NVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | O22 | sing | 1.43Å | 1.50Å | |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.48Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| C35 | O34 | sing | 1.43Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C33 | C12 | sing | 1.51Å | 1.60Å | |
| C13 | N14 | doub | 1.32Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| O22 | P23 | sing | 1.61Å | 1.66Å | |
| O34 | P23 | sing | 1.61Å | 1.64Å | |
| N14 | C15 | sing | 1.32Å | 1.41Å | Aromatic |
| O25 | C26 | sing | 1.36Å | 1.38Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| C29 | C32 | sing | 1.51Å | 1.54Å | |
| C29 | C30 | doub | 1.38Å | 1.46Å | Aromatic |
| C26 | C31 | doub | 1.39Å | 1.49Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.46Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| P23 | C24 | sing | 1.82Å | 1.80Å | |
| P23 | O37 | doub | 1.48Å | 1.50Å | |
| C30 | C31 | sing | 1.38Å | 1.45Å | Aromatic |
| C15 | N3 | sing | 1.39Å | 1.44Å | |
| C15 | C10 | doub | 1.41Å | 1.45Å | Aromatic |
| C2 | N3 | sing | 1.47Å | 1.50Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| N3 | C4 | sing | 1.39Å | 1.43Å | |
| C10 | C8 | sing | 1.47Å | 1.47Å | |
| N19 | C4 | doub | 1.33Å | 1.40Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.46Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C8 | O9 | doub | 1.22Å | 1.25Å | |
| C8 | N6 | sing | 1.32Å | 1.38Å | |
| C5 | N6 | sing | 1.39Å | 1.43Å | |
| C5 | C16 | doub | 1.39Å | 1.45Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.51Å | |
| C17 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| 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 | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | O22 | 112.2° | 109.4° |
| C21 | C20 | H14 | 109.5° | 109.5° |
| C21 | C20 | H15 | 109.5° | 109.4° |
| C21 | C20 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 108.8° | 109.5° |
| C20 | C21 | H18 | 108.8° | 109.5° |
| C21 | O22 | P23 | 115.7° | 123.0° |
| O22 | C21 | H17 | 108.8° | 109.4° |
| O22 | C21 | H18 | 108.8° | 109.4° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C28 | C27 | C26 | 120.7° | 120.0° |
| C28 | C27 | H21 | 119.6° | 120.0° |
| C27 | C28 | H22 | 120.0° | 120.1° |
| C28 | C29 | C32 | 121.7° | 119.9° |
| C28 | C29 | C30 | 120.1° | 120.1° |
| C29 | C28 | H22 | 119.9° | 119.9° |
| C27 | C26 | O25 | 115.3° | 120.1° |
| C27 | C26 | C31 | 120.2° | 119.9° |
| C26 | C27 | H21 | 119.7° | 120.0° |
| O34 | C35 | C36 | 115.2° | 109.5° |
| C35 | O34 | P23 | 113.2° | 123.0° |
| O34 | C35 | H29 | 108.0° | 109.5° |
| O34 | C35 | H30 | 108.0° | 109.4° |
| C36 | C35 | H29 | 108.0° | 109.5° |
| C36 | C35 | H30 | 108.0° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.5° |
| C35 | C36 | H33 | 109.5° | 109.5° |
| C32 | C33 | C12 | 109.4° | 109.5° |
| C33 | C32 | C29 | 115.8° | 109.5° |
| C33 | C32 | H25 | 107.9° | 109.5° |
| C33 | C32 | H26 | 107.9° | 109.4° |
| C32 | C33 | H27 | 109.5° | 109.5° |
| C32 | C33 | H28 | 109.5° | 109.5° |
| C33 | C12 | C13 | 114.1° | 120.3° |
| C33 | C12 | C11 | 126.4° | 120.3° |
| C12 | C33 | H27 | 109.5° | 109.5° |
| C12 | C33 | H28 | 109.5° | 109.5° |
| N14 | C13 | C12 | 118.8° | 121.2° |
| C13 | N14 | C15 | 124.8° | 121.9° |
| N14 | C13 | H10 | 120.6° | 119.4° |
| C13 | C12 | C11 | 119.5° | 119.4° |
| C12 | C13 | H10 | 120.6° | 119.4° |
| O22 | P23 | O34 | 109.8° | 109.5° |
| O22 | P23 | C24 | 105.1° | 109.5° |
| O22 | P23 | O37 | 112.9° | 109.4° |
| O34 | P23 | C24 | 112.4° | 109.5° |
| O34 | P23 | O37 | 111.2° | 109.5° |
| N14 | C15 | N3 | 118.7° | 120.1° |
| N14 | C15 | C10 | 118.8° | 120.3° |
| C26 | O25 | C24 | 116.8° | 117.0° |
| O25 | C26 | C31 | 124.5° | 120.1° |
| O25 | C24 | P23 | 107.8° | 109.5° |
| O25 | C24 | H19 | 109.9° | 109.4° |
| O25 | C24 | H20 | 109.9° | 109.4° |
| C32 | C29 | C30 | 118.2° | 120.0° |
| C29 | C32 | H25 | 107.9° | 109.4° |
| C29 | C32 | H26 | 107.9° | 109.5° |
| C29 | C30 | C31 | 119.8° | 120.1° |
| C29 | C30 | H23 | 120.0° | 120.0° |
| C26 | C31 | C30 | 119.1° | 120.0° |
| C26 | C31 | H24 | 120.5° | 120.0° |
| C12 | C11 | C10 | 120.8° | 118.4° |
| C12 | C11 | H9 | 119.6° | 120.8° |
| C1 | C2 | N3 | 118.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.2° | 109.5° |
| C1 | C2 | H5 | 107.1° | 109.5° |
| C24 | P23 | O37 | 105.3° | 109.5° |
| P23 | C24 | H19 | 109.9° | 109.5° |
| P23 | C24 | H20 | 109.9° | 109.5° |
| C31 | C30 | H23 | 120.1° | 120.0° |
| C30 | C31 | H24 | 120.5° | 120.0° |
| N3 | C15 | C10 | 122.5° | 119.6° |
| C15 | N3 | C2 | 124.8° | 120.4° |
| C15 | N3 | C4 | 114.8° | 119.2° |
| C15 | C10 | C11 | 117.3° | 118.7° |
| C15 | C10 | C8 | 124.3° | 121.2° |
| C2 | N3 | C4 | 120.2° | 120.5° |
| N3 | C2 | H4 | 107.1° | 109.4° |
| N3 | C2 | H5 | 107.1° | 109.5° |
| C11 | C10 | C8 | 118.4° | 120.1° |
| C10 | C11 | H9 | 119.6° | 120.8° |
| N3 | C4 | N19 | 117.3° | 118.8° |
| N3 | C4 | C5 | 123.5° | 121.0° |
| C10 | C8 | O9 | 116.2° | 117.1° |
| C10 | C8 | N6 | 123.8° | 125.8° |
| C4 | N19 | C18 | 123.2° | 121.9° |
| N19 | C4 | C5 | 119.1° | 120.2° |
| N19 | C18 | C17 | 119.9° | 120.9° |
| N19 | C18 | H13 | 120.1° | 119.6° |
| C4 | C5 | N6 | 122.9° | 121.7° |
| C4 | C5 | C16 | 117.4° | 119.0° |
| C18 | C17 | C16 | 118.5° | 119.3° |
| C18 | C17 | H12 | 120.8° | 120.4° |
| C17 | C18 | H13 | 120.0° | 119.5° |
| O9 | C8 | N6 | 120.0° | 117.1° |
| C8 | N6 | C5 | 127.9° | 126.8° |
| C8 | N6 | C7 | 116.4° | 116.6° |
| N6 | C5 | C16 | 119.8° | 119.3° |
| C5 | N6 | C7 | 115.7° | 116.6° |
| C5 | C16 | C17 | 121.9° | 118.6° |
| C5 | C16 | H11 | 119.0° | 120.7° |
| N6 | C7 | H6 | 109.5° | 109.4° |
| N6 | C7 | H7 | 109.5° | 109.5° |
| N6 | C7 | H8 | 109.5° | 109.5° |
| C17 | C16 | H11 | 119.1° | 120.7° |
| C16 | C17 | H12 | 120.8° | 120.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.4° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | O22 | H17 | 120.4° | 120.0° |
| C20 | C21 | O22 | H18 | 120.4° | 120.0° |
| C20 | C21 | O22 | P23 | 131.8° | 180.0° |
| C21 | C20 | H14 | H15 | 120.0° | 120.0° |
| C21 | C20 | H14 | H16 | 120.0° | 120.0° |
| C21 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 118.7° | 120.1° |
| C21 | O22 | P23 | O34 | 67.2° | 65.0° |
| C21 | O22 | P23 | C24 | 53.8° | 175.0° |
| C21 | O22 | P23 | O37 | 168.1° | 55.0° |
| O22 | C21 | C20 | H14 | 180.0° | 60.0° |
| O22 | C21 | C20 | H15 | 60.0° | 60.0° |
| O22 | C21 | C20 | H16 | 60.0° | 180.0° |
| O22 | C21 | H17 | H18 | 118.7° | 120.0° |
| C27 | C28 | C29 | H22 | 180.0° | 179.9° |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C28 | C27 | C26 | O25 | 179.6° | 180.0° |
| C27 | C28 | C29 | C32 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C26 | C31 | 0.0° | 0.3° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C28 | C29 | C32 | C33 | 44.7° | 90.0° |
| C28 | C29 | C32 | C30 | 179.9° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.2° |
| C29 | C28 | C27 | H21 | 179.9° | 180.0° |
| C28 | C29 | C30 | H23 | 180.0° | 179.9° |
| C28 | C29 | C32 | H25 | 165.6° | 150.0° |
| C28 | C29 | C32 | H26 | 76.2° | 30.0° |
| C27 | C26 | O25 | C31 | 179.6° | 179.7° |
| C27 | C26 | O25 | C24 | 146.4° | 0.3° |
| C27 | C26 | C31 | C30 | 0.0° | 0.5° |
| C26 | C27 | C28 | H22 | 179.9° | 180.0° |
| C27 | C26 | C31 | H24 | 180.0° | 179.7° |
| O34 | C35 | C36 | H29 | 120.8° | 120.0° |
| O34 | C35 | C36 | H30 | 120.8° | 120.0° |
| C35 | O34 | P23 | O22 | 51.1° | 65.0° |
| C35 | O34 | P23 | C24 | 167.7° | 175.0° |
| C35 | O34 | P23 | O37 | 74.6° | 55.0° |
| O34 | C35 | H29 | H30 | 117.4° | 120.0° |
| O34 | C35 | C36 | H31 | 180.0° | 60.0° |
| O34 | C35 | C36 | H32 | 60.0° | 60.1° |
| O34 | C35 | C36 | H33 | 60.0° | 180.0° |
| C36 | C35 | O34 | P23 | 84.8° | 180.0° |
| C36 | C35 | H29 | H30 | 117.4° | 120.0° |
| C35 | C36 | H31 | H32 | 120.0° | 120.0° |
| C35 | C36 | H31 | H33 | 120.0° | 120.0° |
| C35 | C36 | H32 | H33 | 120.0° | 120.0° |
| C32 | C33 | C12 | H27 | 120.0° | 120.0° |
| C32 | C33 | C12 | H28 | 120.0° | 120.0° |
| C32 | C33 | C12 | C13 | 158.8° | 90.0° |
| C33 | C32 | C29 | H25 | 120.9° | 120.0° |
| C33 | C32 | C29 | H26 | 120.9° | 119.9° |
| C33 | C32 | C29 | C30 | 135.1° | 90.0° |
| C32 | C33 | C12 | C11 | 21.8° | 90.0° |
| C33 | C32 | H25 | H26 | 117.1° | 120.0° |
| C32 | C33 | H27 | H28 | 120.0° | 120.0° |
| C33 | C12 | C13 | N14 | 179.1° | 178.6° |
| C33 | C12 | C13 | C11 | 179.5° | 180.0° |
| C12 | C33 | C32 | C29 | 73.6° | 180.0° |
| C33 | C12 | C11 | C10 | 179.1° | 179.8° |
| C33 | C12 | C11 | H9 | 0.9° | 0.3° |
| C33 | C12 | C13 | H10 | 0.9° | 1.6° |
| C12 | C33 | C32 | H25 | 47.3° | 60.0° |
| C12 | C33 | C32 | H26 | 165.5° | 60.0° |
| C12 | C33 | H27 | H28 | 120.0° | 120.0° |
| N14 | C13 | C12 | H10 | 180.0° | 179.8° |
| N14 | C13 | C12 | C11 | 0.4° | 1.3° |
| C13 | N14 | C15 | N3 | 178.8° | 176.5° |
| C13 | N14 | C15 | C10 | 0.2° | 2.6° |
| C12 | C13 | N14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.2° |
| C13 | C12 | C11 | H9 | 179.7° | 179.7° |
| C13 | C12 | C33 | H27 | 38.8° | 30.0° |
| C13 | C12 | C33 | H28 | 81.2° | 150.0° |
| O22 | P23 | O34 | C24 | 116.6° | 120.0° |
| O22 | P23 | O34 | O37 | 125.7° | 120.0° |
| O22 | P23 | C24 | O25 | 94.9° | 60.0° |
| O22 | P23 | C24 | O37 | 119.5° | 120.0° |
| P23 | O22 | C21 | H17 | 11.3° | 60.0° |
| P23 | O22 | C21 | H18 | 107.8° | 60.0° |
| O22 | P23 | C24 | H19 | 145.3° | 60.0° |
| O22 | P23 | C24 | H20 | 24.8° | 180.0° |
| O34 | P23 | C24 | O25 | 24.4° | 180.0° |
| O34 | P23 | C24 | O37 | 121.2° | 120.0° |
| O34 | P23 | C24 | H19 | 95.3° | 60.1° |
| O34 | P23 | C24 | H20 | 144.2° | 60.0° |
| P23 | O34 | C35 | H29 | 36.0° | 60.0° |
| P23 | O34 | C35 | H30 | 154.4° | 60.0° |
| N14 | C15 | N3 | C10 | 179.0° | 179.0° |
| N14 | C15 | N3 | C2 | 55.2° | 60.6° |
| N14 | C15 | C10 | C11 | 0.3° | 3.7° |
| N14 | C15 | N3 | C4 | 119.8° | 119.1° |
| N14 | C15 | C10 | C8 | 179.3° | 175.9° |
| C15 | N14 | C13 | H10 | 179.9° | 179.8° |
| C26 | O25 | C24 | P23 | 177.6° | 75.0° |
| O25 | C26 | C31 | C30 | 179.5° | 179.8° |
| C26 | O25 | C24 | H19 | 62.7° | 45.0° |
| C26 | O25 | C24 | H20 | 57.8° | 165.0° |
| O25 | C26 | C27 | H21 | 0.4° | 0.1° |
| O25 | C26 | C31 | H24 | 0.4° | 0.0° |
| C24 | O25 | C26 | C31 | 33.2° | 180.0° |
| O25 | C24 | P23 | H19 | 119.7° | 119.9° |
| O25 | C24 | P23 | H20 | 119.7° | 120.0° |
| O25 | C24 | P23 | O37 | 145.6° | 60.0° |
| O25 | C24 | H19 | H20 | 120.8° | 120.0° |
| C32 | C29 | C30 | C31 | 179.9° | 179.8° |
| C32 | C29 | C28 | H22 | 0.0° | 0.0° |
| C32 | C29 | C30 | H23 | 0.1° | 0.1° |
| C29 | C32 | H25 | H26 | 117.2° | 120.0° |
| C29 | C32 | C33 | H27 | 46.3° | 60.0° |
| C29 | C32 | C33 | H28 | 166.4° | 60.0° |
| C29 | C30 | C31 | C26 | 0.0° | 0.5° |
| C29 | C30 | C31 | H23 | 180.0° | 179.8° |
| C30 | C29 | C28 | H22 | 179.9° | 180.0° |
| C29 | C30 | C31 | H24 | 180.0° | 179.8° |
| C30 | C29 | C32 | H25 | 14.2° | 30.0° |
| C30 | C29 | C32 | H26 | 104.0° | 150.0° |
| C26 | C31 | C30 | H24 | 180.0° | 179.7° |
| C31 | C26 | C27 | H21 | 180.0° | 179.8° |
| C26 | C31 | C30 | H23 | 180.0° | 179.7° |
| C12 | C11 | C10 | C15 | 0.1° | 2.3° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C8 | 179.2° | 177.3° |
| C11 | C12 | C13 | H10 | 179.6° | 178.4° |
| C11 | C12 | C33 | H27 | 141.8° | 150.0° |
| C11 | C12 | C33 | H28 | 98.2° | 30.0° |
| C1 | C2 | N3 | C15 | 12.3° | 90.3° |
| C1 | C2 | N3 | H4 | 121.3° | 120.0° |
| C1 | C2 | N3 | H5 | 121.3° | 120.1° |
| C1 | C2 | N3 | C4 | 172.9° | 90.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 115.9° | 120.0° |
| P23 | C24 | H19 | H20 | 120.8° | 120.1° |
| O37 | P23 | C24 | H19 | 25.9° | 179.9° |
| O37 | P23 | C24 | H20 | 94.7° | 60.0° |
| C15 | N3 | C2 | C4 | 174.8° | 179.7° |
| N3 | C15 | C10 | C11 | 178.7° | 175.4° |
| N3 | C15 | C10 | C8 | 0.3° | 5.0° |
| C15 | N3 | C4 | N19 | 120.7° | 117.8° |
| C15 | N3 | C4 | C5 | 58.6° | 61.8° |
| C15 | N3 | C2 | H4 | 133.7° | 149.7° |
| C15 | N3 | C2 | H5 | 109.0° | 29.8° |
| C10 | C15 | N3 | C2 | 125.7° | 120.3° |
| C15 | C10 | C11 | C8 | 179.1° | 179.6° |
| C10 | C15 | N3 | C4 | 59.2° | 59.9° |
| C15 | C10 | C8 | O9 | 144.5° | 141.1° |
| C15 | C10 | C8 | N6 | 35.9° | 38.9° |
| C15 | C10 | C11 | H9 | 179.9° | 177.9° |
| C2 | N3 | C4 | N19 | 54.6° | 62.0° |
| C2 | N3 | C4 | C5 | 126.1° | 118.4° |
| N3 | C2 | C1 | H1 | 180.0° | 60.0° |
| N3 | C2 | C1 | H2 | 60.0° | 60.0° |
| N3 | C2 | C1 | H3 | 60.0° | 180.0° |
| N3 | C2 | H4 | H5 | 115.8° | 120.0° |
| C11 | C10 | C8 | O9 | 36.5° | 38.5° |
| C11 | C10 | C8 | N6 | 143.2° | 141.5° |
| N3 | C4 | N19 | C5 | 179.3° | 179.6° |
| N3 | C4 | N19 | C18 | 179.2° | 177.8° |
| N3 | C4 | C5 | N6 | 0.9° | 4.4° |
| N3 | C4 | C5 | C16 | 178.9° | 176.9° |
| C4 | N3 | C2 | H4 | 51.6° | 30.0° |
| C4 | N3 | C2 | H5 | 65.8° | 150.0° |
| C10 | C8 | O9 | N6 | 179.6° | 180.0° |
| C10 | C8 | N6 | C5 | 0.6° | 1.4° |
| C10 | C8 | N6 | C7 | 179.3° | 178.6° |
| C8 | C10 | C11 | H9 | 0.8° | 2.6° |
| C4 | N19 | C18 | C17 | 0.3° | 0.0° |
| N19 | C4 | C5 | N6 | 179.8° | 176.0° |
| N19 | C4 | C5 | C16 | 0.4° | 2.7° |
| C4 | N19 | C18 | H13 | 179.7° | 179.9° |
| C18 | N19 | C4 | C5 | 0.1° | 1.8° |
| N19 | C18 | C17 | H13 | 180.0° | 179.9° |
| N19 | C18 | C17 | C16 | 0.4° | 0.9° |
| N19 | C18 | C17 | H12 | 179.5° | 179.0° |
| C4 | C5 | N6 | C8 | 35.1° | 40.1° |
| C4 | C5 | N6 | C16 | 179.8° | 178.7° |
| C4 | C5 | N6 | C7 | 145.0° | 139.9° |
| C4 | C5 | C16 | C17 | 0.3° | 1.8° |
| C4 | C5 | C16 | H11 | 179.7° | 178.2° |
| C18 | C17 | C16 | C5 | 0.1° | 0.1° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H11 | 179.8° | 179.9° |
| O9 | C8 | N6 | C5 | 179.8° | 178.7° |
| O9 | C8 | N6 | C7 | 0.3° | 1.4° |
| C8 | N6 | C5 | C7 | 179.9° | 180.0° |
| C8 | N6 | C5 | C16 | 144.7° | 141.3° |
| C8 | N6 | C7 | H6 | 180.0° | 90.0° |
| C8 | N6 | C7 | H7 | 60.0° | 29.9° |
| C8 | N6 | C7 | H8 | 60.0° | 150.0° |
| N6 | C5 | C16 | C17 | 179.9° | 176.9° |
| C5 | N6 | C7 | H6 | 0.1° | 90.1° |
| C5 | N6 | C7 | H7 | 119.9° | 150.0° |
| C5 | N6 | C7 | H8 | 120.1° | 30.0° |
| N6 | C5 | C16 | H11 | 0.1° | 3.1° |
| C16 | C5 | N6 | C7 | 35.2° | 38.8° |
| C5 | C16 | C17 | H11 | 180.0° | 180.0° |
| C5 | C16 | C17 | H12 | 179.8° | 180.0° |
| N6 | C7 | H6 | H7 | 120.0° | 119.9° |
| N6 | C7 | H6 | H8 | 120.0° | 120.0° |
| N6 | C7 | H7 | H8 | 120.0° | 120.0° |
| C16 | C17 | C18 | H13 | 179.5° | 179.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 58.7° | 60.0° |
| H1 | C1 | C2 | H5 | 58.7° | 180.0° |
| H2 | C1 | C2 | H4 | 61.3° | 180.0° |
| H2 | C1 | C2 | H5 | 178.7° | 60.1° |
| H3 | C1 | C2 | H4 | 178.7° | 60.0° |
| H3 | C1 | C2 | H5 | 61.3° | 60.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H11 | C16 | C17 | H12 | 0.2° | 0.0° |
| H12 | C17 | C18 | H13 | 0.5° | 1.1° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H14 | C20 | C21 | H17 | 59.6° | 60.0° |
| H14 | C20 | C21 | H18 | 59.6° | 179.9° |
| H15 | C20 | C21 | H17 | 60.4° | 180.0° |
| H15 | C20 | C21 | H18 | 179.6° | 59.9° |
| H16 | C20 | C21 | H17 | 179.6° | 60.1° |
| H16 | C20 | C21 | H18 | 60.4° | 60.0° |
| H21 | C27 | C28 | H22 | 0.1° | 0.1° |
| H23 | C30 | C31 | H24 | 0.0° | 0.0° |
| H25 | C32 | C33 | H27 | 167.3° | 60.0° |
| H25 | C32 | C33 | H28 | 72.7° | 180.0° |
| H26 | C32 | C33 | H27 | 74.6° | 180.0° |
| H26 | C32 | C33 | H28 | 45.5° | 60.0° |
| H29 | C35 | C36 | H31 | 59.2° | 180.0° |
| H29 | C35 | C36 | H32 | 179.2° | 60.0° |
| H29 | C35 | C36 | H33 | 60.8° | 60.0° |
| H30 | C35 | C36 | H31 | 59.2° | 60.0° |
| H30 | C35 | C36 | H32 | 60.8° | 180.0° |
| H30 | C35 | C36 | H33 | 179.2° | 60.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
