A1CXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N24 | sing | 1.40Å | 1.45Å | |
| N24 | C23 | sing | 1.35Å | 1.44Å | |
| O31 | C23 | doub | 1.21Å | 1.21Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | N15 | sing | 1.46Å | 1.43Å | |
| N15 | C14 | sing | 1.35Å | 1.44Å | |
| O32 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | C13 | sing | 1.48Å | 1.54Å | |
| C13 | C33 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C37 | C02 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| N09 | C08 | sing | 1.35Å | 1.45Å | |
| C02 | S03 | sing | 1.82Å | 1.59Å | |
| C02 | C07 | sing | 1.53Å | 1.52Å | |
| S03 | C04 | sing | 1.82Å | 1.58Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C08 | O36 | doub | 1.21Å | 1.22Å | |
| C07 | N06 | sing | 1.47Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| N06 | C05 | sing | 1.47Å | 1.58Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| N06 | H19 | sing | 1.01Å | 1.00Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| N09 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| N15 | H24 | sing | 0.97Å | 1.00Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| N24 | H30 | sing | 0.97Å | 1.00Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 119.9° | 120.1° |
| C29 | C28 | C27 | 119.8° | 120.2° |
| C29 | C28 | H11 | 120.1° | 119.9° |
| C28 | C29 | H32 | 120.0° | 120.0° |
| C29 | C30 | C25 | 120.6° | 119.9° |
| C30 | C29 | H32 | 120.1° | 120.0° |
| C29 | C30 | H33 | 119.7° | 120.0° |
| C28 | C27 | C26 | 120.1° | 120.1° |
| C27 | C28 | H11 | 120.1° | 119.9° |
| C28 | C27 | H31 | 119.9° | 120.0° |
| C30 | C25 | C26 | 119.2° | 119.9° |
| C30 | C25 | N24 | 118.4° | 120.1° |
| C25 | C30 | H33 | 119.7° | 120.1° |
| C18 | C19 | C20 | 112.2° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.5° |
| C19 | C18 | H26 | 109.0° | 109.5° |
| C19 | C18 | H27 | 108.9° | 109.5° |
| C18 | C19 | H28 | 108.8° | 109.5° |
| C18 | C19 | H29 | 108.8° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C19 | C20 | H4 | 108.8° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C20 | C19 | H28 | 108.8° | 109.4° |
| C20 | C19 | H29 | 108.8° | 109.5° |
| C27 | C26 | C25 | 120.3° | 119.9° |
| C27 | C26 | H10 | 119.8° | 120.0° |
| C26 | C27 | H31 | 120.0° | 120.0° |
| C18 | C17 | C16 | 109.4° | 109.5° |
| C18 | C17 | C22 | 111.8° | 109.5° |
| C18 | C17 | H3 | 108.9° | 109.4° |
| C17 | C18 | H26 | 108.9° | 109.5° |
| C17 | C18 | H27 | 109.0° | 109.5° |
| C20 | C21 | C22 | 112.0° | 109.5° |
| C21 | C20 | H4 | 108.8° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.4° |
| C20 | C21 | H6 | 108.9° | 109.5° |
| C20 | C21 | H7 | 108.8° | 109.5° |
| C26 | C25 | N24 | 122.5° | 120.0° |
| C25 | C26 | H10 | 119.8° | 120.0° |
| C25 | N24 | C23 | 125.0° | 120.0° |
| C25 | N24 | H30 | 117.5° | 120.0° |
| N24 | C23 | O31 | 121.9° | 120.1° |
| N24 | C23 | C16 | 119.0° | 120.0° |
| C23 | N24 | H30 | 117.5° | 120.0° |
| O31 | C23 | C16 | 119.0° | 120.0° |
| C16 | C17 | C22 | 109.0° | 109.5° |
| C17 | C16 | C23 | 109.0° | 109.5° |
| C17 | C16 | N15 | 108.2° | 109.5° |
| C16 | C17 | H3 | 108.8° | 109.4° |
| C17 | C16 | H25 | 108.8° | 109.5° |
| C17 | C22 | C21 | 111.7° | 109.5° |
| C22 | C17 | H3 | 108.9° | 109.5° |
| C17 | C22 | H8 | 108.9° | 109.5° |
| C17 | C22 | H9 | 108.9° | 109.5° |
| C22 | C21 | H6 | 108.9° | 109.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C21 | C22 | H8 | 108.9° | 109.5° |
| C21 | C22 | H9 | 108.9° | 109.5° |
| C23 | C16 | N15 | 111.9° | 109.5° |
| C23 | C16 | H25 | 108.9° | 109.5° |
| C16 | N15 | C14 | 119.5° | 120.0° |
| C16 | N15 | H24 | 120.2° | 120.0° |
| N15 | C16 | H25 | 110.0° | 109.4° |
| N15 | C14 | O32 | 120.2° | 120.1° |
| N15 | C14 | C13 | 120.0° | 120.0° |
| C14 | N15 | H24 | 120.3° | 120.0° |
| O32 | C14 | C13 | 119.8° | 120.0° |
| C14 | C13 | C33 | 119.9° | 120.2° |
| C14 | C13 | C12 | 120.1° | 120.1° |
| C33 | C13 | C12 | 119.9° | 119.7° |
| C13 | C33 | C34 | 120.3° | 119.9° |
| C13 | C33 | H34 | 119.8° | 120.1° |
| C13 | C12 | C11 | 119.7° | 119.8° |
| C13 | C12 | H23 | 120.2° | 120.1° |
| C33 | C34 | C35 | 119.8° | 120.1° |
| C34 | C33 | H34 | 119.8° | 120.1° |
| C33 | C34 | H35 | 120.1° | 119.9° |
| C12 | C11 | C35 | 120.3° | 120.2° |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C11 | C12 | H23 | 120.1° | 120.0° |
| C34 | C35 | C11 | 119.9° | 120.3° |
| C35 | C34 | H35 | 120.1° | 119.9° |
| C34 | C35 | H36 | 120.1° | 119.9° |
| C35 | C11 | C10 | 119.6° | 119.9° |
| C11 | C35 | H36 | 120.0° | 119.9° |
| C11 | C10 | N09 | 107.5° | 109.5° |
| C11 | C10 | H1 | 110.0° | 109.5° |
| C11 | C10 | H2 | 109.9° | 109.5° |
| C37 | C02 | C01 | 108.7° | 109.6° |
| C37 | C02 | S03 | 108.2° | 109.6° |
| C37 | C02 | C07 | 108.9° | 109.8° |
| C02 | C37 | H37 | 109.5° | 109.5° |
| C02 | C37 | H38 | 109.5° | 109.5° |
| C02 | C37 | H39 | 109.5° | 109.4° |
| C01 | C02 | S03 | 108.7° | 109.7° |
| C01 | C02 | C07 | 110.1° | 109.7° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.4° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C10 | N09 | C08 | 121.3° | 120.0° |
| N09 | C10 | H1 | 109.9° | 109.5° |
| N09 | C10 | H2 | 110.0° | 109.5° |
| C10 | N09 | H22 | 119.4° | 120.0° |
| N09 | C08 | C07 | 119.2° | 120.0° |
| N09 | C08 | O36 | 120.5° | 120.0° |
| C08 | N09 | H22 | 119.4° | 120.0° |
| S03 | C02 | C07 | 112.3° | 108.5° |
| C02 | S03 | C04 | 111.3° | 101.9° |
| C02 | C07 | C08 | 112.6° | 109.4° |
| C02 | C07 | N06 | 112.2° | 109.9° |
| C02 | C07 | H21 | 106.8° | 109.5° |
| S03 | C04 | C05 | 111.6° | 108.5° |
| S03 | C04 | H15 | 108.9° | 109.6° |
| S03 | C04 | H16 | 108.9° | 109.7° |
| C07 | C08 | O36 | 120.3° | 120.0° |
| C08 | C07 | N06 | 111.5° | 109.4° |
| C08 | C07 | H21 | 107.0° | 109.3° |
| C07 | N06 | C05 | 114.0° | 112.6° |
| C07 | N06 | H19 | 108.3° | 110.9° |
| N06 | C07 | H21 | 106.2° | 109.4° |
| C04 | C05 | N06 | 111.9° | 109.9° |
| C05 | C04 | H15 | 108.9° | 109.6° |
| C05 | C04 | H16 | 109.0° | 109.7° |
| C04 | C05 | H17 | 108.9° | 109.4° |
| C04 | C05 | H18 | 108.9° | 109.5° |
| N06 | C05 | H17 | 108.9° | 109.4° |
| N06 | C05 | H18 | 108.8° | 109.3° |
| C05 | N06 | H19 | 108.4° | 111.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.7° |
| H17 | C05 | H18 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H37 | C37 | H38 | 109.4° | 109.5° |
| H37 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H32 | 180.0° | 179.7° |
| C29 | C28 | C27 | H11 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.1° | 0.2° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H31 | 179.9° | 179.9° |
| C28 | C29 | C30 | H33 | 179.8° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.2° |
| C29 | C30 | C25 | H33 | 180.0° | 179.8° |
| C29 | C30 | C25 | C26 | 0.4° | 0.0° |
| C29 | C30 | C25 | N24 | 180.0° | 179.9° |
| C30 | C29 | C28 | H11 | 180.0° | 179.7° |
| C28 | C27 | C26 | H31 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.3° | 0.3° |
| C28 | C27 | C26 | H10 | 179.7° | 180.0° |
| C27 | C28 | C29 | H32 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.4° | 0.3° |
| C30 | C25 | C26 | N24 | 179.6° | 179.9° |
| C30 | C25 | N24 | C23 | 150.4° | 34.2° |
| C30 | C25 | C26 | H10 | 179.6° | 180.0° |
| C30 | C25 | N24 | H30 | 29.5° | 145.6° |
| C25 | C30 | C29 | H32 | 179.8° | 180.0° |
| C18 | C19 | C20 | H28 | 120.4° | 120.0° |
| C18 | C19 | C20 | H29 | 120.4° | 120.0° |
| C19 | C18 | C17 | H26 | 120.3° | 120.0° |
| C19 | C18 | C17 | H27 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 52.6° | 60.1° |
| C19 | C18 | C17 | C16 | 175.4° | 180.0° |
| C19 | C18 | C17 | C22 | 54.5° | 60.0° |
| C19 | C18 | C17 | H3 | 65.9° | 60.0° |
| C18 | C19 | C20 | H4 | 173.0° | 60.0° |
| C18 | C19 | C20 | H5 | 67.7° | 180.0° |
| C19 | C18 | H26 | H27 | 119.0° | 120.0° |
| C18 | C19 | H28 | H29 | 118.8° | 120.0° |
| C20 | C19 | C18 | C17 | 53.5° | 60.0° |
| C19 | C20 | C21 | H4 | 120.4° | 120.1° |
| C19 | C20 | C21 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 52.6° | 60.0° |
| C19 | C20 | H4 | H5 | 118.8° | 120.1° |
| C19 | C20 | C21 | H6 | 67.8° | 60.0° |
| C19 | C20 | C21 | H7 | 173.0° | 180.0° |
| C20 | C19 | C18 | H26 | 66.9° | 180.0° |
| C20 | C19 | C18 | H27 | 173.8° | 60.0° |
| C20 | C19 | H28 | H29 | 118.8° | 120.0° |
| C27 | C26 | C25 | H10 | 180.0° | 179.7° |
| C27 | C26 | C25 | N24 | 180.0° | 179.7° |
| C26 | C27 | C28 | H11 | 179.9° | 180.0° |
| C18 | C17 | C16 | C22 | 122.5° | 120.0° |
| C18 | C17 | C16 | H3 | 118.8° | 119.9° |
| C18 | C17 | C22 | H3 | 120.3° | 120.0° |
| C18 | C17 | C22 | C21 | 54.7° | 60.0° |
| C18 | C17 | C16 | C23 | 63.0° | 174.6° |
| C18 | C17 | C16 | N15 | 175.2° | 65.4° |
| C18 | C17 | C22 | H8 | 65.7° | 60.0° |
| C18 | C17 | C22 | H9 | 175.0° | 180.0° |
| C18 | C17 | C16 | H25 | 55.7° | 54.6° |
| C17 | C18 | H26 | H27 | 119.0° | 120.0° |
| C17 | C18 | C19 | H28 | 66.9° | 180.0° |
| C17 | C18 | C19 | H29 | 173.9° | 60.0° |
| C20 | C21 | C22 | C17 | 53.7° | 60.0° |
| C20 | C21 | C22 | H6 | 120.4° | 120.0° |
| C20 | C21 | C22 | H7 | 120.4° | 120.0° |
| C21 | C20 | H4 | H5 | 118.8° | 119.9° |
| C20 | C21 | H6 | H7 | 118.8° | 120.0° |
| C20 | C21 | C22 | H8 | 66.6° | 60.0° |
| C20 | C21 | C22 | H9 | 174.0° | 180.0° |
| C21 | C20 | C19 | H28 | 67.8° | 180.0° |
| C21 | C20 | C19 | H29 | 173.1° | 60.0° |
| C26 | C25 | N24 | C23 | 30.0° | 145.7° |
| C26 | C25 | N24 | H30 | 150.1° | 34.4° |
| C25 | C26 | C27 | H31 | 179.7° | 179.8° |
| C26 | C25 | C30 | H33 | 179.6° | 179.8° |
| C25 | N24 | C23 | H30 | 180.0° | 179.9° |
| C25 | N24 | C23 | O31 | 0.1° | 5.2° |
| C25 | N24 | C23 | C16 | 179.3° | 174.8° |
| N24 | C25 | C26 | H10 | 0.0° | 0.0° |
| N24 | C25 | C30 | H33 | 0.0° | 0.3° |
| N24 | C23 | O31 | C16 | 179.4° | 180.0° |
| N24 | C23 | C16 | C17 | 116.7° | 78.2° |
| N24 | C23 | C16 | N15 | 123.7° | 161.8° |
| N24 | C23 | C16 | H25 | 1.9° | 41.9° |
| O31 | C23 | C16 | C17 | 62.7° | 101.9° |
| O31 | C23 | C16 | N15 | 56.9° | 18.1° |
| O31 | C23 | C16 | H25 | 178.7° | 138.1° |
| O31 | C23 | N24 | H30 | 180.0° | 174.7° |
| C16 | C17 | C22 | H3 | 118.6° | 120.0° |
| C16 | C17 | C22 | C21 | 175.8° | 180.0° |
| C17 | C16 | C23 | N15 | 119.6° | 120.0° |
| C17 | C16 | C23 | H25 | 118.6° | 120.0° |
| C17 | C16 | N15 | H25 | 118.7° | 120.0° |
| C17 | C16 | N15 | C14 | 121.4° | 85.0° |
| C16 | C17 | C22 | H8 | 55.5° | 60.0° |
| C16 | C17 | C22 | H9 | 63.9° | 60.0° |
| C17 | C16 | N15 | H24 | 58.6° | 95.0° |
| C16 | C17 | C18 | H26 | 55.0° | 60.0° |
| C16 | C17 | C18 | H27 | 64.3° | 60.0° |
| C17 | C22 | C21 | H8 | 120.3° | 120.0° |
| C17 | C22 | C21 | H9 | 120.3° | 120.0° |
| C22 | C17 | C16 | C23 | 174.5° | 65.3° |
| C22 | C17 | C16 | N15 | 52.6° | 54.7° |
| C17 | C22 | C21 | H6 | 66.7° | 60.0° |
| C17 | C22 | C21 | H7 | 174.0° | 180.0° |
| C17 | C22 | H8 | H9 | 119.0° | 120.0° |
| C22 | C17 | C16 | H25 | 66.9° | 174.6° |
| C22 | C17 | C18 | H26 | 65.9° | 180.0° |
| C22 | C17 | C18 | H27 | 174.8° | 60.0° |
| C21 | C22 | C17 | H3 | 65.7° | 60.0° |
| C22 | C21 | C20 | H4 | 173.0° | 60.0° |
| C22 | C21 | C20 | H5 | 67.7° | 180.0° |
| C22 | C21 | H6 | H7 | 118.9° | 120.0° |
| C21 | C22 | H8 | H9 | 119.0° | 120.0° |
| C23 | C16 | N15 | H25 | 121.2° | 120.0° |
| C23 | C16 | N15 | C14 | 118.5° | 155.0° |
| C23 | C16 | C17 | H3 | 55.9° | 54.7° |
| C23 | C16 | N15 | H24 | 61.5° | 25.0° |
| C16 | C23 | N24 | H30 | 0.6° | 5.4° |
| C16 | N15 | C14 | H24 | 180.0° | 179.9° |
| C16 | N15 | C14 | O32 | 0.6° | 0.0° |
| C16 | N15 | C14 | C13 | 179.2° | 180.0° |
| N15 | C16 | C17 | H3 | 66.0° | 174.7° |
| N15 | C14 | O32 | C13 | 179.7° | 180.0° |
| N15 | C14 | C13 | C33 | 8.0° | 0.0° |
| N15 | C14 | C13 | C12 | 172.9° | 179.8° |
| C14 | N15 | C16 | H25 | 2.7° | 35.0° |
| O32 | C14 | C13 | C33 | 171.8° | 180.0° |
| O32 | C14 | C13 | C12 | 7.4° | 0.2° |
| O32 | C14 | N15 | H24 | 179.5° | 180.0° |
| C14 | C13 | C33 | C12 | 179.2° | 179.7° |
| C14 | C13 | C33 | C34 | 179.7° | 179.7° |
| C14 | C13 | C12 | C11 | 179.7° | 179.7° |
| C14 | C13 | C12 | H23 | 0.3° | 0.2° |
| C13 | C14 | N15 | H24 | 0.8° | 0.0° |
| C14 | C13 | C33 | H34 | 0.4° | 0.3° |
| C13 | C33 | C34 | H34 | 180.0° | 179.9° |
| C33 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C13 | C12 | H23 | 179.5° | 179.9° |
| C13 | C33 | C34 | H35 | 179.9° | 180.0° |
| C12 | C13 | C33 | C34 | 0.5° | 0.0° |
| C13 | C12 | C11 | H23 | 180.0° | 179.9° |
| C13 | C12 | C11 | C35 | 0.2° | 0.0° |
| C13 | C12 | C11 | C10 | 179.6° | 179.9° |
| C12 | C13 | C33 | H34 | 179.5° | 179.9° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | C11 | 0.2° | 0.0° |
| C33 | C34 | C35 | H36 | 179.7° | 179.9° |
| C12 | C11 | C35 | C34 | 0.2° | 0.0° |
| C12 | C11 | C35 | C10 | 179.7° | 180.0° |
| C12 | C11 | C10 | N09 | 81.2° | 90.0° |
| C12 | C11 | C10 | H1 | 159.1° | 150.0° |
| C12 | C11 | C10 | H2 | 38.5° | 30.0° |
| C12 | C11 | C35 | H36 | 179.8° | 180.0° |
| C34 | C35 | C11 | H36 | 180.0° | 180.0° |
| C34 | C35 | C11 | C10 | 179.9° | 180.0° |
| C35 | C34 | C33 | H34 | 179.9° | 179.9° |
| C35 | C11 | C10 | N09 | 98.5° | 90.0° |
| C35 | C11 | C10 | H1 | 21.1° | 30.0° |
| C35 | C11 | C10 | H2 | 141.8° | 150.0° |
| C35 | C11 | C12 | H23 | 179.8° | 179.9° |
| C11 | C35 | C34 | H35 | 179.8° | 180.0° |
| C11 | C10 | N09 | H1 | 119.7° | 120.0° |
| C11 | C10 | N09 | H2 | 119.7° | 120.0° |
| C11 | C10 | N09 | C08 | 104.2° | 180.0° |
| C11 | C10 | H1 | H2 | 120.9° | 120.0° |
| C11 | C10 | N09 | H22 | 75.8° | 0.0° |
| C10 | C11 | C12 | H23 | 0.5° | 0.0° |
| C10 | C11 | C35 | H36 | 0.0° | 0.0° |
| C37 | C02 | C01 | S03 | 117.5° | 120.4° |
| C37 | C02 | C01 | C07 | 119.1° | 120.6° |
| C37 | C02 | S03 | C07 | 120.2° | 119.9° |
| C37 | C02 | S03 | C04 | 87.6° | 171.2° |
| C37 | C02 | C07 | C08 | 88.4° | 58.1° |
| C37 | C02 | C07 | N06 | 144.8° | 178.2° |
| C37 | C02 | C01 | H12 | 180.0° | 60.4° |
| C37 | C02 | C01 | H13 | 60.0° | 59.6° |
| C37 | C02 | C01 | H14 | 60.0° | 179.6° |
| C37 | C02 | C07 | H21 | 28.8° | 61.7° |
| C02 | C37 | H37 | H38 | 120.0° | 120.0° |
| C02 | C37 | H37 | H39 | 120.0° | 120.0° |
| C02 | C37 | H38 | H39 | 120.0° | 120.0° |
| C01 | C02 | S03 | C07 | 122.0° | 119.8° |
| C01 | C02 | S03 | C04 | 154.6° | 68.4° |
| C01 | C02 | C07 | C08 | 30.6° | 62.4° |
| C01 | C02 | C07 | N06 | 96.2° | 57.7° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C01 | C02 | C07 | H21 | 147.8° | 177.8° |
| C01 | C02 | C37 | H37 | 180.0° | 60.0° |
| C01 | C02 | C37 | H38 | 60.0° | 180.0° |
| C01 | C02 | C37 | H39 | 60.0° | 60.0° |
| C10 | N09 | C08 | H22 | 180.0° | 180.0° |
| C10 | N09 | C08 | C07 | 179.6° | 180.0° |
| C10 | N09 | C08 | O36 | 0.6° | 0.0° |
| N09 | C10 | H1 | H2 | 120.9° | 120.0° |
| N09 | C08 | C07 | C02 | 71.8° | 80.0° |
| N09 | C08 | C07 | O36 | 179.8° | 180.0° |
| N09 | C08 | C07 | N06 | 161.1° | 159.6° |
| C08 | N09 | C10 | H1 | 15.5° | 60.0° |
| C08 | N09 | C10 | H2 | 136.1° | 60.0° |
| N09 | C08 | C07 | H21 | 45.4° | 39.8° |
| S03 | C02 | C07 | C08 | 151.8° | 177.9° |
| S03 | C02 | C07 | N06 | 25.0° | 62.0° |
| C02 | S03 | C04 | C05 | 65.8° | 51.3° |
| S03 | C02 | C01 | H12 | 62.5° | 60.0° |
| S03 | C02 | C01 | H13 | 57.5° | 180.0° |
| S03 | C02 | C01 | H14 | 177.5° | 60.0° |
| C02 | S03 | C04 | H15 | 54.5° | 171.1° |
| C02 | S03 | C04 | H16 | 173.9° | 68.4° |
| S03 | C02 | C07 | H21 | 91.0° | 58.1° |
| S03 | C02 | C37 | H37 | 62.2° | 60.4° |
| S03 | C02 | C37 | H38 | 177.8° | 59.6° |
| S03 | C02 | C37 | H39 | 57.8° | 179.6° |
| C07 | C02 | S03 | C04 | 32.6° | 51.4° |
| C02 | C07 | C08 | N06 | 127.2° | 120.4° |
| C02 | C07 | C08 | H21 | 117.1° | 119.9° |
| C02 | C07 | C08 | O36 | 108.5° | 100.0° |
| C02 | C07 | N06 | H21 | 116.4° | 120.2° |
| C02 | C07 | N06 | C05 | 57.5° | 72.6° |
| C07 | C02 | C01 | H12 | 60.9° | 179.0° |
| C07 | C02 | C01 | H13 | 179.1° | 60.9° |
| C07 | C02 | C01 | H14 | 59.2° | 59.0° |
| C02 | C07 | N06 | H19 | 63.2° | 52.4° |
| C07 | C02 | C37 | H37 | 60.1° | 179.5° |
| C07 | C02 | C37 | H38 | 59.9° | 59.5° |
| C07 | C02 | C37 | H39 | 179.9° | 60.5° |
| S03 | C04 | C05 | H15 | 120.3° | 119.7° |
| S03 | C04 | C05 | H16 | 120.3° | 119.8° |
| S03 | C04 | C05 | N06 | 33.4° | 62.0° |
| S03 | C04 | H15 | H16 | 119.0° | 120.5° |
| S03 | C04 | C05 | H17 | 153.8° | 58.1° |
| S03 | C04 | C05 | H18 | 86.9° | 177.9° |
| C08 | C07 | N06 | H21 | 116.2° | 119.7° |
| C08 | C07 | N06 | C05 | 175.1° | 167.2° |
| C08 | C07 | N06 | H19 | 64.2° | 67.7° |
| C07 | C08 | N09 | H22 | 0.4° | 0.0° |
| O36 | C08 | C07 | N06 | 18.7° | 20.4° |
| O36 | C08 | C07 | H21 | 134.4° | 140.2° |
| O36 | C08 | N09 | H22 | 179.4° | 180.0° |
| C07 | N06 | C05 | C04 | 25.3° | 72.6° |
| C07 | N06 | C05 | H19 | 120.7° | 125.0° |
| C07 | N06 | C05 | H17 | 95.1° | 47.5° |
| C07 | N06 | C05 | H18 | 145.7° | 167.3° |
| C04 | C05 | N06 | H17 | 120.4° | 120.1° |
| C04 | C05 | N06 | H18 | 120.4° | 120.1° |
| C05 | C04 | H15 | H16 | 119.1° | 120.5° |
| C04 | C05 | H17 | H18 | 118.9° | 119.9° |
| C04 | C05 | N06 | H19 | 95.3° | 52.4° |
| N06 | C05 | C04 | H15 | 86.9° | 178.3° |
| N06 | C05 | C04 | H16 | 153.7° | 57.8° |
| N06 | C05 | H17 | H18 | 118.9° | 119.7° |
| C05 | N06 | C07 | H21 | 58.9° | 47.5° |
| H1 | C10 | N09 | H22 | 164.5° | 120.0° |
| H2 | C10 | N09 | H22 | 43.9° | 120.0° |
| H3 | C17 | C22 | H8 | 174.0° | 180.0° |
| H3 | C17 | C22 | H9 | 54.7° | 60.0° |
| H3 | C17 | C16 | H25 | 174.5° | 65.3° |
| H3 | C17 | C18 | H26 | 173.8° | 60.0° |
| H3 | C17 | C18 | H27 | 54.4° | 180.0° |
| H4 | C20 | C21 | H6 | 52.6° | 180.0° |
| H4 | C20 | C21 | H7 | 66.6° | 59.9° |
| H4 | C20 | C19 | H28 | 52.6° | 60.0° |
| H4 | C20 | C19 | H29 | 66.6° | 180.0° |
| H5 | C20 | C21 | H6 | 171.9° | 60.0° |
| H5 | C20 | C21 | H7 | 52.7° | 60.0° |
| H5 | C20 | C19 | H28 | 171.9° | 60.0° |
| H5 | C20 | C19 | H29 | 52.7° | 60.0° |
| H6 | C21 | C22 | H8 | 173.0° | NaN° |
| H6 | C21 | C22 | H9 | 53.6° | 60.0° |
| H7 | C21 | C22 | H8 | 53.7° | 60.0° |
| H7 | C21 | C22 | H9 | 65.6° | 60.0° |
| H10 | C26 | C27 | H31 | 0.3° | 0.1° |
| H11 | C28 | C27 | H31 | 0.1° | 0.1° |
| H11 | C28 | C29 | H32 | 0.0° | 0.0° |
| H12 | C01 | H13 | H14 | 120.1° | 120.0° |
| H15 | C04 | C05 | H17 | 33.5° | 61.7° |
| H15 | C04 | C05 | H18 | 152.8° | 58.2° |
| H16 | C04 | C05 | H17 | 85.9° | 177.8° |
| H16 | C04 | C05 | H18 | 33.4° | 62.3° |
| H17 | C05 | N06 | H19 | 144.3° | 172.5° |
| H18 | C05 | N06 | H19 | 25.0° | 67.7° |
| H19 | N06 | C07 | H21 | 179.6° | 172.6° |
| H24 | N15 | C16 | H25 | 177.3° | 145.0° |
| H26 | C18 | C19 | H28 | 172.7° | 60.0° |
| H26 | C18 | C19 | H29 | 53.5° | 60.0° |
| H27 | C18 | C19 | H28 | 53.4° | 60.0° |
| H27 | C18 | C19 | H29 | 65.8° | 180.0° |
| H32 | C29 | C30 | H33 | 0.2° | 0.2° |
| H34 | C33 | C34 | H35 | 0.1° | 0.0° |
| H35 | C34 | C35 | H36 | 0.3° | 0.1° |
| H37 | C37 | H38 | H39 | 120.0° | 120.0° |
