
| H36 | C33 | H37 | H38 | 120.0° | 120.1° |
