A1CHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| C30 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N15 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| N15 | C16 | sing | 1.35Å | 1.47Å | |
| O31 | C13 | doub | 1.21Å | 1.19Å | |
| C13 | N12 | sing | 1.35Å | 1.48Å | |
| C35 | C33 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.47Å | 1.55Å | |
| C16 | O22 | doub | 1.22Å | 1.19Å | |
| C17 | C18 | doub | 1.33Å | 1.34Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| N12 | C11 | sing | 1.46Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C32 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.55Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C37 | C09 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.51Å | 1.55Å | |
| C10 | O36 | doub | 1.21Å | 1.19Å | |
| C02 | C09 | sing | 1.51Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| C04 | C08 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C05 | O06 | doub | 1.21Å | 1.26Å | |
| C05 | O07 | sing | 1.34Å | 1.26Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| O07 | H14 | sing | 0.97Å | 0.95Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C28 | C27 | H24 | 119.9° | 120.0° |
| C27 | C28 | H25 | 120.0° | 120.0° |
| C27 | C26 | C25 | 120.0° | 120.1° |
| C27 | C26 | H23 | 120.0° | 119.9° |
| C26 | C27 | H24 | 119.9° | 120.1° |
| C28 | C29 | C24 | 120.0° | 120.0° |
| C29 | C28 | H25 | 120.0° | 120.0° |
| C28 | C29 | H26 | 120.0° | 120.1° |
| C26 | C25 | C24 | 119.9° | 120.0° |
| C26 | C25 | H22 | 120.0° | 120.0° |
| C25 | C26 | H23 | 120.0° | 120.0° |
| C29 | C24 | C25 | 119.9° | 120.0° |
| C29 | C24 | C23 | 118.4° | 120.0° |
| C24 | C29 | H26 | 120.0° | 120.0° |
| C25 | C24 | C23 | 121.7° | 120.0° |
| C24 | C25 | H22 | 120.0° | 120.0° |
| C24 | C23 | C30 | 111.4° | 109.5° |
| C24 | C23 | C14 | 106.7° | 109.5° |
| C24 | C23 | H8 | 109.2° | 109.5° |
| C30 | C23 | C14 | 111.1° | 109.5° |
| C30 | C23 | H8 | 109.2° | 109.5° |
| C23 | C30 | H27 | 109.5° | 109.5° |
| C23 | C30 | H28 | 109.5° | 109.5° |
| C23 | C30 | H29 | 109.5° | 109.5° |
| C23 | C14 | N15 | 107.4° | 109.5° |
| C23 | C14 | C13 | 110.7° | 109.5° |
| C14 | C23 | H8 | 109.3° | 109.5° |
| C23 | C14 | H11 | 109.8° | 109.5° |
| N15 | C14 | C13 | 108.3° | 109.5° |
| C14 | N15 | C16 | 122.9° | 120.1° |
| N15 | C14 | H11 | 110.8° | 109.5° |
| C14 | N15 | H21 | 118.6° | 120.0° |
| C14 | C13 | O31 | 118.0° | 120.0° |
| C14 | C13 | N12 | 117.3° | 120.0° |
| C13 | C14 | H11 | 109.7° | 109.4° |
| N15 | C16 | C17 | 116.7° | 120.0° |
| N15 | C16 | O22 | 121.7° | 120.0° |
| C16 | N15 | H21 | 118.5° | 120.0° |
| O31 | C13 | N12 | 124.8° | 120.0° |
| C13 | N12 | C11 | 128.1° | 120.0° |
| C13 | N12 | H20 | 116.0° | 120.0° |
| C35 | C33 | C34 | 111.4° | 109.5° |
| C35 | C33 | C32 | 111.7° | 109.5° |
| C35 | C33 | H32 | 108.0° | 109.5° |
| C33 | C35 | H36 | 109.5° | 109.4° |
| C33 | C35 | H37 | 109.5° | 109.5° |
| C33 | C35 | H38 | 109.4° | 109.5° |
| C17 | C16 | O22 | 121.6° | 120.0° |
| C16 | C17 | C18 | 128.3° | 120.0° |
| C16 | C17 | H10 | 115.8° | 120.0° |
| C17 | C18 | C19 | 127.3° | 120.0° |
| C17 | C18 | H9 | 116.3° | 120.0° |
| C18 | C17 | H10 | 115.9° | 120.0° |
| C34 | C33 | C32 | 110.0° | 109.5° |
| C34 | C33 | H32 | 107.9° | 109.4° |
| C33 | C34 | H33 | 109.5° | 109.5° |
| C33 | C34 | H34 | 109.4° | 109.5° |
| C33 | C34 | H35 | 109.5° | 109.4° |
| C33 | C32 | C11 | 111.3° | 109.5° |
| C33 | C32 | H30 | 109.0° | 109.5° |
| C33 | C32 | H31 | 109.0° | 109.5° |
| C32 | C33 | H32 | 107.7° | 109.5° |
| N12 | C11 | C32 | 115.3° | 109.5° |
| N12 | C11 | C10 | 110.1° | 109.5° |
| N12 | C11 | H19 | 108.3° | 109.5° |
| C11 | N12 | H20 | 115.9° | 119.9° |
| C18 | C19 | C20 | 109.5° | 109.5° |
| C18 | C19 | H6 | 109.4° | 109.5° |
| C18 | C19 | H7 | 109.5° | 109.5° |
| C19 | C18 | H9 | 116.4° | 120.0° |
| C32 | C11 | C10 | 108.1° | 109.5° |
| C32 | C11 | H19 | 107.5° | 109.4° |
| C11 | C32 | H30 | 109.0° | 109.5° |
| C11 | C32 | H31 | 109.0° | 109.5° |
| C11 | C10 | C09 | 125.6° | 120.0° |
| C11 | C10 | O36 | 117.4° | 120.0° |
| C10 | C11 | H19 | 107.4° | 109.5° |
| O01 | C02 | C09 | 119.6° | 120.0° |
| O01 | C02 | N03 | 117.2° | 120.0° |
| C19 | C20 | C21 | 112.4° | 109.5° |
| C19 | C20 | H4 | 108.7° | 109.5° |
| C19 | C20 | H5 | 108.7° | 109.4° |
| C20 | C19 | H6 | 109.5° | 109.5° |
| C20 | C19 | H7 | 109.5° | 109.4° |
| C09 | C37 | C38 | 111.7° | 109.5° |
| C37 | C09 | C10 | 112.3° | 109.5° |
| C37 | C09 | C02 | 110.6° | 109.5° |
| C37 | C09 | H18 | 108.3° | 109.4° |
| C09 | C37 | H39 | 108.9° | 109.5° |
| C09 | C37 | H40 | 108.9° | 109.5° |
| C38 | C37 | H39 | 108.9° | 109.5° |
| C38 | C37 | H40 | 108.9° | 109.4° |
| C37 | C38 | H41 | 109.5° | 109.5° |
| C37 | C38 | H42 | 109.4° | 109.4° |
| C37 | C38 | H43 | 109.5° | 109.5° |
| C09 | C10 | O36 | 117.0° | 120.0° |
| C10 | C09 | C02 | 109.2° | 109.5° |
| C10 | C09 | H18 | 108.1° | 109.5° |
| C09 | C02 | N03 | 123.1° | 120.0° |
| C02 | C09 | H18 | 108.2° | 109.5° |
| C02 | N03 | C04 | 123.0° | 120.0° |
| C02 | N03 | H12 | 118.5° | 120.0° |
| C20 | C21 | H1 | 109.5° | 109.4° |
| C20 | C21 | H2 | 109.5° | 109.4° |
| C20 | C21 | H3 | 109.5° | 109.5° |
| C21 | C20 | H4 | 108.8° | 109.5° |
| C21 | C20 | H5 | 108.7° | 109.5° |
| N03 | C04 | C08 | 108.7° | 109.5° |
| N03 | C04 | C05 | 111.4° | 109.4° |
| C04 | N03 | H12 | 118.4° | 120.1° |
| N03 | C04 | H13 | 110.3° | 109.4° |
| C08 | C04 | C05 | 107.6° | 109.5° |
| C08 | C04 | H13 | 109.4° | 109.5° |
| C04 | C08 | H15 | 109.5° | 109.5° |
| C04 | C08 | H16 | 109.5° | 109.5° |
| C04 | C08 | H17 | 109.5° | 109.5° |
| C04 | C05 | O06 | 120.1° | 120.0° |
| C04 | C05 | O07 | 119.7° | 120.0° |
| C05 | C04 | H13 | 109.5° | 109.4° |
| O06 | C05 | O07 | 120.2° | 120.0° |
| C05 | O07 | H14 | 109.5° | 117.0° |
| H1 | C21 | H2 | 109.4° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.4° | 109.5° |
| H15 | C08 | H17 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
| H30 | C32 | H31 | 109.4° | 109.4° |
| H33 | C34 | H34 | 109.5° | 109.4° |
| H33 | C34 | H35 | 109.4° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H36 | C35 | H37 | 109.5° | 109.5° |
| H36 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C37 | H40 | 109.5° | 109.4° |
| H41 | C38 | H42 | 109.5° | 109.5° |
| H41 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H24 | 180.0° | 179.7° |
| C27 | C28 | C29 | H25 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C28 | C29 | C24 | 0.1° | 0.5° |
| C28 | C27 | C26 | H23 | 179.8° | 180.0° |
| C27 | C28 | C29 | H26 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.3° |
| C27 | C26 | C25 | H23 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H22 | 179.9° | 180.0° |
| C26 | C27 | C28 | H25 | 179.9° | 180.0° |
| C28 | C29 | C24 | H26 | 180.0° | 179.4° |
| C28 | C29 | C24 | C25 | 0.4° | 0.5° |
| C28 | C29 | C24 | C23 | 179.8° | 179.7° |
| C29 | C28 | C27 | H24 | 179.9° | 180.0° |
| C26 | C25 | C24 | C29 | 0.4° | 0.3° |
| C26 | C25 | C24 | H22 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.7° | 180.0° |
| C25 | C26 | C27 | H24 | 179.9° | 179.7° |
| C29 | C24 | C25 | C23 | 179.3° | 179.8° |
| C29 | C24 | C23 | C30 | 147.4° | 59.7° |
| C29 | C24 | C23 | C14 | 91.3° | 60.2° |
| C29 | C24 | C23 | H8 | 26.7° | 179.8° |
| C29 | C24 | C25 | H22 | 179.6° | 179.7° |
| C24 | C29 | C28 | H25 | 179.9° | 179.7° |
| C25 | C24 | C23 | C30 | 33.3° | 120.0° |
| C25 | C24 | C23 | C14 | 88.1° | 120.0° |
| C25 | C24 | C23 | H8 | 153.9° | 0.0° |
| C24 | C25 | C26 | H23 | 179.9° | 180.0° |
| C25 | C24 | C29 | H26 | 179.6° | 180.0° |
| C24 | C23 | C30 | C14 | 118.7° | 120.0° |
| C24 | C23 | C30 | H8 | 120.6° | 120.0° |
| C24 | C23 | C14 | H8 | 117.9° | 120.0° |
| C24 | C23 | C14 | N15 | 74.1° | 60.0° |
| C24 | C23 | C14 | C13 | 167.8° | 60.0° |
| C24 | C23 | C14 | H11 | 46.5° | 180.0° |
| C23 | C24 | C25 | H22 | 0.2° | 0.0° |
| C23 | C24 | C29 | H26 | 0.2° | 0.2° |
| C24 | C23 | C30 | H27 | 180.0° | 60.0° |
| C24 | C23 | C30 | H28 | 60.0° | 180.0° |
| C24 | C23 | C30 | H29 | 60.0° | 60.0° |
| C30 | C23 | C14 | H8 | 120.6° | 120.0° |
| C30 | C23 | C14 | N15 | 164.3° | 60.0° |
| C30 | C23 | C14 | C13 | 46.2° | 180.0° |
| C30 | C23 | C14 | H11 | 75.1° | 60.0° |
| C23 | C30 | H27 | H28 | 120.0° | 120.0° |
| C23 | C30 | H27 | H29 | 120.0° | 120.0° |
| C23 | C30 | H28 | H29 | 120.0° | 120.0° |
| C23 | C14 | N15 | C13 | 119.6° | 120.0° |
| C23 | C14 | N15 | H11 | 120.0° | 120.0° |
| C23 | C14 | C13 | H11 | 121.3° | 120.0° |
| C23 | C14 | N15 | C16 | 146.4° | 85.0° |
| C23 | C14 | C13 | O31 | 55.4° | 120.0° |
| C23 | C14 | C13 | N12 | 125.1° | 59.9° |
| C23 | C14 | N15 | H21 | 33.7° | 95.0° |
| C14 | C23 | C30 | H27 | 61.3° | 180.0° |
| C14 | C23 | C30 | H28 | 58.8° | 60.0° |
| C14 | C23 | C30 | H29 | 178.7° | 60.0° |
| N15 | C14 | C13 | H11 | 121.1° | 120.0° |
| C14 | N15 | C16 | H21 | 180.0° | 180.0° |
| N15 | C14 | C13 | O31 | 62.2° | 0.0° |
| N15 | C14 | C13 | N12 | 117.3° | 180.0° |
| C14 | N15 | C16 | C17 | 179.9° | 180.0° |
| C14 | N15 | C16 | O22 | 0.8° | 0.0° |
| N15 | C14 | C23 | H8 | 43.8° | 180.0° |
| C13 | C14 | N15 | C16 | 94.0° | 155.0° |
| C14 | C13 | O31 | N12 | 179.5° | 179.9° |
| C14 | C13 | N12 | C11 | 179.8° | 175.0° |
| C13 | C14 | C23 | H8 | 74.3° | 60.0° |
| C14 | C13 | N12 | H20 | 0.3° | 5.0° |
| C13 | C14 | N15 | H21 | 86.0° | 25.0° |
| N15 | C16 | C17 | O22 | 179.2° | 180.0° |
| N15 | C16 | C17 | C18 | 141.7° | 174.5° |
| N15 | C16 | C17 | H10 | 38.4° | 5.6° |
| C16 | N15 | C14 | H11 | 26.4° | 35.0° |
| O31 | C13 | N12 | C11 | 0.8° | 5.1° |
| O31 | C13 | C14 | H11 | 176.7° | 120.0° |
| O31 | C13 | N12 | H20 | 179.2° | 175.0° |
| C13 | N12 | C11 | H20 | 180.0° | 180.0° |
| C13 | N12 | C11 | C32 | 6.7° | 87.6° |
| C13 | N12 | C11 | C10 | 115.8° | 152.4° |
| N12 | C13 | C14 | H11 | 3.8° | 60.0° |
| C13 | N12 | C11 | H19 | 127.1° | 32.4° |
| C35 | C33 | C34 | C32 | 124.4° | 120.0° |
| C35 | C33 | C34 | H32 | 118.3° | 120.0° |
| C35 | C33 | C32 | H32 | 118.4° | 120.0° |
| C35 | C33 | C32 | C11 | 149.6° | 158.3° |
| C35 | C33 | C32 | H30 | 90.1° | 81.7° |
| C35 | C33 | C32 | H31 | 29.3° | 38.3° |
| C35 | C33 | C34 | H33 | 180.0° | 72.6° |
| C35 | C33 | C34 | H34 | 60.0° | 47.4° |
| C35 | C33 | C34 | H35 | 60.0° | 167.4° |
| C33 | C35 | H36 | H37 | 120.0° | 120.0° |
| C33 | C35 | H36 | H38 | 120.0° | 120.0° |
| C33 | C35 | H37 | H38 | 120.0° | 120.0° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 15.1° |
| C16 | C17 | C18 | H9 | 179.2° | 165.0° |
| C17 | C16 | N15 | H21 | 0.1° | 0.0° |
| O22 | C16 | C17 | C18 | 39.2° | 5.6° |
| O22 | C16 | C17 | H10 | 140.8° | 174.4° |
| O22 | C16 | N15 | H21 | 179.3° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 134.1° | 130.2° |
| C17 | C18 | C19 | H6 | 105.9° | 10.2° |
| C17 | C18 | C19 | H7 | 14.1° | 109.8° |
| C34 | C33 | C32 | H32 | 117.4° | 120.0° |
| C34 | C33 | C32 | C11 | 86.2° | 81.7° |
| C34 | C33 | C32 | H30 | 34.1° | 38.3° |
| C34 | C33 | C32 | H31 | 153.5° | 158.3° |
| C33 | C34 | H33 | H34 | 120.0° | 120.0° |
| C33 | C34 | H33 | H35 | 120.0° | 120.0° |
| C33 | C34 | H34 | H35 | 120.0° | 120.0° |
| C34 | C33 | C35 | H36 | 180.0° | 60.0° |
| C34 | C33 | C35 | H37 | 60.0° | 180.0° |
| C34 | C33 | C35 | H38 | 60.0° | 60.0° |
| C33 | C32 | C11 | N12 | 71.9° | 52.6° |
| C33 | C32 | C11 | H30 | 120.3° | 120.0° |
| C33 | C32 | C11 | H31 | 120.3° | 120.0° |
| C33 | C32 | C11 | C10 | 164.5° | 67.5° |
| C33 | C32 | C11 | H19 | 48.9° | 172.5° |
| C33 | C32 | H30 | H31 | 119.1° | 120.0° |
| C32 | C33 | C34 | H33 | 55.6° | 47.5° |
| C32 | C33 | C34 | H34 | 175.6° | 167.4° |
| C32 | C33 | C34 | H35 | 64.4° | 72.5° |
| C32 | C33 | C35 | H36 | 56.6° | 60.0° |
| C32 | C33 | C35 | H37 | 63.4° | 60.0° |
| C32 | C33 | C35 | H38 | 176.6° | 180.0° |
| N12 | C11 | C32 | C10 | 123.6° | 120.1° |
| N12 | C11 | C32 | H19 | 120.8° | 120.0° |
| N12 | C11 | C10 | H19 | 117.6° | 120.0° |
| N12 | C11 | C10 | C09 | 24.3° | 159.6° |
| N12 | C11 | C10 | O36 | 155.3° | 20.4° |
| N12 | C11 | C32 | H30 | 167.8° | 172.6° |
| N12 | C11 | C32 | H31 | 48.4° | 67.4° |
| C18 | C19 | C20 | H6 | 120.0° | 120.0° |
| C18 | C19 | C20 | H7 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 74.2° | 180.0° |
| C18 | C19 | C20 | H4 | 165.4° | 59.9° |
| C18 | C19 | C20 | H5 | 46.2° | 60.0° |
| C18 | C19 | H6 | H7 | 120.0° | 120.0° |
| C19 | C18 | C17 | H10 | 179.2° | 165.0° |
| C32 | C11 | C10 | H19 | 115.6° | 120.0° |
| C32 | C11 | C10 | C09 | 102.4° | 80.4° |
| C32 | C11 | C10 | O36 | 78.0° | 99.6° |
| C32 | C11 | N12 | H20 | 173.3° | 92.4° |
| C11 | C32 | H30 | H31 | 119.2° | 120.0° |
| C11 | C32 | C33 | H32 | 31.2° | 38.3° |
| C11 | C10 | C09 | C37 | 43.9° | 110.0° |
| C11 | C10 | C09 | O36 | 179.6° | 180.0° |
| C11 | C10 | C09 | C02 | 79.1° | 130.0° |
| C11 | C10 | C09 | H18 | 163.3° | 10.0° |
| C10 | C11 | N12 | H20 | 64.2° | 27.6° |
| C10 | C11 | C32 | H30 | 44.2° | 52.5° |
| C10 | C11 | C32 | H31 | 75.2° | 172.5° |
| O01 | C02 | C09 | C37 | 99.9° | 34.8° |
| O01 | C02 | C09 | C10 | 24.2° | 85.2° |
| O01 | C02 | C09 | N03 | 179.0° | 180.0° |
| O01 | C02 | N03 | C04 | 179.9° | 5.1° |
| O01 | C02 | N03 | H12 | 0.1° | 175.0° |
| O01 | C02 | C09 | H18 | 141.6° | 154.8° |
| C19 | C20 | C21 | H4 | 120.4° | 120.0° |
| C19 | C20 | C21 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | H1 | 180.0° | 180.0° |
| C19 | C20 | C21 | H2 | 60.0° | 60.1° |
| C19 | C20 | C21 | H3 | 60.0° | 60.0° |
| C19 | C20 | H4 | H5 | 118.7° | 119.9° |
| C20 | C19 | H6 | H7 | 120.0° | 120.0° |
| C20 | C19 | C18 | H9 | 45.9° | 49.7° |
| C09 | C37 | C38 | H39 | 120.3° | 120.0° |
| C09 | C37 | C38 | H40 | 120.3° | 120.0° |
| C37 | C09 | C10 | C02 | 123.0° | 120.0° |
| C37 | C09 | C10 | H18 | 119.4° | 120.0° |
| C37 | C09 | C10 | O36 | 136.5° | 70.0° |
| C37 | C09 | C02 | H18 | 118.5° | 120.0° |
| C37 | C09 | C02 | N03 | 81.1° | 145.2° |
| C09 | C37 | H39 | H40 | 119.0° | 120.0° |
| C09 | C37 | C38 | H41 | 180.0° | 65.1° |
| C09 | C37 | C38 | H42 | 60.0° | 54.9° |
| C09 | C37 | C38 | H43 | 60.0° | 174.8° |
| C38 | C37 | C09 | C10 | 115.3° | 177.4° |
| C38 | C37 | C09 | C02 | 122.4° | 62.6° |
| C38 | C37 | C09 | H18 | 4.0° | 57.4° |
| C38 | C37 | H39 | H40 | 119.0° | 120.0° |
| C37 | C38 | H41 | H42 | 120.0° | 120.0° |
| C37 | C38 | H41 | H43 | 120.0° | 120.0° |
| C37 | C38 | H42 | H43 | 120.0° | 119.9° |
| C10 | C09 | C02 | H18 | 117.4° | 120.0° |
| C10 | C09 | C02 | N03 | 154.8° | 94.7° |
| C09 | C10 | C11 | H19 | 141.9° | 39.6° |
| C10 | C09 | C37 | H39 | 5.0° | 57.3° |
| C10 | C09 | C37 | H40 | 124.4° | 62.6° |
| O36 | C10 | C09 | C02 | 100.5° | 50.0° |
| O36 | C10 | C09 | H18 | 17.1° | 170.0° |
| O36 | C10 | C11 | H19 | 37.7° | 140.5° |
| C09 | C02 | N03 | C04 | 1.0° | 174.9° |
| C09 | C02 | N03 | H12 | 179.0° | 5.1° |
| C02 | C09 | C37 | H39 | 117.2° | 177.4° |
| C02 | C09 | C37 | H40 | 2.1° | 57.4° |
| C02 | N03 | C04 | H12 | 180.0° | 179.9° |
| C02 | N03 | C04 | C08 | 168.5° | 85.0° |
| C02 | N03 | C04 | C05 | 73.1° | 155.0° |
| C02 | N03 | C04 | H13 | 48.6° | 35.1° |
| N03 | C02 | C09 | H18 | 37.4° | 25.2° |
| C20 | C21 | H1 | H2 | 120.0° | 119.9° |
| C20 | C21 | H1 | H3 | 120.0° | 120.0° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C21 | C20 | H4 | H5 | 118.7° | 120.0° |
| C21 | C20 | C19 | H6 | 45.8° | 60.0° |
| C21 | C20 | C19 | H7 | 165.8° | 60.0° |
| N03 | C04 | C08 | C05 | 120.7° | 120.0° |
| N03 | C04 | C08 | H13 | 120.4° | 120.0° |
| N03 | C04 | C05 | H13 | 122.2° | 119.9° |
| N03 | C04 | C05 | O06 | 54.1° | 0.1° |
| N03 | C04 | C05 | O07 | 126.5° | 180.0° |
| N03 | C04 | C08 | H15 | 180.0° | 60.0° |
| N03 | C04 | C08 | H16 | 60.0° | 180.0° |
| N03 | C04 | C08 | H17 | 60.0° | 60.0° |
| C08 | C04 | C05 | H13 | 118.8° | 120.0° |
| C08 | C04 | C05 | O06 | 65.0° | 120.0° |
| C08 | C04 | C05 | O07 | 114.5° | 60.0° |
| C08 | C04 | N03 | H12 | 11.5° | 95.0° |
| C04 | C08 | H15 | H16 | 120.0° | 120.0° |
| C04 | C08 | H15 | H17 | 120.0° | 120.0° |
| C04 | C08 | H16 | H17 | 120.0° | 120.0° |
| C04 | C05 | O06 | O07 | 179.5° | 180.0° |
| C05 | C04 | N03 | H12 | 106.9° | 25.1° |
| C04 | C05 | O07 | H14 | 179.5° | 180.0° |
| C05 | C04 | C08 | H15 | 59.3° | 60.0° |
| C05 | C04 | C08 | H16 | 179.3° | 60.0° |
| C05 | C04 | C08 | H17 | 60.7° | 180.0° |
| O06 | C05 | C04 | H13 | 176.3° | 120.0° |
| O06 | C05 | O07 | H14 | 0.0° | 0.0° |
| O07 | C05 | C04 | H13 | 4.3° | 60.1° |
| H1 | C21 | H2 | H3 | 120.0° | 120.1° |
| H1 | C21 | C20 | H4 | 59.6° | 60.0° |
| H1 | C21 | C20 | H5 | 59.6° | 60.0° |
| H2 | C21 | C20 | H4 | 179.6° | 60.0° |
| H2 | C21 | C20 | H5 | 60.4° | 180.0° |
| H3 | C21 | C20 | H4 | 60.4° | 180.0° |
| H3 | C21 | C20 | H5 | 179.6° | 60.0° |
| H4 | C20 | C19 | H6 | 74.7° | 179.9° |
| H4 | C20 | C19 | H7 | 45.3° | 60.1° |
| H5 | C20 | C19 | H6 | 166.2° | 60.0° |
| H5 | C20 | C19 | H7 | 73.8° | 180.0° |
| H6 | C19 | C18 | H9 | 74.1° | 169.7° |
| H7 | C19 | C18 | H9 | 165.9° | 70.2° |
| H8 | C23 | C14 | H11 | 164.4° | 60.0° |
| H8 | C23 | C30 | H27 | 59.4° | 60.0° |
| H8 | C23 | C30 | H28 | 179.4° | 60.0° |
| H8 | C23 | C30 | H29 | 60.7° | 180.0° |
| H9 | C18 | C17 | H10 | 0.8° | 15.0° |
| H11 | C14 | N15 | H21 | 153.6° | 145.0° |
| H12 | N03 | C04 | H13 | 131.4° | 145.0° |
| H13 | C04 | C08 | H15 | 59.5° | 180.0° |
| H13 | C04 | C08 | H16 | 60.5° | 60.0° |
| H13 | C04 | C08 | H17 | 179.5° | 60.0° |
| H15 | C08 | H16 | H17 | 120.0° | 120.0° |
| H18 | C09 | C37 | H39 | 124.4° | 62.7° |
| H18 | C09 | C37 | H40 | 116.3° | 177.4° |
| H19 | C11 | N12 | H20 | 52.9° | 147.6° |
| H19 | C11 | C32 | H30 | 71.4° | 67.4° |
| H19 | C11 | C32 | H31 | 169.2° | 52.5° |
| H22 | C25 | C26 | H23 | 0.1° | 0.0° |
| H23 | C26 | C27 | H24 | 0.2° | 0.3° |
| H24 | C27 | C28 | H25 | 0.1° | 0.2° |
| H25 | C28 | C29 | H26 | 0.1° | 0.3° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H30 | C32 | C33 | H32 | 151.5° | 158.3° |
| H31 | C32 | C33 | H32 | 89.1° | 81.7° |
| H32 | C33 | C34 | H33 | 61.7° | 167.4° |
| H32 | C33 | C34 | H34 | 58.3° | 72.6° |
| H32 | C33 | C34 | H35 | 178.3° | 47.4° |
| H32 | C33 | C35 | H36 | 61.7° | 180.0° |
| H32 | C33 | C35 | H37 | 178.3° | 60.0° |
| H32 | C33 | C35 | H38 | 58.3° | 60.0° |
| H33 | C34 | H34 | H35 | 120.0° | 120.0° |
| H36 | C35 | H37 | H38 | 120.0° | 120.0° |
| H39 | C37 | C38 | H41 | 59.7° | 174.8° |
| H39 | C37 | C38 | H42 | 179.7° | 65.1° |
| H39 | C37 | C38 | H43 | 60.4° | 54.8° |
| H40 | C37 | C38 | H41 | 59.7° | 54.9° |
| H40 | C37 | C38 | H42 | 60.3° | 174.9° |
| H40 | C37 | C38 | H43 | 179.7° | 65.2° |
| H41 | C38 | H42 | H43 | 120.0° | 120.0° |
