7T5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C8 | sing | 1.49Å | 1.47Å | |
| N3 | C11 | sing | 1.49Å | 1.47Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| N2 | C6 | sing | 1.47Å | 1.45Å | |
| C10 | F1 | sing | 1.40Å | 1.40Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C6 | C12 | sing | 1.55Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| N1 | C13 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O1 | C4 | doub | 1.21Å | 1.23Å | |
| C14 | N4 | sing | 1.47Å | 1.46Å | |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| N4 | C15 | sing | 1.35Å | 1.33Å | |
| O3 | C15 | doub | 1.22Å | 1.23Å | |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C34 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | trip | 1.17Å | 1.20Å | |
| C21 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 1.01Å | 1.00Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N3 | C11 | 109.0° | 104.2° |
| N3 | C8 | C7 | 111.5° | 110.4° |
| N3 | C8 | C9 | 102.8° | 104.6° |
| N3 | C8 | H12 | 110.8° | 110.5° |
| C8 | N3 | H23 | 109.6° | 110.9° |
| N3 | C11 | C10 | 106.4° | 104.6° |
| N3 | C11 | H16 | 110.3° | 110.4° |
| N3 | C11 | H17 | 110.2° | 110.5° |
| C11 | N3 | H23 | 109.6° | 111.0° |
| C7 | C8 | C9 | 111.7° | 110.4° |
| C8 | C7 | O2 | 121.6° | 120.0° |
| C8 | C7 | N2 | 115.4° | 120.0° |
| C7 | C8 | H12 | 110.0° | 110.4° |
| C8 | C9 | C10 | 102.9° | 105.1° |
| C9 | C8 | H12 | 109.9° | 110.4° |
| C8 | C9 | H13 | 111.1° | 110.3° |
| C8 | C9 | H14 | 111.1° | 110.3° |
| C11 | C10 | C9 | 103.9° | 105.0° |
| C11 | C10 | F1 | 111.1° | 110.3° |
| C11 | C10 | H15 | 110.2° | 110.4° |
| C10 | C11 | H16 | 110.2° | 110.4° |
| C10 | C11 | H17 | 110.2° | 110.4° |
| O2 | C7 | N2 | 123.0° | 120.0° |
| C7 | N2 | C6 | 122.7° | 120.0° |
| C7 | N2 | H5 | 118.7° | 119.9° |
| C9 | C10 | F1 | 109.3° | 110.3° |
| C10 | C9 | H13 | 111.1° | 110.3° |
| C10 | C9 | H14 | 111.1° | 110.3° |
| C9 | C10 | H15 | 110.1° | 110.3° |
| N2 | C6 | C5 | 113.4° | 111.0° |
| N2 | C6 | C12 | 113.5° | 111.0° |
| C6 | N2 | H5 | 118.6° | 120.0° |
| N2 | C6 | H11 | 109.0° | 110.9° |
| F1 | C10 | H15 | 112.0° | 110.3° |
| C5 | C6 | C12 | 104.2° | 101.6° |
| C6 | C5 | N1 | 103.5° | 104.8° |
| C6 | C5 | H9 | 110.9° | 110.3° |
| C6 | C5 | H10 | 110.9° | 110.5° |
| C5 | C6 | H11 | 108.1° | 111.0° |
| C6 | C12 | C13 | 104.1° | 103.0° |
| C12 | C6 | H11 | 108.3° | 111.1° |
| C6 | C12 | H18 | 110.8° | 110.7° |
| C6 | C12 | H19 | 110.8° | 110.7° |
| C5 | N1 | C13 | 112.0° | 108.7° |
| C5 | N1 | C4 | 123.6° | 125.6° |
| N1 | C5 | H9 | 110.9° | 110.4° |
| N1 | C5 | H10 | 111.0° | 110.4° |
| C12 | C13 | N1 | 103.0° | 107.2° |
| C12 | C13 | C14 | 113.1° | 110.1° |
| C13 | C12 | H18 | 110.8° | 110.7° |
| C13 | C12 | H19 | 110.8° | 110.8° |
| C12 | C13 | H20 | 109.1° | 109.6° |
| C13 | N1 | C4 | 124.4° | 125.6° |
| N1 | C13 | C14 | 112.8° | 109.9° |
| N1 | C13 | H20 | 109.6° | 109.9° |
| N1 | C4 | O1 | 120.1° | 120.0° |
| N1 | C4 | C2 | 118.1° | 120.0° |
| C13 | C14 | N4 | 111.0° | 109.5° |
| C14 | C13 | H20 | 109.0° | 110.0° |
| C13 | C14 | H21 | 109.1° | 109.4° |
| C13 | C14 | H22 | 109.1° | 109.5° |
| O1 | C4 | C2 | 121.8° | 120.0° |
| C14 | N4 | C15 | 123.3° | 120.0° |
| N4 | C14 | H21 | 109.1° | 109.5° |
| N4 | C14 | H22 | 109.1° | 109.5° |
| C14 | N4 | H25 | 118.3° | 119.9° |
| C4 | C2 | C3 | 109.8° | 109.5° |
| C4 | C2 | C1 | 109.8° | 109.5° |
| C4 | C2 | H4 | 108.8° | 109.5° |
| N4 | C15 | O3 | 121.6° | 120.0° |
| N4 | C15 | C16 | 117.0° | 120.0° |
| C15 | N4 | H25 | 118.3° | 120.1° |
| O3 | C15 | C16 | 121.4° | 120.0° |
| C15 | C16 | C34 | 120.6° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C16 | C34 | C33 | 120.6° | 120.0° |
| C34 | C16 | C17 | 119.0° | 120.1° |
| C16 | C34 | H36 | 119.7° | 120.0° |
| C34 | C33 | C19 | 120.7° | 120.0° |
| C34 | C33 | H35 | 119.6° | 120.0° |
| C33 | C34 | H36 | 119.7° | 120.0° |
| C3 | C2 | C1 | 110.9° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.4° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C16 | C17 | C18 | 120.6° | 120.0° |
| C16 | C17 | H26 | 119.7° | 120.0° |
| C33 | C19 | C18 | 118.3° | 120.0° |
| C33 | C19 | C20 | 120.9° | 120.0° |
| C19 | C33 | H35 | 119.6° | 120.1° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C18 | C17 | H26 | 119.7° | 120.1° |
| C17 | C18 | H27 | 119.7° | 119.9° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C19 | C18 | H27 | 119.6° | 120.0° |
| C19 | C20 | C21 | 175.7° | 180.0° |
| C20 | C21 | C22 | 175.5° | 179.9° |
| C21 | C22 | C23 | 121.0° | 120.2° |
| C21 | C22 | C32 | 120.6° | 120.2° |
| C23 | C22 | C32 | 118.3° | 119.6° |
| C22 | C23 | C24 | 120.6° | 119.9° |
| C22 | C23 | H28 | 119.7° | 120.1° |
| C22 | C32 | C31 | 120.9° | 119.9° |
| C22 | C32 | H34 | 119.6° | 120.1° |
| C23 | C24 | C25 | 120.6° | 120.1° |
| C24 | C23 | H28 | 119.7° | 120.1° |
| C23 | C24 | H29 | 119.7° | 119.9° |
| C32 | C31 | C25 | 120.9° | 120.1° |
| C32 | C31 | H33 | 119.5° | 119.9° |
| C31 | C32 | H34 | 119.6° | 120.1° |
| C24 | C25 | C31 | 118.7° | 120.4° |
| C24 | C25 | C26 | 120.7° | 119.8° |
| C25 | C24 | H29 | 119.7° | 119.9° |
| C31 | C25 | C26 | 120.6° | 119.9° |
| C25 | C31 | H33 | 119.5° | 119.9° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.5° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 110.3° |
| H13 | C9 | H14 | 109.5° | 110.3° |
| H16 | C11 | H17 | 109.4° | 110.4° |
| H18 | C12 | H19 | 109.5° | 110.8° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.4° | 109.4° |
| H30 | C26 | H32 | 109.4° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N3 | C11 | H23 | 119.9° | 119.5° |
| N3 | C8 | C7 | C9 | 114.3° | 115.1° |
| N3 | C8 | C7 | H12 | 123.3° | 122.5° |
| N3 | C8 | C9 | H12 | 118.0° | 118.9° |
| C8 | N3 | C11 | C10 | 7.0° | 39.5° |
| N3 | C8 | C7 | O2 | 0.8° | 15.1° |
| N3 | C8 | C7 | N2 | 178.5° | 164.9° |
| N3 | C8 | C9 | C10 | 38.4° | 23.8° |
| N3 | C8 | C9 | H13 | 157.3° | 95.0° |
| N3 | C8 | C9 | H14 | 80.5° | 142.8° |
| C8 | N3 | C11 | H16 | 126.5° | 158.3° |
| C8 | N3 | C11 | H17 | 112.6° | 79.3° |
| C11 | N3 | C8 | C7 | 91.4° | 158.3° |
| C11 | N3 | C8 | C9 | 28.3° | 39.5° |
| N3 | C11 | C10 | H16 | 119.5° | 118.7° |
| N3 | C11 | C10 | H17 | 119.5° | 118.9° |
| N3 | C11 | C10 | C9 | 17.5° | 23.9° |
| N3 | C11 | C10 | F1 | 99.9° | 95.0° |
| C11 | N3 | C8 | H12 | 145.7° | 79.3° |
| N3 | C11 | C10 | H15 | 135.4° | 142.8° |
| N3 | C11 | H16 | H17 | 121.4° | 122.5° |
| C7 | C8 | C9 | H12 | 122.4° | 122.3° |
| C8 | C7 | O2 | N2 | 179.2° | 180.0° |
| C7 | C8 | C9 | C10 | 81.2° | 142.6° |
| C8 | C7 | N2 | C6 | 177.6° | 180.0° |
| C8 | C7 | N2 | H5 | 2.4° | 0.0° |
| C7 | C8 | C9 | H13 | 37.7° | 23.7° |
| C7 | C8 | C9 | H14 | 159.8° | 98.4° |
| C7 | C8 | N3 | H23 | 148.7° | 82.2° |
| C8 | C9 | C10 | C11 | 34.3° | 0.0° |
| C9 | C8 | C7 | O2 | 113.5° | 100.0° |
| C9 | C8 | C7 | N2 | 67.2° | 80.0° |
| C8 | C9 | C10 | H13 | 118.9° | 118.9° |
| C8 | C9 | C10 | H14 | 118.9° | 118.9° |
| C8 | C9 | C10 | F1 | 84.4° | 118.9° |
| C8 | C9 | H13 | H14 | 123.0° | 122.2° |
| C8 | C9 | C10 | H15 | 152.2° | 119.0° |
| C9 | C8 | N3 | H23 | 91.6° | 159.0° |
| C11 | C10 | C9 | F1 | 118.6° | 118.9° |
| C11 | C10 | C9 | H15 | 118.0° | 119.0° |
| C11 | C10 | F1 | H15 | 123.6° | 122.3° |
| C11 | C10 | C9 | H13 | 153.2° | 118.9° |
| C11 | C10 | C9 | H14 | 84.7° | 118.9° |
| C10 | C11 | H16 | H17 | 121.4° | 122.4° |
| C10 | C11 | N3 | H23 | 112.9° | 159.0° |
| O2 | C7 | N2 | C6 | 1.7° | 0.0° |
| O2 | C7 | N2 | H5 | 178.3° | 180.0° |
| O2 | C7 | C8 | H12 | 124.1° | 137.6° |
| C7 | N2 | C6 | H5 | 180.0° | 180.0° |
| C7 | N2 | C6 | C5 | 171.7° | 86.5° |
| C7 | N2 | C6 | C12 | 69.6° | 161.3° |
| C7 | N2 | C6 | H11 | 51.2° | 37.4° |
| N2 | C7 | C8 | H12 | 55.1° | 42.3° |
| C9 | C10 | F1 | H15 | 122.3° | 122.1° |
| C10 | C9 | C8 | H12 | 156.4° | 95.0° |
| C10 | C9 | H13 | H14 | 123.1° | 122.2° |
| C9 | C10 | C11 | H16 | 102.1° | 142.6° |
| C9 | C10 | C11 | H17 | 137.0° | 95.0° |
| N2 | C6 | C5 | C12 | 123.9° | 118.1° |
| N2 | C6 | C5 | H11 | 121.0° | 123.8° |
| N2 | C6 | C12 | H11 | 121.2° | 123.8° |
| N2 | C6 | C5 | N1 | 96.3° | 155.1° |
| N2 | C6 | C12 | C13 | 87.0° | 153.5° |
| N2 | C6 | C5 | H9 | 144.7° | 36.2° |
| N2 | C6 | C5 | H10 | 22.8° | 86.0° |
| N2 | C6 | C12 | H18 | 32.2° | 35.2° |
| N2 | C6 | C12 | H19 | 153.9° | 88.0° |
| F1 | C10 | C9 | H13 | 34.6° | 0.1° |
| F1 | C10 | C9 | H14 | 156.7° | 122.2° |
| F1 | C10 | C11 | H16 | 140.5° | 23.7° |
| F1 | C10 | C11 | H17 | 19.6° | 146.1° |
| C5 | C6 | C12 | H11 | 114.9° | 118.1° |
| C6 | C5 | N1 | H9 | 119.0° | 118.8° |
| C6 | C5 | N1 | H10 | 119.0° | 118.9° |
| C5 | C6 | C12 | C13 | 36.9° | 35.5° |
| C6 | C5 | N1 | C13 | 8.4° | 24.1° |
| C6 | C5 | N1 | C4 | 172.5° | 155.6° |
| C5 | C6 | N2 | H5 | 8.3° | 93.6° |
| C6 | C5 | H9 | H10 | 122.8° | 122.3° |
| C5 | C6 | C12 | H18 | 156.0° | 82.8° |
| C5 | C6 | C12 | H19 | 82.3° | 153.9° |
| C12 | C6 | C5 | N1 | 27.6° | 37.0° |
| C6 | C12 | C13 | H18 | 119.1° | 118.4° |
| C6 | C12 | C13 | H19 | 119.2° | 118.4° |
| C6 | C12 | C13 | N1 | 31.0° | 22.2° |
| C6 | C12 | C13 | C14 | 91.0° | 141.7° |
| C12 | C6 | N2 | H5 | 110.4° | 18.6° |
| C12 | C6 | C5 | H9 | 91.4° | 81.8° |
| C12 | C6 | C5 | H10 | 146.7° | 155.9° |
| C6 | C12 | H18 | H19 | 122.5° | 123.2° |
| C6 | C12 | C13 | H20 | 147.4° | 97.1° |
| C5 | N1 | C13 | C12 | 14.1° | 1.1° |
| C5 | N1 | C13 | C4 | 179.1° | 179.7° |
| C5 | N1 | C13 | C14 | 108.1° | 118.6° |
| C5 | N1 | C4 | O1 | 0.5° | 177.0° |
| C5 | N1 | C4 | C2 | 179.9° | 3.0° |
| N1 | C5 | H9 | H10 | 122.8° | 122.3° |
| N1 | C5 | C6 | H11 | 142.6° | 81.2° |
| C5 | N1 | C13 | H20 | 130.1° | 120.2° |
| C12 | C13 | N1 | C14 | 122.3° | 119.7° |
| C12 | C13 | N1 | H20 | 116.0° | 119.1° |
| C12 | C13 | N1 | C4 | 164.9° | 178.7° |
| C12 | C13 | C14 | H20 | 121.5° | 120.9° |
| C12 | C13 | C14 | N4 | 84.2° | 162.1° |
| C13 | C12 | C6 | H11 | 151.8° | 82.6° |
| C13 | C12 | H18 | H19 | 122.5° | 123.3° |
| C12 | C13 | C14 | H21 | 155.6° | 78.0° |
| C12 | C13 | C14 | H22 | 36.0° | 42.0° |
| N1 | C13 | C14 | H20 | 122.1° | 121.1° |
| C13 | N1 | C4 | O1 | 178.4° | 3.3° |
| N1 | C13 | C14 | N4 | 159.4° | 80.0° |
| C13 | N1 | C4 | C2 | 1.1° | 176.7° |
| C13 | N1 | C5 | H9 | 110.7° | 94.7° |
| C13 | N1 | C5 | H10 | 127.4° | 143.1° |
| N1 | C13 | C12 | H18 | 150.2° | 96.2° |
| N1 | C13 | C12 | H19 | 88.2° | 140.6° |
| N1 | C13 | C14 | H21 | 39.2° | 40.0° |
| N1 | C13 | C14 | H22 | 80.3° | 159.9° |
| C4 | N1 | C13 | C14 | 72.8° | 61.7° |
| N1 | C4 | O1 | C2 | 179.5° | 180.0° |
| N1 | C4 | C2 | C3 | 131.6° | 72.5° |
| N1 | C4 | C2 | C1 | 106.2° | 167.4° |
| N1 | C4 | C2 | H4 | 12.7° | 47.4° |
| C4 | N1 | C5 | H9 | 68.4° | 85.6° |
| C4 | N1 | C5 | H10 | 53.5° | 36.7° |
| C4 | N1 | C13 | H20 | 49.0° | 59.5° |
| C13 | C14 | N4 | H21 | 120.2° | 120.0° |
| C13 | C14 | N4 | H22 | 120.2° | 120.0° |
| C13 | C14 | N4 | C15 | 178.6° | 174.0° |
| C14 | C13 | C12 | H18 | 28.1° | 23.4° |
| C14 | C13 | C12 | H19 | 149.8° | 99.9° |
| C13 | C14 | H21 | H22 | 119.3° | 120.0° |
| C13 | C14 | N4 | H25 | 1.3° | 6.1° |
| O1 | C4 | C2 | C3 | 48.9° | 107.4° |
| O1 | C4 | C2 | C1 | 73.3° | 12.6° |
| O1 | C4 | C2 | H4 | 167.7° | 132.6° |
| C14 | N4 | C15 | H25 | 180.0° | 179.9° |
| C14 | N4 | C15 | O3 | 0.1° | 0.1° |
| C14 | N4 | C15 | C16 | 179.9° | 180.0° |
| N4 | C14 | C13 | H20 | 37.4° | 41.1° |
| N4 | C14 | H21 | H22 | 119.3° | 120.0° |
| C4 | C2 | C3 | C1 | 121.5° | 120.0° |
| C4 | C2 | C3 | H4 | 118.9° | 120.0° |
| C4 | C2 | C1 | H4 | 118.9° | 120.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C4 | C2 | C3 | H6 | 180.0° | 66.4° |
| C4 | C2 | C3 | H7 | 60.0° | 53.6° |
| C4 | C2 | C3 | H8 | 60.0° | 173.6° |
| N4 | C15 | O3 | C16 | 179.9° | 180.0° |
| N4 | C15 | C16 | C34 | 59.1° | 0.3° |
| N4 | C15 | C16 | C17 | 120.8° | 179.9° |
| C15 | N4 | C14 | H21 | 61.1° | 54.0° |
| C15 | N4 | C14 | H22 | 58.4° | 66.0° |
| O3 | C15 | C16 | C34 | 121.0° | 179.8° |
| O3 | C15 | C16 | C17 | 59.1° | 0.0° |
| O3 | C15 | N4 | H25 | 179.9° | 180.0° |
| C15 | C16 | C34 | C17 | 179.9° | 179.8° |
| C15 | C16 | C34 | C33 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C15 | N4 | H25 | 0.1° | 0.1° |
| C15 | C16 | C17 | H26 | 0.0° | 0.0° |
| C15 | C16 | C34 | H36 | 0.0° | 0.0° |
| C16 | C34 | C33 | H36 | 180.0° | 179.8° |
| C16 | C34 | C33 | C19 | 0.1° | 0.6° |
| C34 | C16 | C17 | C18 | 0.1° | 0.2° |
| C34 | C16 | C17 | H26 | 179.9° | 179.8° |
| C16 | C34 | C33 | H35 | 179.9° | 179.8° |
| C33 | C34 | C16 | C17 | 0.1° | 0.5° |
| C34 | C33 | C19 | H35 | 180.0° | 179.7° |
| C34 | C33 | C19 | C18 | 0.1° | 0.4° |
| C34 | C33 | C19 | C20 | 179.7° | 179.7° |
| C3 | C2 | C1 | H4 | 119.5° | 120.0° |
| C3 | C2 | C1 | H1 | 58.5° | 60.0° |
| C3 | C2 | C1 | H2 | 178.5° | 180.0° |
| C3 | C2 | C1 | H3 | 61.5° | 60.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.1° |
| C2 | C3 | H6 | H8 | 120.0° | 119.9° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 58.5° | 53.6° |
| C1 | C2 | C3 | H7 | 61.5° | 173.7° |
| C1 | C2 | C3 | H8 | 178.5° | 66.3° |
| C16 | C17 | C18 | H26 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H27 | 180.0° | 180.0° |
| C17 | C16 | C34 | H36 | 179.9° | 179.8° |
| C33 | C19 | C18 | C17 | 0.1° | 0.1° |
| C33 | C19 | C18 | C20 | 179.7° | 179.9° |
| C33 | C19 | C20 | C21 | 178.5° | 14.9° |
| C33 | C19 | C18 | H27 | 179.9° | 179.9° |
| C19 | C33 | C34 | H36 | 180.0° | 179.7° |
| C17 | C18 | C19 | H27 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 1.2° | 165.2° |
| C19 | C18 | C17 | H26 | 180.0° | 180.0° |
| C18 | C19 | C33 | H35 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 66.1° | 148.4° |
| C20 | C19 | C18 | H27 | 0.2° | 0.0° |
| C20 | C19 | C33 | H35 | 0.3° | 0.1° |
| C20 | C21 | C22 | C23 | 73.8° | 163.3° |
| C20 | C21 | C22 | C32 | 105.9° | 17.0° |
| C21 | C22 | C23 | C32 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C32 | C31 | 179.9° | 179.7° |
| C21 | C22 | C23 | H28 | 0.1° | 0.1° |
| C21 | C22 | C32 | H34 | 0.1° | 0.0° |
| C22 | C23 | C24 | H28 | 180.0° | 179.9° |
| C23 | C22 | C32 | C31 | 0.1° | 0.6° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H29 | 179.9° | 179.9° |
| C23 | C22 | C32 | H34 | 179.8° | 179.7° |
| C32 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C32 | C31 | H34 | 180.0° | 179.8° |
| C22 | C32 | C31 | C25 | 0.1° | 0.5° |
| C32 | C22 | C23 | H28 | 179.8° | 179.8° |
| C22 | C32 | C31 | H33 | 179.9° | 179.8° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | C31 | 0.0° | 0.0° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C32 | C31 | C25 | C24 | 0.0° | 0.2° |
| C32 | C31 | C25 | H33 | 180.0° | 179.7° |
| C32 | C31 | C25 | C26 | 180.0° | 179.7° |
| C24 | C25 | C31 | C26 | 180.0° | 180.0° |
| C25 | C24 | C23 | H28 | 179.9° | 179.9° |
| C24 | C25 | C26 | H30 | 90.0° | 90.0° |
| C24 | C25 | C26 | H31 | 150.0° | 150.0° |
| C24 | C25 | C26 | H32 | 30.0° | 30.0° |
| C24 | C25 | C31 | H33 | 180.0° | 179.9° |
| C31 | C25 | C24 | H29 | 180.0° | 180.0° |
| C31 | C25 | C26 | H30 | 90.0° | 89.9° |
| C31 | C25 | C26 | H31 | 30.0° | 30.0° |
| C31 | C25 | C26 | H32 | 150.0° | 150.0° |
| C25 | C31 | C32 | H34 | 179.9° | 179.7° |
| C26 | C25 | C24 | H29 | 0.0° | 0.0° |
| C25 | C26 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H32 | 120.0° | 120.1° |
| C25 | C26 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | C31 | H33 | 0.0° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 61.1° | 60.0° |
| H2 | C1 | C2 | H4 | 59.0° | 60.0° |
| H3 | C1 | C2 | H4 | 178.9° | 179.9° |
| H4 | C2 | C3 | H6 | 61.1° | 173.6° |
| H4 | C2 | C3 | H7 | 178.9° | 66.3° |
| H4 | C2 | C3 | H8 | 59.0° | 53.6° |
| H5 | N2 | C6 | H11 | 128.8° | 142.6° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H11 | 23.6° | 160.0° |
| H10 | C5 | C6 | H11 | 98.3° | 37.7° |
| H11 | C6 | C12 | H18 | 89.0° | 159.0° |
| H11 | C6 | C12 | H19 | 32.7° | 35.8° |
| H12 | C8 | C9 | H13 | 84.7° | 146.1° |
| H12 | C8 | C9 | H14 | 37.4° | 23.9° |
| H12 | C8 | N3 | H23 | 25.8° | 40.2° |
| H13 | C9 | C10 | H15 | 88.8° | 122.1° |
| H14 | C9 | C10 | H15 | 33.3° | 0.1° |
| H15 | C10 | C11 | H16 | 15.9° | 98.5° |
| H15 | C10 | C11 | H17 | 105.1° | 23.9° |
| H16 | C11 | N3 | H23 | 6.6° | 82.2° |
| H17 | C11 | N3 | H23 | 127.5° | 40.2° |
| H18 | C12 | C13 | H20 | 93.4° | 144.5° |
| H19 | C12 | C13 | H20 | 28.2° | 21.3° |
| H20 | C13 | C14 | H21 | 82.9° | 161.1° |
| H20 | C13 | C14 | H22 | 157.6° | 78.9° |
| H21 | C14 | N4 | H25 | 118.9° | 126.1° |
| H22 | C14 | N4 | H25 | 121.6° | 114.0° |
| H26 | C17 | C18 | H27 | 0.0° | 0.0° |
| H28 | C23 | C24 | H29 | 0.1° | 0.0° |
| H30 | C26 | H31 | H32 | 120.0° | 120.0° |
| H33 | C31 | C32 | H34 | 0.1° | 0.0° |
| H35 | C33 | C34 | H36 | 0.1° | 0.0° |
