H91
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.49Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| N | C2 | sing | 1.47Å | 1.50Å | |
| O1 | C23 | sing | 1.36Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| CL1 | C24 | sing | 1.74Å | 1.72Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| CL | C22 | sing | 1.74Å | 1.70Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C16 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | N1 | sing | 1.46Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C19 | sing | 1.38Å | 1.42Å | |
| N1 | C9 | sing | 1.34Å | 1.44Å | |
| C18 | C19 | doub | 1.41Å | 1.45Å | Aromatic |
| C18 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| O | C9 | doub | 1.22Å | 1.23Å | |
| C19 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | N2 | sing | 1.34Å | 1.39Å | |
| C13 | N3 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| N3 | C12 | sing | 1.32Å | 1.32Å | Aromatic |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| O1 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C | 109.4° | 111.0° |
| C1 | N | C2 | 109.9° | 111.0° |
| N | C1 | H5 | 109.5° | 109.4° |
| N | C1 | H6 | 109.4° | 109.5° |
| N | C1 | H7 | 109.5° | 109.5° |
| C | N | C2 | 110.9° | 111.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H3 | 109.4° | 109.5° |
| N | C | H4 | 109.5° | 109.4° |
| N | C2 | C3 | 109.6° | 109.5° |
| N | C2 | H14 | 109.4° | 109.5° |
| N | C2 | H15 | 109.4° | 109.5° |
| O1 | C23 | C24 | 125.1° | 119.9° |
| O1 | C23 | C22 | 116.7° | 119.9° |
| C23 | O1 | H29 | 109.5° | 114.0° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C2 | C3 | C8 | 107.4° | 109.5° |
| C3 | C2 | H14 | 109.4° | 109.5° |
| C3 | C2 | H15 | 109.4° | 109.5° |
| C2 | C3 | H18 | 109.1° | 109.5° |
| CL1 | C24 | C23 | 118.8° | 120.0° |
| CL1 | C24 | C25 | 119.2° | 120.0° |
| C24 | C23 | C22 | 118.2° | 120.1° |
| C23 | C24 | C25 | 121.9° | 120.0° |
| C23 | C22 | CL | 120.0° | 120.0° |
| C23 | C22 | C21 | 120.9° | 120.1° |
| CL | C22 | C21 | 119.0° | 120.0° |
| C24 | C25 | C20 | 118.6° | 120.0° |
| C24 | C25 | H17 | 120.7° | 120.0° |
| C4 | C3 | C8 | 110.4° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C4 | C3 | H18 | 109.3° | 109.5° |
| C3 | C4 | H19 | 109.1° | 109.5° |
| C3 | C4 | H20 | 109.2° | 109.5° |
| C3 | C8 | C7 | 109.5° | 109.5° |
| C8 | C3 | H18 | 109.2° | 109.5° |
| C3 | C8 | H26 | 109.5° | 109.5° |
| C3 | C8 | H27 | 109.4° | 109.5° |
| C22 | C21 | C20 | 119.6° | 119.9° |
| C22 | C21 | H16 | 120.2° | 120.1° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C5 | C4 | H19 | 109.2° | 109.5° |
| C5 | C4 | H20 | 109.2° | 109.5° |
| C4 | C5 | H21 | 109.7° | 109.5° |
| C4 | C5 | H22 | 109.7° | 109.4° |
| C8 | C7 | C6 | 107.8° | 109.5° |
| C8 | C7 | H24 | 109.9° | 109.5° |
| C8 | C7 | H25 | 109.9° | 109.5° |
| C7 | C8 | H26 | 109.5° | 109.5° |
| C7 | C8 | H27 | 109.5° | 109.4° |
| C25 | C20 | C21 | 120.8° | 119.9° |
| C25 | C20 | C16 | 122.2° | 120.1° |
| C20 | C25 | H17 | 120.7° | 120.0° |
| C21 | C20 | C16 | 117.0° | 120.0° |
| C20 | C21 | H16 | 120.2° | 120.0° |
| C20 | C16 | C17 | 117.5° | 119.8° |
| C20 | C16 | C15 | 121.6° | 119.8° |
| C5 | C6 | C7 | 109.2° | 109.5° |
| C5 | C6 | N1 | 115.1° | 109.5° |
| C6 | C5 | H21 | 109.7° | 109.5° |
| C6 | C5 | H22 | 109.7° | 109.5° |
| C5 | C6 | H23 | 106.7° | 109.5° |
| C7 | C6 | N1 | 111.4° | 109.5° |
| C7 | C6 | H23 | 106.8° | 109.5° |
| C6 | C7 | H24 | 109.9° | 109.5° |
| C6 | C7 | H25 | 109.9° | 109.5° |
| C6 | N1 | C19 | 125.9° | 118.5° |
| C6 | N1 | C9 | 117.8° | 118.5° |
| N1 | C6 | H23 | 107.2° | 109.5° |
| C17 | C16 | C15 | 120.9° | 120.4° |
| C16 | C17 | C18 | 123.1° | 119.5° |
| C16 | C17 | H13 | 118.5° | 120.2° |
| C16 | C15 | C14 | 118.6° | 121.0° |
| C16 | C15 | H12 | 120.7° | 119.5° |
| C17 | C18 | C19 | 126.9° | 121.5° |
| C17 | C18 | C13 | 115.7° | 119.8° |
| C18 | C17 | H13 | 118.5° | 120.3° |
| C15 | C14 | C13 | 120.8° | 120.1° |
| C15 | C14 | H11 | 119.6° | 119.9° |
| C14 | C15 | H12 | 120.7° | 119.5° |
| C19 | N1 | C9 | 116.3° | 122.9° |
| N1 | C19 | C18 | 128.0° | 121.8° |
| N1 | C19 | C11 | 115.3° | 120.4° |
| N1 | C9 | O | 123.5° | 118.6° |
| N1 | C9 | N2 | 117.0° | 122.9° |
| C19 | C18 | C13 | 117.4° | 118.7° |
| C18 | C19 | C11 | 116.8° | 117.8° |
| C18 | C13 | C14 | 120.9° | 119.2° |
| C18 | C13 | N3 | 124.4° | 120.1° |
| O | C9 | N2 | 119.5° | 118.5° |
| C19 | C11 | C10 | 121.3° | 117.9° |
| C19 | C11 | C12 | 120.8° | 120.4° |
| C14 | C13 | N3 | 114.7° | 120.7° |
| C13 | C14 | H11 | 119.6° | 119.9° |
| C9 | N2 | C10 | 120.4° | 119.1° |
| C9 | N2 | H28 | 119.8° | 120.5° |
| C13 | N3 | C12 | 116.5° | 121.8° |
| C10 | C11 | C12 | 117.9° | 121.8° |
| C11 | C10 | N2 | 109.6° | 116.8° |
| C11 | C10 | H8 | 109.4° | 108.0° |
| C11 | C10 | H9 | 109.4° | 108.0° |
| C11 | C12 | N3 | 124.0° | 121.3° |
| C11 | C12 | H10 | 118.0° | 119.4° |
| N2 | C10 | H8 | 109.4° | 108.0° |
| N2 | C10 | H9 | 109.4° | 108.0° |
| C10 | N2 | H28 | 119.8° | 120.4° |
| N3 | C12 | H10 | 118.0° | 119.3° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.4° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 107.8° |
| H14 | C2 | H15 | 109.5° | 109.4° |
| H19 | C4 | H20 | 109.5° | 109.5° |
| H21 | C5 | H22 | 109.5° | 109.5° |
| H24 | C7 | H25 | 109.5° | 109.4° |
| H26 | C8 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | C | C2 | 121.4° | 123.9° |
| C1 | N | C2 | C3 | 167.5° | 66.0° |
| C1 | N | C | H2 | 180.0° | 63.9° |
| C1 | N | C | H3 | 60.0° | 56.1° |
| C1 | N | C | H4 | 60.0° | 176.0° |
| N | C1 | H5 | H6 | 120.0° | 120.0° |
| N | C1 | H5 | H7 | 120.0° | 120.0° |
| N | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | N | C2 | H14 | 47.4° | 53.9° |
| C1 | N | C2 | H15 | 72.5° | 173.9° |
| C | N | C2 | C3 | 71.5° | 170.0° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| N | C | H2 | H4 | 120.0° | 120.0° |
| N | C | H3 | H4 | 120.0° | 119.9° |
| C | N | C1 | H5 | 180.0° | 60.0° |
| C | N | C1 | H6 | 60.0° | 179.9° |
| C | N | C1 | H7 | 60.0° | 60.0° |
| C | N | C2 | H14 | 168.5° | 70.0° |
| C | N | C2 | H15 | 48.5° | 50.0° |
| N | C2 | C3 | H14 | 120.0° | 120.0° |
| N | C2 | C3 | H15 | 120.0° | 120.0° |
| N | C2 | C3 | C4 | 61.5° | 173.9° |
| N | C2 | C3 | C8 | 177.5° | 66.1° |
| C2 | N | C | H2 | 58.6° | 60.0° |
| C2 | N | C | H3 | 61.4° | 180.0° |
| C2 | N | C | H4 | 178.6° | 60.0° |
| C2 | N | C1 | H5 | 58.0° | 64.0° |
| C2 | N | C1 | H6 | 178.0° | 56.0° |
| C2 | N | C1 | H7 | 62.0° | 176.1° |
| N | C2 | H14 | H15 | 119.9° | 120.0° |
| N | C2 | C3 | H18 | 59.3° | 53.9° |
| O1 | C23 | C24 | CL1 | 1.0° | 0.2° |
| O1 | C23 | C24 | C22 | 179.6° | 179.7° |
| O1 | C23 | C22 | CL | 1.1° | 0.3° |
| O1 | C23 | C24 | C25 | 179.3° | 180.0° |
| O1 | C23 | C22 | C21 | 179.2° | 179.7° |
| C2 | C3 | C4 | C8 | 119.2° | 120.0° |
| C2 | C3 | C4 | H18 | 120.6° | 120.0° |
| C2 | C3 | C8 | H18 | 118.1° | 120.0° |
| C2 | C3 | C4 | C5 | 176.2° | 180.0° |
| C2 | C3 | C8 | C7 | 178.8° | 180.0° |
| C3 | C2 | H14 | H15 | 119.9° | 120.0° |
| C2 | C3 | C4 | H19 | 63.6° | 60.0° |
| C2 | C3 | C4 | H20 | 56.0° | 60.0° |
| C2 | C3 | C8 | H26 | 61.2° | 60.0° |
| C2 | C3 | C8 | H27 | 58.8° | 60.0° |
| CL1 | C24 | C23 | C25 | 179.7° | 179.8° |
| CL1 | C24 | C23 | C22 | 179.4° | 179.9° |
| CL1 | C24 | C25 | C20 | 179.6° | 179.7° |
| CL1 | C24 | C25 | H17 | 0.4° | 0.2° |
| C24 | C23 | C22 | CL | 179.2° | 180.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C23 | C24 | C25 | C20 | 0.1° | 0.5° |
| C23 | C24 | C25 | H17 | 179.9° | 180.0° |
| C24 | C23 | O1 | H29 | 180.0° | 90.0° |
| C23 | C22 | CL | C21 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H16 | 179.7° | 180.0° |
| C22 | C23 | O1 | H29 | 0.4° | 89.7° |
| CL | C22 | C21 | C20 | 179.4° | 180.0° |
| CL | C22 | C21 | H16 | 0.6° | 0.1° |
| C24 | C25 | C20 | H17 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.1° | 0.5° |
| C24 | C25 | C20 | C16 | 179.2° | 179.8° |
| C4 | C3 | C8 | H18 | 120.2° | 120.0° |
| C3 | C4 | C5 | H19 | 120.2° | 120.0° |
| C3 | C4 | C5 | H20 | 120.2° | 120.0° |
| C4 | C3 | C8 | C7 | 59.5° | 60.0° |
| C3 | C4 | C5 | C6 | 57.3° | 60.0° |
| C4 | C3 | C2 | H14 | 58.5° | 53.9° |
| C4 | C3 | C2 | H15 | 178.5° | 66.1° |
| C3 | C4 | H19 | H20 | 119.4° | 120.0° |
| C3 | C4 | C5 | H21 | 62.5° | 60.0° |
| C3 | C4 | C5 | H22 | 177.2° | 180.0° |
| C4 | C3 | C8 | H26 | 60.5° | 60.0° |
| C4 | C3 | C8 | H27 | 179.5° | 180.0° |
| C8 | C3 | C4 | C5 | 57.0° | 60.0° |
| C3 | C8 | C7 | H26 | 120.0° | 120.0° |
| C3 | C8 | C7 | H27 | 120.0° | 120.0° |
| C3 | C8 | C7 | C6 | 62.5° | 60.0° |
| C8 | C3 | C2 | H14 | 62.5° | 174.0° |
| C8 | C3 | C2 | H15 | 57.5° | 54.0° |
| C8 | C3 | C4 | H19 | 177.2° | 180.0° |
| C8 | C3 | C4 | H20 | 63.2° | 60.0° |
| C3 | C8 | C7 | H24 | 177.8° | 60.0° |
| C3 | C8 | C7 | H25 | 57.3° | 180.0° |
| C3 | C8 | H26 | H27 | 120.0° | 120.0° |
| C22 | C21 | C20 | C25 | 0.0° | 0.3° |
| C22 | C21 | C20 | H16 | 180.0° | 180.0° |
| C22 | C21 | C20 | C16 | 179.2° | 180.0° |
| C4 | C5 | C6 | H21 | 119.8° | 120.0° |
| C4 | C5 | C6 | H22 | 119.9° | 120.0° |
| C4 | C5 | C6 | C7 | 60.9° | 60.0° |
| C4 | C5 | C6 | N1 | 173.0° | 180.0° |
| C5 | C4 | C3 | H18 | 63.2° | 60.0° |
| C5 | C4 | H19 | H20 | 119.5° | 120.0° |
| C4 | C5 | H21 | H22 | 120.4° | 120.0° |
| C4 | C5 | C6 | H23 | 54.1° | 60.0° |
| C8 | C7 | C6 | C5 | 63.7° | 60.0° |
| C8 | C7 | C6 | H24 | 119.8° | 120.0° |
| C8 | C7 | C6 | H25 | 119.7° | 120.1° |
| C8 | C7 | C6 | N1 | 168.1° | 180.0° |
| C7 | C8 | C3 | H18 | 60.7° | 60.0° |
| C8 | C7 | C6 | H23 | 51.3° | 60.0° |
| C8 | C7 | H24 | H25 | 120.7° | 120.1° |
| C7 | C8 | H26 | H27 | 120.0° | 120.0° |
| C25 | C20 | C21 | C16 | 179.2° | 179.7° |
| C25 | C20 | C16 | C17 | 154.7° | 17.1° |
| C25 | C20 | C16 | C15 | 24.6° | 162.6° |
| C25 | C20 | C21 | H16 | 180.0° | 179.8° |
| C21 | C20 | C16 | C17 | 24.4° | 162.6° |
| C21 | C20 | C16 | C15 | 156.2° | 17.7° |
| C21 | C20 | C25 | H17 | 179.9° | 180.0° |
| C20 | C16 | C17 | C15 | 179.4° | 179.7° |
| C20 | C16 | C17 | C18 | 179.0° | 180.0° |
| C20 | C16 | C15 | C14 | 179.3° | 179.9° |
| C20 | C16 | C15 | H12 | 0.7° | 0.0° |
| C20 | C16 | C17 | H13 | 1.0° | 0.3° |
| C16 | C20 | C21 | H16 | 0.8° | 0.0° |
| C16 | C20 | C25 | H17 | 0.8° | 0.3° |
| C5 | C6 | C7 | N1 | 128.3° | 120.0° |
| C5 | C6 | C7 | H23 | 115.0° | 120.0° |
| C5 | C6 | N1 | H23 | 118.5° | 120.0° |
| C5 | C6 | N1 | C19 | 112.7° | 68.3° |
| C5 | C6 | N1 | C9 | 69.1° | 111.6° |
| C6 | C5 | C4 | H19 | 177.5° | 180.0° |
| C6 | C5 | C4 | H20 | 62.9° | 60.0° |
| C6 | C5 | H21 | H22 | 120.4° | 120.0° |
| C5 | C6 | C7 | H24 | 176.6° | 60.0° |
| C5 | C6 | C7 | H25 | 56.1° | 180.0° |
| C7 | C6 | N1 | H23 | 116.5° | 120.0° |
| C7 | C6 | N1 | C19 | 122.3° | 171.7° |
| C7 | C6 | N1 | C9 | 55.9° | 8.4° |
| C7 | C6 | C5 | H21 | 58.9° | 60.0° |
| C7 | C6 | C5 | H22 | 179.2° | 180.0° |
| C6 | C7 | H24 | H25 | 120.8° | 119.9° |
| C6 | C7 | C8 | H26 | 57.5° | 60.0° |
| C6 | C7 | C8 | H27 | 177.6° | 180.0° |
| C6 | N1 | C19 | C9 | 178.2° | 180.0° |
| C6 | N1 | C19 | C18 | 37.7° | 0.0° |
| C6 | N1 | C9 | O | 38.5° | 0.0° |
| C6 | N1 | C19 | C11 | 141.6° | 180.0° |
| C6 | N1 | C9 | N2 | 141.2° | 179.9° |
| N1 | C6 | C5 | H21 | 67.2° | 60.0° |
| N1 | C6 | C5 | H22 | 53.1° | 60.0° |
| N1 | C6 | C7 | H24 | 48.3° | 60.0° |
| N1 | C6 | C7 | H25 | 72.2° | 59.9° |
| C16 | C17 | C18 | H13 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.2° |
| C16 | C17 | C18 | C19 | 179.1° | 179.9° |
| C16 | C17 | C18 | C13 | 0.5° | 0.2° |
| C17 | C16 | C15 | H12 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 0.4° | 0.3° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | H13 | 179.6° | 180.0° |
| C17 | C18 | C19 | N1 | 0.5° | 0.0° |
| C17 | C18 | C19 | C13 | 179.5° | 179.9° |
| C17 | C18 | C19 | C11 | 179.8° | 179.9° |
| C17 | C18 | C13 | C14 | 0.3° | 0.0° |
| C17 | C18 | C13 | N3 | 179.9° | 179.9° |
| C15 | C14 | C13 | C18 | 0.0° | 0.1° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C15 | C14 | C13 | N3 | 179.7° | 180.0° |
| N1 | C19 | C18 | C11 | 179.2° | 180.0° |
| N1 | C19 | C18 | C13 | 179.0° | 179.9° |
| C19 | N1 | C9 | O | 143.1° | 180.0° |
| C19 | N1 | C9 | N2 | 37.1° | 0.1° |
| N1 | C19 | C11 | C10 | 0.4° | 0.0° |
| N1 | C19 | C11 | C12 | 179.4° | 180.0° |
| C19 | N1 | C6 | H23 | 5.9° | 51.7° |
| C9 | N1 | C19 | C18 | 144.1° | 180.0° |
| N1 | C9 | O | N2 | 179.8° | 179.9° |
| C9 | N1 | C19 | C11 | 36.6° | 0.0° |
| N1 | C9 | N2 | C10 | 0.2° | 0.2° |
| C9 | N1 | C6 | H23 | 172.3° | 128.4° |
| N1 | C9 | N2 | H28 | 179.9° | 180.0° |
| C19 | C18 | C13 | C14 | 179.3° | 179.9° |
| C19 | C18 | C13 | N3 | 0.3° | 0.0° |
| C18 | C19 | C11 | C10 | 179.7° | 180.0° |
| C18 | C19 | C11 | C12 | 0.0° | 0.0° |
| C19 | C18 | C17 | H13 | 0.9° | 0.2° |
| C13 | C18 | C19 | C11 | 0.2° | 0.0° |
| C18 | C13 | C14 | N3 | 179.6° | 179.9° |
| C18 | C13 | N3 | C12 | 0.1° | 0.1° |
| C18 | C13 | C14 | H11 | 179.9° | 179.9° |
| C13 | C18 | C17 | H13 | 179.6° | 179.9° |
| O | C9 | N2 | C10 | 179.6° | 179.9° |
| O | C9 | N2 | H28 | 0.4° | 0.1° |
| C19 | C11 | C10 | C12 | 179.7° | 180.0° |
| C19 | C11 | C10 | N2 | 33.3° | 0.0° |
| C19 | C11 | C12 | N3 | 0.2° | 0.0° |
| C19 | C11 | C10 | H8 | 153.3° | 121.9° |
| C19 | C11 | C10 | H9 | 86.8° | 121.8° |
| C19 | C11 | C12 | H10 | 179.8° | 179.9° |
| C14 | C13 | N3 | C12 | 179.5° | 180.0° |
| C13 | C14 | C15 | H12 | 179.9° | 179.9° |
| C9 | N2 | C10 | C11 | 33.1° | 0.1° |
| C9 | N2 | C10 | H28 | 180.0° | 179.8° |
| C9 | N2 | C10 | H8 | 153.1° | 122.0° |
| C9 | N2 | C10 | H9 | 86.9° | 121.7° |
| C13 | N3 | C12 | C11 | 0.2° | 0.1° |
| C13 | N3 | C12 | H10 | 179.8° | 179.9° |
| N3 | C13 | C14 | H11 | 0.3° | 0.0° |
| C11 | C10 | N2 | H8 | 120.0° | 121.8° |
| C11 | C10 | N2 | H9 | 120.0° | 121.8° |
| C10 | C11 | C12 | N3 | 179.5° | 180.0° |
| C11 | C10 | H8 | H9 | 119.9° | 116.4° |
| C10 | C11 | C12 | H10 | 0.5° | 0.1° |
| C11 | C10 | N2 | H28 | 146.9° | 179.9° |
| C12 | C11 | C10 | N2 | 147.0° | 180.0° |
| C11 | C12 | N3 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H8 | 27.0° | 58.1° |
| C12 | C11 | C10 | H9 | 93.0° | 58.2° |
| N2 | C10 | H8 | H9 | 119.9° | 116.5° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H8 | C10 | N2 | H28 | 26.9° | 58.2° |
| H9 | C10 | N2 | H28 | 93.0° | 58.1° |
| H11 | C14 | C15 | H12 | 0.1° | 0.1° |
| H14 | C2 | C3 | H18 | 179.3° | 66.1° |
| H15 | C2 | C3 | H18 | 60.7° | 174.0° |
| H18 | C3 | C4 | H19 | 57.0° | 60.0° |
| H18 | C3 | C4 | H20 | 176.6° | 180.0° |
| H18 | C3 | C8 | H26 | 179.3° | 180.0° |
| H18 | C3 | C8 | H27 | 59.3° | 60.0° |
| H19 | C4 | C5 | H21 | 57.6° | 60.0° |
| H19 | C4 | C5 | H22 | 62.6° | 60.0° |
| H20 | C4 | C5 | H21 | 177.3° | NaN° |
| H20 | C4 | C5 | H22 | 57.0° | 60.0° |
| H21 | C5 | C6 | H23 | 174.0° | 180.0° |
| H22 | C5 | C6 | H23 | 65.7° | 60.0° |
| H23 | C6 | C7 | H24 | 68.4° | 180.0° |
| H23 | C6 | C7 | H25 | 171.1° | 60.1° |
| H24 | C7 | C8 | H26 | 62.2° | 180.0° |
| H24 | C7 | C8 | H27 | 57.8° | 60.0° |
| H25 | C7 | C8 | H26 | 177.3° | 60.0° |
| H25 | C7 | C8 | H27 | 62.7° | 60.0° |
