A1A6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C26 | sing | 1.50Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.49Å | |
| C26 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| N32 | C25 | sing | 1.39Å | 1.49Å | |
| C25 | N24 | doub | 1.33Å | 1.32Å | Aromatic |
| C28 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| N24 | C23 | sing | 1.32Å | 1.31Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C19 | O18 | sing | 1.43Å | 1.38Å | |
| O18 | C17 | sing | 1.43Å | 1.38Å | |
| C17 | C33 | sing | 1.54Å | 1.53Å | |
| C17 | C16 | sing | 1.55Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C33 | N14 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | sing | 1.55Å | 1.53Å | |
| C10 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.48Å | 1.49Å | |
| N14 | C04 | sing | 1.47Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | O03 | doub | 1.21Å | 1.24Å | |
| C02 | O01 | sing | 1.34Å | 1.23Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O01 | H34 | sing | 0.97Å | 0.95Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| N32 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | C31 | 112.3° | 108.8° |
| C30 | C29 | C26 | 108.4° | 110.4° |
| C30 | C29 | H28 | 109.7° | 109.3° |
| C30 | C29 | H29 | 109.7° | 109.2° |
| C29 | C30 | H30 | 108.7° | 109.5° |
| C29 | C30 | H31 | 108.8° | 109.6° |
| C30 | C31 | N32 | 115.6° | 107.6° |
| C30 | C31 | H15 | 107.9° | 110.4° |
| C31 | C30 | H30 | 108.8° | 109.6° |
| C31 | C30 | H31 | 108.8° | 109.6° |
| C30 | C31 | H3 | 107.9° | 109.4° |
| C29 | C26 | C27 | 119.4° | 119.1° |
| C29 | C26 | C25 | 119.6° | 121.8° |
| C26 | C29 | H28 | 109.7° | 109.3° |
| C26 | C29 | H29 | 109.7° | 109.3° |
| C31 | N32 | C25 | 116.6° | 118.9° |
| N32 | C31 | H15 | 107.9° | 109.7° |
| N32 | C31 | H3 | 107.9° | 109.8° |
| C31 | N32 | H35 | 107.6° | 120.5° |
| C27 | C26 | C25 | 121.0° | 119.1° |
| C26 | C27 | C28 | 116.8° | 118.7° |
| C26 | C27 | H26 | 121.6° | 120.6° |
| C26 | C25 | N32 | 122.1° | 120.6° |
| C26 | C25 | N24 | 120.8° | 120.4° |
| C27 | C28 | C23 | 119.5° | 119.2° |
| C28 | C27 | H26 | 121.6° | 120.7° |
| C27 | C28 | H27 | 120.3° | 120.4° |
| N32 | C25 | N24 | 117.1° | 118.9° |
| C25 | N32 | H35 | 107.7° | 120.6° |
| C25 | N24 | C23 | 120.0° | 121.8° |
| C28 | C23 | N24 | 121.9° | 120.8° |
| C28 | C23 | C22 | 119.1° | 119.6° |
| C23 | C28 | H27 | 120.3° | 120.4° |
| N24 | C23 | C22 | 119.0° | 119.6° |
| C23 | C22 | C21 | 109.5° | 109.5° |
| C23 | C22 | H13 | 109.5° | 109.5° |
| C23 | C22 | H14 | 109.4° | 109.5° |
| C22 | C21 | C20 | 112.9° | 109.5° |
| C22 | C21 | H11 | 108.6° | 109.5° |
| C22 | C21 | H12 | 108.6° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.4° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C20 | C19 | 110.8° | 109.5° |
| C21 | C20 | H9 | 109.2° | 109.5° |
| C21 | C20 | H10 | 109.1° | 109.5° |
| C20 | C21 | H11 | 108.6° | 109.4° |
| C20 | C21 | H12 | 108.6° | 109.5° |
| C20 | C19 | O18 | 107.7° | 109.5° |
| C19 | C20 | H9 | 109.1° | 109.5° |
| C19 | C20 | H10 | 109.1° | 109.4° |
| C20 | C19 | H24 | 109.9° | 109.5° |
| C20 | C19 | H25 | 109.9° | 109.5° |
| C12 | C13 | C11 | 59.8° | 60.0° |
| C13 | C12 | C11 | 60.1° | 60.0° |
| C12 | C13 | H1 | 120.0° | 117.5° |
| C12 | C13 | H2 | 120.0° | 117.5° |
| C13 | C12 | H22 | 120.0° | 117.5° |
| C13 | C12 | H23 | 120.0° | 117.5° |
| C13 | C11 | C12 | 60.1° | 60.0° |
| C13 | C11 | C10 | 139.4° | 117.5° |
| C11 | C13 | H1 | 120.0° | 117.5° |
| C11 | C13 | H2 | 120.0° | 117.5° |
| C13 | C11 | H21 | 109.5° | 117.5° |
| C19 | O18 | C17 | 112.3° | 114.0° |
| O18 | C19 | H24 | 109.9° | 109.4° |
| O18 | C19 | H25 | 109.9° | 109.5° |
| O18 | C17 | C33 | 110.1° | 110.3° |
| O18 | C17 | C16 | 110.5° | 110.3° |
| O18 | C17 | H8 | 111.5° | 110.3° |
| C33 | C17 | C16 | 105.7° | 105.1° |
| C17 | C33 | N14 | 107.1° | 107.1° |
| C33 | C17 | H8 | 109.4° | 110.3° |
| C17 | C33 | H32 | 110.1° | 109.9° |
| C17 | C33 | H33 | 110.0° | 109.9° |
| C17 | C16 | C15 | 103.9° | 102.9° |
| C17 | C16 | H6 | 110.8° | 110.7° |
| C17 | C16 | H7 | 110.8° | 110.9° |
| C16 | C17 | H8 | 109.4° | 110.3° |
| C12 | C11 | C10 | 115.4° | 117.5° |
| C12 | C11 | H21 | 109.5° | 117.5° |
| C11 | C12 | H22 | 120.0° | 117.5° |
| C11 | C12 | H23 | 120.0° | 117.5° |
| C11 | C10 | C09 | 121.0° | 120.0° |
| C11 | C10 | C05 | 118.8° | 120.0° |
| C10 | C11 | H21 | 109.5° | 115.5° |
| C33 | N14 | C15 | 106.2° | 105.8° |
| C33 | N14 | C04 | 108.7° | 111.0° |
| N14 | C33 | H32 | 110.1° | 110.0° |
| N14 | C33 | H33 | 110.1° | 109.9° |
| C16 | C15 | N14 | 104.3° | 103.2° |
| C16 | C15 | H4 | 110.8° | 110.7° |
| C16 | C15 | H5 | 110.7° | 110.8° |
| C15 | C16 | H6 | 110.9° | 110.7° |
| C15 | C16 | H7 | 110.8° | 110.7° |
| C09 | C10 | C05 | 120.2° | 120.0° |
| C10 | C09 | C08 | 119.4° | 120.0° |
| C10 | C09 | H20 | 120.3° | 120.0° |
| C10 | C05 | C04 | 119.0° | 120.0° |
| C10 | C05 | C06 | 120.7° | 120.0° |
| C09 | C08 | C07 | 120.5° | 120.0° |
| C09 | C08 | H19 | 119.8° | 120.0° |
| C08 | C09 | H20 | 120.3° | 119.9° |
| C15 | N14 | C04 | 111.0° | 111.0° |
| N14 | C15 | H4 | 110.8° | 110.6° |
| N14 | C15 | H5 | 110.8° | 110.7° |
| N14 | C04 | C05 | 106.8° | 109.5° |
| N14 | C04 | C02 | 108.7° | 109.5° |
| N14 | C04 | H16 | 111.5° | 109.4° |
| C05 | C04 | C02 | 107.7° | 109.5° |
| C04 | C05 | C06 | 120.3° | 120.0° |
| C05 | C04 | H16 | 111.0° | 109.5° |
| C04 | C02 | O03 | 123.1° | 120.0° |
| C04 | C02 | O01 | 118.1° | 120.0° |
| C02 | C04 | H16 | 111.0° | 109.5° |
| C05 | C06 | C07 | 119.5° | 120.0° |
| C05 | C06 | H17 | 120.3° | 120.1° |
| C08 | C07 | C06 | 119.9° | 120.0° |
| C08 | C07 | H18 | 120.1° | 120.0° |
| C07 | C08 | H19 | 119.8° | 120.0° |
| C07 | C06 | H17 | 120.3° | 120.0° |
| C06 | C07 | H18 | 120.1° | 120.0° |
| O03 | C02 | O01 | 118.8° | 120.0° |
| C02 | O01 | H34 | 109.5° | 116.9° |
| H1 | C13 | H2 | 109.5° | 115.5° |
| H4 | C15 | H5 | 109.4° | 110.6° |
| H6 | C16 | H7 | 109.5° | 110.6° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H15 | C31 | H3 | 109.5° | 109.8° |
| H22 | C12 | H23 | 109.5° | 115.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.7° |
| H32 | C33 | H33 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | C31 | H30 | 120.4° | 119.7° |
| C29 | C30 | C31 | H31 | 120.4° | 119.8° |
| C30 | C29 | C26 | H28 | 119.8° | 120.2° |
| C30 | C29 | C26 | H29 | 119.9° | 120.1° |
| C29 | C30 | C31 | N32 | 40.9° | 63.4° |
| C30 | C29 | C26 | C27 | 141.7° | 159.8° |
| C30 | C29 | C26 | C25 | 37.5° | 20.2° |
| C29 | C30 | C31 | H15 | 80.0° | 56.3° |
| C30 | C29 | H28 | H29 | 120.5° | 119.5° |
| C29 | C30 | H30 | H31 | 118.7° | 120.3° |
| C29 | C30 | C31 | H3 | 161.8° | 177.3° |
| C31 | C30 | C29 | C26 | 57.1° | 50.9° |
| C30 | C31 | N32 | H15 | 120.9° | 120.2° |
| C30 | C31 | N32 | H3 | 120.9° | 119.0° |
| C30 | C31 | N32 | C25 | 2.5° | 45.7° |
| C30 | C31 | H15 | H3 | 117.2° | 120.8° |
| C31 | C30 | C29 | H28 | 176.9° | 69.4° |
| C31 | C30 | C29 | H29 | 62.8° | 171.0° |
| C31 | C30 | H30 | H31 | 118.7° | 120.4° |
| C30 | C31 | N32 | H35 | 123.6° | 134.9° |
| C29 | C26 | C27 | C25 | 179.2° | 180.0° |
| C29 | C26 | C27 | C28 | 179.7° | 179.6° |
| C29 | C26 | C25 | N32 | 0.5° | 0.7° |
| C29 | C26 | C25 | N24 | 179.7° | 179.5° |
| C29 | C26 | C27 | H26 | 0.3° | 0.1° |
| C26 | C29 | H28 | H29 | 120.5° | 119.6° |
| C26 | C29 | C30 | H30 | 177.5° | 68.9° |
| C26 | C29 | C30 | H31 | 63.3° | 170.7° |
| C31 | N32 | C25 | C26 | 19.4° | 14.6° |
| C31 | N32 | C25 | H35 | 121.0° | 179.4° |
| C31 | N32 | C25 | N24 | 160.9° | 165.7° |
| N32 | C31 | H15 | H3 | 117.2° | 120.8° |
| N32 | C31 | C30 | H30 | 161.3° | 56.3° |
| N32 | C31 | C30 | H31 | 79.5° | 176.7° |
| C26 | C27 | C28 | H26 | 180.0° | 179.7° |
| C27 | C26 | C25 | N32 | 179.7° | 179.2° |
| C27 | C26 | C25 | N24 | 0.6° | 0.5° |
| C26 | C27 | C28 | C23 | 0.4° | 0.0° |
| C26 | C27 | C28 | H27 | 179.6° | 180.0° |
| C27 | C26 | C29 | H28 | 21.9° | 80.0° |
| C27 | C26 | C29 | H29 | 98.4° | 39.7° |
| C25 | C26 | C27 | C28 | 0.5° | 0.4° |
| C26 | C25 | N32 | N24 | 179.7° | 179.7° |
| C26 | C25 | N24 | C23 | 0.4° | 0.1° |
| C25 | C26 | C27 | H26 | 179.5° | 179.9° |
| C25 | C26 | C29 | H28 | 157.3° | 100.0° |
| C25 | C26 | C29 | H29 | 82.4° | 140.3° |
| C26 | C25 | N32 | H35 | 101.6° | 166.1° |
| C27 | C28 | C23 | H27 | 180.0° | 180.0° |
| C27 | C28 | C23 | N24 | 0.2° | 0.4° |
| C27 | C28 | C23 | C22 | 179.4° | 179.9° |
| N32 | C25 | N24 | C23 | 179.8° | 179.6° |
| C25 | N32 | C31 | H15 | 118.4° | 74.5° |
| C25 | N32 | C31 | H3 | 123.4° | 164.7° |
| C25 | N24 | C23 | C28 | 0.3° | 0.3° |
| C25 | N24 | C23 | C22 | 179.3° | 180.0° |
| N24 | C25 | N32 | H35 | 78.1° | 13.7° |
| C28 | C23 | N24 | C22 | 179.6° | 179.7° |
| C28 | C23 | C22 | C21 | 99.5° | 125.0° |
| C28 | C23 | C22 | H13 | 20.5° | 5.0° |
| C28 | C23 | C22 | H14 | 140.5° | 115.0° |
| C23 | C28 | C27 | H26 | 179.7° | 179.7° |
| N24 | C23 | C22 | C21 | 80.1° | 55.3° |
| N24 | C23 | C22 | H13 | 160.0° | 175.3° |
| N24 | C23 | C22 | H14 | 39.9° | 64.7° |
| N24 | C23 | C28 | H27 | 179.7° | 179.6° |
| C23 | C22 | C21 | H13 | 120.0° | 120.1° |
| C23 | C22 | C21 | H14 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 113.6° | 180.0° |
| C23 | C22 | C21 | H11 | 125.9° | 60.0° |
| C23 | C22 | C21 | H12 | 6.9° | 60.0° |
| C23 | C22 | H13 | H14 | 120.0° | 120.0° |
| C22 | C23 | C28 | H27 | 0.7° | 0.1° |
| C22 | C21 | C20 | H11 | 120.5° | 120.0° |
| C22 | C21 | C20 | H12 | 120.5° | 120.1° |
| C22 | C21 | C20 | C19 | 166.0° | 180.0° |
| C22 | C21 | C20 | H9 | 73.8° | 60.0° |
| C22 | C21 | C20 | H10 | 45.8° | 60.0° |
| C22 | C21 | H11 | H12 | 118.4° | 120.0° |
| C21 | C22 | H13 | H14 | 120.0° | 119.9° |
| C21 | C20 | C19 | H9 | 120.2° | 120.1° |
| C21 | C20 | C19 | H10 | 120.2° | 120.0° |
| C21 | C20 | C19 | O18 | 161.7° | 180.0° |
| C21 | C20 | H9 | H10 | 119.4° | 120.0° |
| C20 | C21 | H11 | H12 | 118.4° | 119.9° |
| C20 | C21 | C22 | H13 | 6.3° | 60.0° |
| C20 | C21 | C22 | H14 | 126.4° | 59.9° |
| C21 | C20 | C19 | H24 | 42.0° | 60.0° |
| C21 | C20 | C19 | H25 | 78.6° | 60.0° |
| C20 | C19 | O18 | H24 | 119.7° | 120.0° |
| C20 | C19 | O18 | H25 | 119.7° | 120.0° |
| C20 | C19 | O18 | C17 | 153.3° | 180.0° |
| C19 | C20 | H9 | H10 | 119.4° | 119.9° |
| C19 | C20 | C21 | H11 | 45.5° | 60.0° |
| C19 | C20 | C21 | H12 | 73.5° | 59.9° |
| C20 | C19 | H24 | H25 | 120.8° | 120.0° |
| C12 | C13 | C11 | H1 | 109.5° | 107.5° |
| C12 | C13 | C11 | H2 | 109.4° | 107.5° |
| C13 | C12 | C11 | H22 | 109.5° | 107.5° |
| C13 | C12 | C11 | H23 | 109.5° | 107.5° |
| C12 | C13 | C11 | C10 | 95.2° | 107.5° |
| C12 | C13 | H1 | H2 | 144.9° | 145.7° |
| C12 | C13 | C11 | H21 | 101.9° | 107.5° |
| C13 | C12 | H22 | H23 | 144.7° | 145.6° |
| C13 | C11 | C10 | H21 | 162.9° | 145.7° |
| C13 | C11 | C10 | C09 | 40.3° | 60.0° |
| C13 | C11 | C10 | C05 | 139.2° | 119.5° |
| C11 | C13 | H1 | H2 | 144.8° | 145.6° |
| C19 | O18 | C17 | C33 | 176.1° | 150.0° |
| C19 | O18 | C17 | C16 | 67.5° | 94.3° |
| C19 | O18 | C17 | H8 | 54.4° | 27.8° |
| O18 | C19 | C20 | H9 | 78.1° | 60.0° |
| O18 | C19 | C20 | H10 | 41.5° | 59.9° |
| O18 | C19 | H24 | H25 | 120.8° | 120.0° |
| O18 | C17 | C33 | C16 | 119.4° | 118.9° |
| O18 | C17 | C33 | H8 | 122.9° | 122.2° |
| O18 | C17 | C16 | H8 | 123.2° | 122.2° |
| O18 | C17 | C33 | N14 | 121.6° | 117.7° |
| O18 | C17 | C16 | C15 | 141.8° | 140.9° |
| O18 | C17 | C16 | H6 | 22.7° | 100.7° |
| O18 | C17 | C16 | H7 | 99.1° | 22.4° |
| C17 | O18 | C19 | H24 | 87.0° | 60.0° |
| C17 | O18 | C19 | H25 | 33.6° | 60.0° |
| O18 | C17 | C33 | H32 | 118.7° | 1.7° |
| O18 | C17 | C33 | H33 | 2.0° | 122.9° |
| C33 | C17 | C16 | H8 | 117.7° | 118.9° |
| C17 | C33 | N14 | H32 | 119.6° | 119.3° |
| C17 | C33 | N14 | H33 | 119.6° | 119.4° |
| C33 | C17 | C16 | C15 | 22.7° | 21.9° |
| C17 | C33 | N14 | C15 | 19.9° | 25.3° |
| C17 | C33 | N14 | C04 | 139.4° | 145.9° |
| C33 | C17 | C16 | H6 | 96.5° | 140.3° |
| C33 | C17 | C16 | H7 | 141.8° | 96.5° |
| C17 | C33 | H32 | H33 | 121.1° | 121.2° |
| C16 | C17 | C33 | N14 | 2.2° | 1.2° |
| C17 | C16 | C15 | H6 | 119.1° | 118.4° |
| C17 | C16 | C15 | H7 | 119.1° | 118.6° |
| C17 | C16 | C15 | N14 | 35.0° | 37.4° |
| C17 | C16 | C15 | H4 | 154.2° | 81.0° |
| C17 | C16 | C15 | H5 | 84.2° | 156.0° |
| C17 | C16 | H6 | H7 | 122.5° | 123.3° |
| C16 | C17 | C33 | H32 | 121.9° | 120.6° |
| C16 | C17 | C33 | H33 | 117.4° | 118.1° |
| C12 | C11 | C10 | H21 | 124.1° | 145.7° |
| C12 | C11 | C10 | C09 | 32.6° | 8.6° |
| C12 | C11 | C10 | C05 | 147.9° | 171.9° |
| C11 | C12 | H22 | H23 | 144.7° | 145.7° |
| C11 | C10 | C09 | C05 | 179.5° | 179.5° |
| C11 | C10 | C09 | C08 | 179.7° | 180.0° |
| C11 | C10 | C05 | C04 | 0.0° | 0.2° |
| C11 | C10 | C05 | C06 | 179.7° | 180.0° |
| C10 | C11 | C13 | H1 | 14.3° | 145.0° |
| C10 | C11 | C13 | H2 | 155.4° | 0.0° |
| C11 | C10 | C09 | H20 | 0.3° | 0.2° |
| C10 | C11 | C12 | H22 | 116.4° | 145.0° |
| C10 | C11 | C12 | H23 | 24.6° | 0.0° |
| C33 | N14 | C15 | C16 | 34.2° | 39.2° |
| C33 | N14 | C15 | C04 | 118.0° | 120.6° |
| C33 | N14 | C04 | C05 | 60.5° | 64.2° |
| C33 | N14 | C04 | C02 | 176.4° | 175.7° |
| C33 | N14 | C15 | H4 | 153.4° | 79.2° |
| C33 | N14 | C15 | H5 | 85.0° | 157.8° |
| N14 | C33 | C17 | H8 | 115.5° | 120.1° |
| C33 | N14 | C04 | H16 | 60.9° | 55.8° |
| N14 | C33 | H32 | H33 | 121.1° | 121.2° |
| C16 | C15 | N14 | H4 | 119.2° | 118.4° |
| C16 | C15 | N14 | H5 | 119.2° | 118.6° |
| C16 | C15 | N14 | C04 | 152.2° | 159.8° |
| C16 | C15 | H4 | H5 | 122.4° | 123.2° |
| C15 | C16 | H6 | H7 | 122.6° | 123.2° |
| C15 | C16 | C17 | H8 | 95.0° | 97.0° |
| C10 | C09 | C08 | H20 | 180.0° | 179.7° |
| C09 | C10 | C05 | C04 | 179.5° | 179.7° |
| C09 | C10 | C05 | C06 | 0.2° | 0.5° |
| C10 | C09 | C08 | C07 | 0.1° | 0.3° |
| C10 | C09 | C08 | H19 | 179.9° | 179.8° |
| C09 | C10 | C11 | H21 | 156.7° | 154.3° |
| C05 | C10 | C09 | C08 | 0.2° | 0.5° |
| C10 | C05 | C04 | N14 | 122.4° | 152.6° |
| C10 | C05 | C04 | C06 | 179.7° | 179.7° |
| C10 | C05 | C04 | C02 | 121.0° | 87.3° |
| C10 | C05 | C06 | C07 | 0.1° | 0.2° |
| C10 | C05 | C04 | H16 | 0.7° | 32.7° |
| C10 | C05 | C06 | H17 | 179.9° | 179.8° |
| C05 | C10 | C09 | H20 | 179.9° | 179.7° |
| C05 | C10 | C11 | H21 | 23.7° | 26.2° |
| C09 | C08 | C07 | H19 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C09 | C08 | C07 | H18 | 180.0° | 179.9° |
| C15 | N14 | C04 | C05 | 176.9° | 178.3° |
| C15 | N14 | C04 | C02 | 67.1° | 58.3° |
| N14 | C15 | H4 | H5 | 122.4° | 123.0° |
| N14 | C15 | C16 | H6 | 84.1° | 155.8° |
| N14 | C15 | C16 | H7 | 154.1° | 81.2° |
| C15 | N14 | C04 | H16 | 55.5° | 61.7° |
| C15 | N14 | C33 | H32 | 99.8° | 144.6° |
| C15 | N14 | C33 | H33 | 139.5° | 94.0° |
| N14 | C04 | C05 | C02 | 116.6° | 120.0° |
| N14 | C04 | C05 | H16 | 121.7° | 119.9° |
| N14 | C04 | C02 | H16 | 123.0° | 119.9° |
| N14 | C04 | C05 | C06 | 57.3° | 27.6° |
| N14 | C04 | C02 | O03 | 157.5° | 27.3° |
| N14 | C04 | C02 | O01 | 22.1° | 152.7° |
| C04 | N14 | C15 | H4 | 88.6° | 41.4° |
| C04 | N14 | C15 | H5 | 33.0° | 81.6° |
| C04 | N14 | C33 | H32 | 19.7° | 94.8° |
| C04 | N14 | C33 | H33 | 101.0° | 26.5° |
| C05 | C04 | C02 | H16 | 121.7° | 120.0° |
| C04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C05 | C04 | C02 | O03 | 87.1° | 92.7° |
| C05 | C04 | C02 | O01 | 93.2° | 87.3° |
| C04 | C05 | C06 | H17 | 0.4° | 0.0° |
| C02 | C04 | C05 | C06 | 59.3° | 92.4° |
| C04 | C02 | O03 | O01 | 179.7° | 180.0° |
| C04 | C02 | O01 | H34 | 179.7° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C05 | C06 | C07 | H17 | 180.0° | 180.0° |
| C06 | C05 | C04 | H16 | 179.0° | 147.6° |
| C05 | C06 | C07 | H18 | 180.0° | 180.0° |
| C08 | C07 | C06 | H18 | 180.0° | 179.9° |
| C08 | C07 | C06 | H17 | 180.0° | 180.0° |
| C07 | C08 | C09 | H20 | 179.9° | 180.0° |
| C06 | C07 | C08 | H19 | 180.0° | 179.9° |
| O03 | C02 | C04 | H16 | 34.6° | 147.2° |
| O03 | C02 | O01 | H34 | 0.0° | 0.0° |
| O01 | C02 | C04 | H16 | 145.1° | 32.7° |
| H1 | C13 | C11 | H21 | 148.7° | 0.0° |
| H1 | C13 | C12 | H22 | 141.1° | 0.0° |
| H1 | C13 | C12 | H23 | 0.1° | 145.0° |
| H2 | C13 | C11 | H21 | 7.6° | 145.0° |
| H2 | C13 | C12 | H22 | 0.1° | 145.0° |
| H2 | C13 | C12 | H23 | 141.1° | 0.0° |
| H4 | C15 | C16 | H6 | 35.1° | 37.4° |
| H4 | C15 | C16 | H7 | 86.7° | 160.4° |
| H5 | C15 | C16 | H6 | 156.7° | 85.7° |
| H5 | C15 | C16 | H7 | 34.9° | 37.4° |
| H6 | C16 | C17 | H8 | 145.8° | 21.4° |
| H7 | C16 | C17 | H8 | 24.1° | 144.6° |
| H8 | C17 | C33 | H32 | 4.2° | 120.5° |
| H8 | C17 | C33 | H33 | 124.9° | 0.8° |
| H9 | C20 | C21 | H11 | 165.7° | 60.0° |
| H9 | C20 | C21 | H12 | 46.7° | 180.0° |
| H9 | C20 | C19 | H24 | 162.2° | 179.9° |
| H9 | C20 | C19 | H25 | 41.6° | 60.0° |
| H10 | C20 | C21 | H11 | 74.7° | 180.0° |
| H10 | C20 | C21 | H12 | 166.3° | 60.0° |
| H10 | C20 | C19 | H24 | 78.2° | 60.0° |
| H10 | C20 | C19 | H25 | 161.2° | 180.0° |
| H11 | C21 | C22 | H13 | 114.2° | 180.0° |
| H11 | C21 | C22 | H14 | 5.9° | 60.0° |
| H12 | C21 | C22 | H13 | 126.9° | 60.0° |
| H12 | C21 | C22 | H14 | 113.1° | 180.0° |
| H15 | C31 | C30 | H30 | 40.4° | 176.1° |
| H15 | C31 | C30 | H31 | 159.6° | 63.5° |
| H15 | C31 | N32 | H35 | 2.7° | 104.9° |
| H17 | C06 | C07 | H18 | 0.0° | 0.1° |
| H18 | C07 | C08 | H19 | 0.0° | 0.0° |
| H19 | C08 | C09 | H20 | 0.0° | 0.0° |
| H21 | C11 | C12 | H22 | 7.7° | 0.0° |
| H21 | C11 | C12 | H23 | 148.7° | 145.0° |
| H26 | C27 | C28 | H27 | 0.4° | 0.3° |
| H28 | C29 | C30 | H30 | 62.7° | 170.8° |
| H28 | C29 | C30 | H31 | 56.5° | 50.4° |
| H29 | C29 | C30 | H30 | 57.6° | 51.3° |
| H29 | C29 | C30 | H31 | 176.8° | 69.1° |
| H30 | C30 | C31 | H3 | 77.8° | 63.0° |
| H31 | C30 | C31 | H3 | 41.4° | 57.5° |
| H3 | C31 | N32 | H35 | 115.6° | 15.9° |
