A1EQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C11 | C10 | doub | 1.38Å | 1.47Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.46Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C12 | N01 | sing | 1.39Å | 1.53Å | |
| C17 | C16 | doub | 1.40Å | 1.60Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C33 | sing | 1.48Å | 1.62Å | |
| C14 | C15 | doub | 1.39Å | 1.59Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C07 | sing | 1.48Å | 1.65Å | |
| C13 | C09 | sing | 1.38Å | 1.46Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.64Å | Aromatic |
| C19 | C32 | sing | 1.48Å | 1.60Å | |
| C20 | C21 | sing | 1.54Å | 1.59Å | |
| C20 | C29 | sing | 1.55Å | 1.59Å | |
| C20 | N02 | sing | 1.49Å | 1.44Å | |
| C01 | C02 | doub | 1.34Å | 1.49Å | |
| C01 | C06 | sing | 1.46Å | 1.47Å | |
| C01 | N02 | sing | 1.40Å | 1.59Å | |
| C02 | C03 | sing | 1.51Å | 1.48Å | |
| C03 | C04 | sing | 1.51Å | 1.43Å | |
| C04 | C05 | sing | 1.41Å | 1.45Å | |
| C04 | C07 | doub | 1.37Å | 1.46Å | |
| C05 | C06 | doub | 1.36Å | 1.46Å | |
| C05 | O01 | sing | 1.36Å | 1.48Å | |
| C07 | C08 | sing | 1.48Å | 1.48Å | |
| C08 | C09 | doub | 1.40Å | 1.44Å | Aromatic |
| C09 | O01 | sing | 1.35Å | 1.47Å | |
| C23 | C28 | sing | 1.55Å | 1.58Å | |
| C23 | N02 | sing | 1.48Å | 1.46Å | |
| C24 | C25 | sing | 1.54Å | 1.57Å | |
| C24 | C31 | sing | 1.55Å | 1.58Å | |
| C24 | N01 | sing | 1.49Å | 1.46Å | |
| C26 | C27 | sing | 1.54Å | 1.57Å | |
| C27 | C30 | sing | 1.55Å | 1.60Å | |
| C27 | N01 | sing | 1.49Å | 1.42Å | |
| C28 | C29 | sing | 1.54Å | 1.44Å | |
| C30 | C31 | sing | 1.54Å | 1.43Å | |
| C32 | O04 | doub | 1.22Å | 1.32Å | |
| C32 | O05 | sing | 1.35Å | 1.32Å | |
| C33 | N03 | sing | 1.35Å | 1.52Å | |
| C33 | O06 | doub | 1.22Å | 1.24Å | |
| C34 | C35 | sing | 1.53Å | 1.66Å | |
| C34 | N03 | sing | 1.46Å | 1.57Å | |
| C35 | O07 | sing | 1.43Å | 1.45Å | |
| C36 | C37 | sing | 1.53Å | 1.61Å | |
| C36 | O07 | sing | 1.43Å | 1.50Å | |
| C37 | O08 | sing | 1.43Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.65Å | |
| C38 | O08 | sing | 1.43Å | 1.48Å | |
| C39 | C40 | sing | 1.53Å | 1.59Å | |
| C40 | C41 | sing | 1.53Å | 1.63Å | |
| C41 | C42 | sing | 1.53Å | 1.62Å | |
| C42 | C43 | sing | 1.53Å | 1.66Å | |
| C21 | O02 | sing | 1.43Å | 1.80Å | |
| C26 | O03 | sing | 1.43Å | 1.82Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| N03 | H53 | sing | 0.97Å | 1.00Å | |
| O05 | H56 | sing | 0.97Å | 0.95Å | |
| C22 | O02 | sing | 1.43Å | 1.82Å | |
| C25 | O03 | sing | 1.43Å | 1.83Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C28 | 110.9° | 107.6° |
| C22 | C23 | N02 | 108.3° | 106.8° |
| C23 | C22 | H1 | 109.9° | 109.6° |
| C23 | C22 | H2 | 109.8° | 109.6° |
| C22 | C23 | H16 | 110.4° | 112.4° |
| C23 | C22 | O02 | 107.9° | 108.8° |
| C10 | C11 | C12 | 119.8° | 120.2° |
| C11 | C10 | C08 | 120.4° | 119.7° |
| C10 | C11 | H4 | 120.1° | 119.9° |
| C11 | C10 | H5 | 119.8° | 120.2° |
| C11 | C12 | C13 | 119.4° | 120.4° |
| C11 | C12 | N01 | 122.7° | 119.8° |
| C12 | C11 | H4 | 120.1° | 119.9° |
| C10 | C08 | C07 | 123.0° | 120.9° |
| C10 | C08 | C09 | 119.1° | 120.3° |
| C08 | C10 | H5 | 119.8° | 120.1° |
| C13 | C12 | N01 | 117.9° | 119.8° |
| C12 | C13 | C09 | 120.9° | 120.0° |
| C12 | C13 | H7 | 119.6° | 120.0° |
| C12 | N01 | C24 | 125.2° | 111.0° |
| C12 | N01 | C27 | 124.9° | 111.1° |
| C16 | C17 | C18 | 118.7° | 120.4° |
| C17 | C16 | C15 | 121.6° | 120.1° |
| C17 | C16 | C33 | 125.4° | 119.9° |
| C16 | C17 | H6 | 120.7° | 119.8° |
| C17 | C18 | C19 | 120.5° | 120.2° |
| C18 | C17 | H6 | 120.7° | 119.8° |
| C17 | C18 | H9 | 119.7° | 120.0° |
| C15 | C16 | C33 | 112.9° | 119.9° |
| C16 | C15 | C14 | 119.5° | 119.9° |
| C16 | C15 | H8 | 120.2° | 120.1° |
| C16 | C33 | N03 | 120.2° | 120.0° |
| C16 | C33 | O06 | 120.0° | 120.0° |
| C15 | C14 | C19 | 120.4° | 119.7° |
| C15 | C14 | C07 | 113.9° | 120.2° |
| C14 | C15 | H8 | 120.2° | 120.0° |
| C19 | C14 | C07 | 125.6° | 120.2° |
| C14 | C19 | C18 | 119.3° | 119.8° |
| C14 | C19 | C32 | 121.3° | 120.1° |
| C14 | C07 | C04 | 114.6° | 121.0° |
| C14 | C07 | C08 | 124.1° | 121.1° |
| C13 | C09 | C08 | 120.4° | 119.4° |
| C13 | C09 | O01 | 116.4° | 120.5° |
| C09 | C13 | H7 | 119.6° | 120.0° |
| C18 | C19 | C32 | 119.4° | 120.1° |
| C19 | C18 | H9 | 119.8° | 119.9° |
| C19 | C32 | O04 | 119.7° | 120.0° |
| C19 | C32 | O05 | 119.9° | 120.0° |
| C21 | C20 | C29 | 110.0° | 107.6° |
| C21 | C20 | N02 | 107.9° | 106.9° |
| C20 | C21 | O02 | 106.3° | 108.8° |
| C21 | C20 | H10 | 110.0° | 112.4° |
| C20 | C21 | H14 | 110.3° | 109.6° |
| C20 | C21 | H15 | 110.3° | 109.6° |
| C29 | C20 | N02 | 106.6° | 103.9° |
| C20 | C29 | C28 | 106.0° | 104.6° |
| C29 | C20 | H10 | 110.0° | 112.5° |
| C20 | C29 | H26 | 110.4° | 110.4° |
| C20 | C29 | H27 | 110.3° | 110.4° |
| C20 | N02 | C01 | 118.5° | 128.5° |
| C20 | N02 | C23 | 105.1° | 103.0° |
| N02 | C20 | H10 | 112.2° | 113.1° |
| C02 | C01 | C06 | 116.8° | 121.7° |
| C02 | C01 | N02 | 124.8° | 119.1° |
| C01 | C02 | C03 | 121.3° | 118.6° |
| C01 | C02 | H11 | 119.3° | 120.7° |
| C06 | C01 | N02 | 118.4° | 119.1° |
| C01 | C06 | C05 | 120.2° | 122.8° |
| C01 | C06 | H13 | 119.9° | 118.6° |
| C01 | N02 | C23 | 119.1° | 128.5° |
| C02 | C03 | C04 | 120.6° | 117.6° |
| C03 | C02 | H11 | 119.4° | 120.7° |
| C02 | C03 | H12 | 106.6° | 107.8° |
| C02 | C03 | H3 | 106.6° | 107.8° |
| C03 | C04 | C05 | 118.7° | 119.2° |
| C03 | C04 | C07 | 122.8° | 120.4° |
| C04 | C03 | H12 | 106.6° | 107.8° |
| C04 | C03 | H3 | 106.6° | 107.9° |
| C05 | C04 | C07 | 118.5° | 120.5° |
| C04 | C05 | C06 | 122.4° | 120.1° |
| C04 | C05 | O01 | 122.8° | 120.7° |
| C04 | C07 | C08 | 121.3° | 118.0° |
| C06 | C05 | O01 | 114.8° | 119.2° |
| C05 | C06 | H13 | 119.9° | 118.6° |
| C05 | O01 | C09 | 116.2° | 122.0° |
| C07 | C08 | C09 | 117.9° | 118.8° |
| C08 | C09 | O01 | 123.3° | 120.1° |
| C28 | C23 | N02 | 104.5° | 103.9° |
| C23 | C28 | C29 | 104.7° | 104.6° |
| C28 | C23 | H16 | 110.5° | 112.5° |
| C23 | C28 | H24 | 110.6° | 110.4° |
| C23 | C28 | H25 | 110.6° | 110.4° |
| N02 | C23 | H16 | 112.2° | 113.0° |
| C25 | C24 | C31 | 110.2° | 107.6° |
| C25 | C24 | N01 | 105.7° | 106.8° |
| C25 | C24 | H17 | 111.3° | 112.4° |
| C24 | C25 | H18 | 109.1° | 109.6° |
| C24 | C25 | H19 | 109.1° | 109.6° |
| C24 | C25 | O03 | 110.9° | 108.8° |
| C31 | C24 | N01 | 105.0° | 103.9° |
| C24 | C31 | C30 | 104.4° | 104.7° |
| C31 | C24 | H17 | 111.2° | 112.5° |
| C24 | C31 | H30 | 110.7° | 110.4° |
| C24 | C31 | H31 | 110.7° | 110.4° |
| C24 | N01 | C27 | 108.1° | 102.8° |
| N01 | C24 | H17 | 113.1° | 113.1° |
| C26 | C27 | C30 | 109.9° | 107.6° |
| C26 | C27 | N01 | 104.7° | 106.8° |
| C27 | C26 | O03 | 107.7° | 108.8° |
| C27 | C26 | H21 | 109.9° | 109.6° |
| C27 | C26 | H22 | 109.9° | 109.5° |
| C26 | C27 | H23 | 111.3° | 112.4° |
| C30 | C27 | N01 | 106.3° | 104.0° |
| C27 | C30 | C31 | 106.7° | 104.7° |
| C30 | C27 | H23 | 110.8° | 112.5° |
| C27 | C30 | H28 | 110.2° | 110.4° |
| C27 | C30 | H29 | 110.2° | 110.4° |
| N01 | C27 | H23 | 113.6° | 113.1° |
| C29 | C28 | H24 | 110.6° | 110.4° |
| C29 | C28 | H25 | 110.6° | 110.4° |
| C28 | C29 | H26 | 110.3° | 110.4° |
| C28 | C29 | H27 | 110.3° | 110.4° |
| C31 | C30 | H28 | 110.1° | 110.4° |
| C31 | C30 | H29 | 110.1° | 110.3° |
| C30 | C31 | H30 | 110.7° | 110.4° |
| C30 | C31 | H31 | 110.7° | 110.4° |
| O04 | C32 | O05 | 120.4° | 120.0° |
| C32 | O05 | H56 | 109.5° | 117.0° |
| N03 | C33 | O06 | 119.7° | 120.0° |
| C33 | N03 | C34 | 112.0° | 120.0° |
| C33 | N03 | H53 | 124.0° | 120.0° |
| C35 | C34 | N03 | 111.2° | 109.4° |
| C34 | C35 | O07 | 109.2° | 109.5° |
| C35 | C34 | H32 | 109.0° | 109.5° |
| C35 | C34 | H33 | 109.1° | 109.5° |
| C34 | C35 | H34 | 109.5° | 109.5° |
| C34 | C35 | H35 | 109.6° | 109.5° |
| N03 | C34 | H32 | 109.1° | 109.5° |
| N03 | C34 | H33 | 109.0° | 109.5° |
| C34 | N03 | H53 | 124.0° | 120.0° |
| C35 | O07 | C36 | 112.3° | 114.0° |
| O07 | C35 | H34 | 109.5° | 109.5° |
| O07 | C35 | H35 | 109.5° | 109.5° |
| C37 | C36 | O07 | 108.3° | 109.5° |
| C36 | C37 | O08 | 107.8° | 109.5° |
| C37 | C36 | H36 | 109.8° | 109.5° |
| C37 | C36 | H37 | 109.7° | 109.5° |
| C36 | C37 | H38 | 109.9° | 109.5° |
| C36 | C37 | H39 | 109.9° | 109.5° |
| O07 | C36 | H36 | 109.8° | 109.5° |
| O07 | C36 | H37 | 109.8° | 109.5° |
| C37 | O08 | C38 | 111.8° | 114.0° |
| O08 | C37 | H38 | 109.9° | 109.4° |
| O08 | C37 | H39 | 109.9° | 109.5° |
| C39 | C38 | O08 | 107.8° | 109.5° |
| C38 | C39 | C40 | 107.8° | 109.5° |
| C39 | C38 | H40 | 109.9° | 109.5° |
| C39 | C38 | H41 | 109.9° | 109.5° |
| C38 | C39 | H42 | 109.9° | 109.4° |
| C38 | C39 | H43 | 109.9° | 109.5° |
| O08 | C38 | H40 | 109.9° | 109.5° |
| O08 | C38 | H41 | 109.9° | 109.5° |
| C39 | C40 | C41 | 104.1° | 109.5° |
| C40 | C39 | H42 | 109.9° | 109.5° |
| C40 | C39 | H43 | 109.9° | 109.5° |
| C39 | C40 | H44 | 110.8° | 109.5° |
| C39 | C40 | H45 | 110.8° | 109.5° |
| C40 | C41 | C42 | 107.1° | 109.5° |
| C41 | C40 | H44 | 110.8° | 109.4° |
| C41 | C40 | H45 | 110.8° | 109.5° |
| C40 | C41 | H46 | 110.0° | 109.5° |
| C40 | C41 | H47 | 110.1° | 109.5° |
| C41 | C42 | C43 | 109.1° | 109.4° |
| C42 | C41 | H46 | 110.1° | 109.4° |
| C42 | C41 | H47 | 110.0° | 109.5° |
| C41 | C42 | H48 | 109.6° | 109.5° |
| C41 | C42 | H49 | 109.6° | 109.5° |
| C43 | C42 | H48 | 109.6° | 109.5° |
| C43 | C42 | H49 | 109.6° | 109.5° |
| C42 | C43 | H50 | 109.5° | 109.5° |
| C42 | C43 | H51 | 109.5° | 109.6° |
| C42 | C43 | H52 | 109.4° | 109.4° |
| O02 | C21 | H14 | 110.2° | 109.6° |
| O02 | C21 | H15 | 110.2° | 109.6° |
| C21 | O02 | C22 | 109.5° | 114.5° |
| O03 | C26 | H21 | 109.9° | 109.6° |
| O03 | C26 | H22 | 109.9° | 109.6° |
| C26 | O03 | C25 | 114.0° | 114.6° |
| H1 | C22 | H2 | 109.5° | 109.6° |
| H1 | C22 | O02 | 109.9° | 109.6° |
| H2 | C22 | O02 | 109.9° | 109.7° |
| H12 | C03 | H3 | 109.4° | 107.6° |
| H14 | C21 | H15 | 109.5° | 109.7° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | O03 | 109.1° | 109.6° |
| H19 | C25 | O03 | 109.1° | 109.7° |
| H21 | C26 | H22 | 109.5° | 109.7° |
| H24 | C28 | H25 | 109.5° | 110.4° |
| H26 | C29 | H27 | 109.5° | 110.5° |
| H28 | C30 | H29 | 109.5° | 110.4° |
| H30 | C31 | H31 | 109.5° | 110.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.4° |
| H36 | C36 | H37 | 109.5° | 109.4° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.5° |
| H46 | C41 | H47 | 109.5° | 109.5° |
| H48 | C42 | H49 | 109.5° | 109.5° |
| H50 | C43 | H51 | 109.5° | 109.5° |
| H50 | C43 | H52 | 109.5° | 109.4° |
| H51 | C43 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | N02 | C20 | 81.4° | 70.4° |
| C22 | C23 | N02 | C01 | 142.9° | 109.6° |
| C22 | C23 | C28 | N02 | 116.4° | 113.0° |
| C22 | C23 | C28 | H16 | 122.7° | 124.3° |
| C22 | C23 | N02 | H16 | 122.0° | 124.2° |
| C22 | C23 | C28 | C29 | 84.8° | 86.9° |
| C23 | C22 | O02 | C21 | 39.2° | 54.4° |
| C23 | C22 | H1 | H2 | 120.7° | 120.2° |
| C23 | C22 | H1 | O02 | 118.6° | 119.4° |
| C23 | C22 | H2 | O02 | 118.6° | 119.4° |
| C22 | C23 | C28 | H24 | 156.0° | 154.3° |
| C22 | C23 | C28 | H25 | 34.4° | 31.9° |
| C10 | C11 | C12 | H4 | 180.0° | 179.6° |
| C11 | C10 | C08 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C10 | C11 | C12 | N01 | 179.6° | 179.9° |
| C11 | C10 | C08 | C07 | 179.9° | 179.9° |
| C11 | C10 | C08 | C09 | 0.4° | 0.0° |
| C12 | C11 | C10 | C08 | 0.6° | 0.1° |
| C11 | C12 | C13 | N01 | 179.2° | 180.0° |
| C11 | C12 | C13 | C09 | 0.0° | 0.0° |
| C11 | C12 | N01 | C24 | 9.0° | 33.1° |
| C11 | C12 | N01 | C27 | 153.9° | 146.9° |
| C12 | C11 | C10 | H5 | 179.4° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C10 | C08 | C07 | C14 | 1.5° | 0.0° |
| C10 | C08 | C09 | C13 | 0.1° | 0.0° |
| C10 | C08 | C07 | C04 | 179.8° | 180.0° |
| C10 | C08 | C07 | C09 | 179.7° | 179.9° |
| C10 | C08 | C09 | O01 | 179.3° | 180.0° |
| C08 | C10 | C11 | H4 | 179.4° | 179.7° |
| C12 | C13 | C09 | H7 | 180.0° | 179.9° |
| C12 | C13 | C09 | C08 | 0.3° | 0.0° |
| C12 | C13 | C09 | O01 | 179.5° | 180.0° |
| C13 | C12 | N01 | C24 | 170.2° | 146.9° |
| C13 | C12 | N01 | C27 | 26.9° | 33.1° |
| C13 | C12 | C11 | H4 | 179.6° | 179.7° |
| N01 | C12 | C13 | C09 | 179.2° | 180.0° |
| C12 | N01 | C24 | C25 | 79.1° | 48.4° |
| C12 | N01 | C24 | C31 | 164.3° | 161.9° |
| C12 | N01 | C24 | C27 | 165.3° | 118.8° |
| C12 | N01 | C27 | C26 | 68.6° | 48.4° |
| C12 | N01 | C27 | C30 | 175.2° | 161.9° |
| N01 | C12 | C11 | H4 | 0.4° | 0.3° |
| N01 | C12 | C13 | H7 | 0.8° | 0.0° |
| C12 | N01 | C24 | H17 | 42.9° | 75.7° |
| C12 | N01 | C27 | H23 | 53.1° | 75.7° |
| C16 | C17 | C18 | H6 | 180.0° | 179.7° |
| C17 | C16 | C15 | C33 | 178.7° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.1° |
| C17 | C16 | C33 | N03 | 46.6° | 0.0° |
| C17 | C16 | C33 | O06 | 138.3° | 180.0° |
| C17 | C16 | C15 | H8 | 179.6° | 180.0° |
| C16 | C17 | C18 | H9 | 178.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | C33 | 179.0° | 180.0° |
| C17 | C18 | C19 | C14 | 1.7° | 0.1° |
| C17 | C18 | C19 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | C32 | 179.4° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 1.0° | 0.1° |
| C16 | C15 | C14 | C07 | 178.8° | 180.0° |
| C15 | C16 | C33 | N03 | 132.0° | 180.0° |
| C15 | C16 | C33 | O06 | 43.1° | 0.1° |
| C15 | C16 | C17 | H6 | 179.5° | 179.7° |
| C33 | C16 | C15 | C14 | 179.1° | 180.0° |
| C16 | C33 | N03 | O06 | 175.2° | 180.0° |
| C16 | C33 | N03 | C34 | 177.1° | 180.0° |
| C33 | C16 | C17 | H6 | 1.0° | 0.3° |
| C33 | C16 | C15 | H8 | 0.9° | 0.1° |
| C16 | C33 | N03 | H53 | 2.9° | 0.0° |
| C15 | C14 | C19 | C07 | 177.5° | 179.9° |
| C15 | C14 | C19 | C18 | 1.6° | 0.1° |
| C15 | C14 | C19 | C32 | 179.5° | 180.0° |
| C15 | C14 | C07 | C04 | 83.6° | 75.0° |
| C15 | C14 | C07 | C08 | 94.8° | 104.9° |
| C14 | C19 | C18 | C32 | 178.9° | 179.9° |
| C19 | C14 | C07 | C04 | 94.0° | 105.1° |
| C19 | C14 | C07 | C08 | 87.6° | 75.0° |
| C14 | C19 | C32 | O04 | 2.4° | 0.1° |
| C14 | C19 | C32 | O05 | 178.5° | 180.0° |
| C19 | C14 | C15 | H8 | 179.0° | 180.0° |
| C14 | C19 | C18 | H9 | 178.3° | 180.0° |
| C07 | C14 | C19 | C18 | 179.1° | 180.0° |
| C07 | C14 | C19 | C32 | 2.0° | 0.1° |
| C14 | C07 | C04 | C03 | 1.1° | 0.0° |
| C14 | C07 | C04 | C05 | 179.4° | 180.0° |
| C14 | C07 | C04 | C08 | 178.5° | 180.0° |
| C14 | C07 | C08 | C09 | 178.8° | 180.0° |
| C07 | C14 | C15 | H8 | 1.2° | 0.1° |
| C13 | C09 | O01 | C05 | 179.9° | 180.0° |
| C13 | C09 | C08 | C07 | 179.6° | 180.0° |
| C13 | C09 | C08 | O01 | 179.2° | 180.0° |
| C18 | C19 | C32 | O04 | 178.7° | 180.0° |
| C18 | C19 | C32 | O05 | 0.4° | 0.1° |
| C19 | C18 | C17 | H6 | 178.9° | 179.7° |
| C19 | C32 | O04 | O05 | 179.1° | 180.0° |
| C32 | C19 | C18 | H9 | 0.7° | 0.1° |
| C19 | C32 | O05 | H56 | 179.1° | 180.0° |
| C21 | C20 | C29 | N02 | 116.7° | 113.1° |
| C21 | C20 | C29 | H10 | 121.4° | 124.3° |
| C21 | C20 | N02 | H10 | 121.4° | 124.2° |
| C21 | C20 | N02 | C01 | 134.1° | 109.6° |
| C21 | C20 | N02 | C23 | 89.9° | 70.4° |
| C21 | C20 | C29 | C28 | 108.6° | 87.0° |
| C20 | C21 | O02 | H14 | 119.5° | 119.8° |
| C20 | C21 | O02 | H15 | 119.5° | 119.8° |
| C20 | C21 | H14 | H15 | 121.5° | 120.3° |
| C21 | C20 | C29 | H26 | 10.8° | 31.8° |
| C21 | C20 | C29 | H27 | 131.9° | 154.3° |
| C20 | C21 | O02 | C22 | 32.9° | 54.3° |
| C29 | C20 | N02 | H10 | 120.5° | 122.2° |
| C29 | C20 | N02 | C01 | 107.8° | 136.8° |
| C20 | C29 | C28 | C23 | 13.9° | 0.0° |
| C29 | C20 | N02 | C23 | 28.3° | 43.2° |
| C20 | C29 | C28 | H26 | 119.5° | 118.8° |
| C20 | C29 | C28 | H27 | 119.4° | 118.8° |
| C29 | C20 | C21 | O02 | 92.1° | 49.1° |
| C29 | C20 | C21 | H14 | 148.5° | 168.9° |
| C29 | C20 | C21 | H15 | 27.4° | 70.7° |
| C20 | C29 | C28 | H24 | 105.3° | 118.8° |
| C20 | C29 | C28 | H25 | 133.2° | 118.8° |
| C20 | C29 | H26 | H27 | 121.6° | 122.4° |
| C20 | N02 | C01 | C02 | 73.0° | 180.0° |
| C20 | N02 | C01 | C06 | 105.8° | 0.1° |
| C20 | N02 | C01 | C23 | 129.9° | 180.0° |
| C20 | N02 | C23 | C28 | 36.8° | 43.2° |
| N02 | C20 | C29 | C28 | 8.0° | 26.1° |
| N02 | C20 | C21 | O02 | 23.8° | 62.0° |
| N02 | C20 | C21 | H14 | 95.7° | 57.8° |
| N02 | C20 | C21 | H15 | 143.3° | 178.3° |
| C20 | N02 | C23 | H16 | 156.6° | 165.4° |
| N02 | C20 | C29 | H26 | 127.5° | 144.9° |
| N02 | C20 | C29 | H27 | 111.4° | 92.6° |
| C02 | C01 | C06 | N02 | 178.9° | 180.0° |
| C01 | C02 | C03 | H11 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.1° |
| C02 | C01 | N02 | C23 | 157.1° | 0.0° |
| C01 | C02 | C03 | H12 | 121.7° | 122.0° |
| C02 | C01 | C06 | H13 | 180.0° | 180.0° |
| C01 | C02 | C03 | H3 | 121.4° | 122.1° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C01 | C06 | C05 | H13 | 180.0° | 179.9° |
| C01 | C06 | C05 | O01 | 180.0° | 180.0° |
| C06 | C01 | N02 | C23 | 24.1° | 180.0° |
| C06 | C01 | C02 | H11 | 179.8° | 180.0° |
| N02 | C01 | C02 | C03 | 179.0° | 180.0° |
| N02 | C01 | C06 | C05 | 178.9° | 180.0° |
| C01 | N02 | C23 | C28 | 98.9° | 136.8° |
| C01 | N02 | C20 | H10 | 12.7° | 14.6° |
| N02 | C01 | C02 | H11 | 1.0° | 0.0° |
| N02 | C01 | C06 | H13 | 1.1° | 0.0° |
| C01 | N02 | C23 | H16 | 20.8° | 14.6° |
| C02 | C03 | C04 | H12 | 121.6° | 122.0° |
| C02 | C03 | C04 | H3 | 121.6° | 122.1° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | C07 | 179.5° | 180.0° |
| C02 | C03 | H12 | H3 | 115.0° | 116.0° |
| C03 | C04 | C05 | C07 | 179.5° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C03 | C04 | C05 | O01 | 180.0° | 180.0° |
| C03 | C04 | C07 | C08 | 179.6° | 180.0° |
| C04 | C03 | C02 | H11 | 179.9° | 179.9° |
| C04 | C03 | H12 | H3 | 115.0° | 116.1° |
| C04 | C05 | C06 | O01 | 179.8° | 179.9° |
| C05 | C04 | C07 | C08 | 0.9° | 0.0° |
| C04 | C05 | O01 | C09 | 0.4° | 0.0° |
| C05 | C04 | C03 | H12 | 121.5° | 122.0° |
| C04 | C05 | C06 | H13 | 179.8° | 180.0° |
| C05 | C04 | C03 | H3 | 121.6° | 122.1° |
| C07 | C04 | C05 | C06 | 179.7° | 180.0° |
| C07 | C04 | C05 | O01 | 0.5° | 0.1° |
| C04 | C07 | C08 | C09 | 0.5° | 0.0° |
| C07 | C04 | C03 | H12 | 57.9° | 58.0° |
| C07 | C04 | C03 | H3 | 58.9° | 58.0° |
| C06 | C05 | O01 | C09 | 179.4° | 180.0° |
| C05 | O01 | C09 | C08 | 0.8° | 0.0° |
| O01 | C05 | C06 | H13 | 0.0° | 0.1° |
| C07 | C08 | C09 | O01 | 0.4° | 0.1° |
| C07 | C08 | C10 | H5 | 0.1° | 0.0° |
| C09 | C08 | C10 | H5 | 179.6° | 179.9° |
| C08 | C09 | C13 | H7 | 179.8° | 179.9° |
| O01 | C09 | C13 | H7 | 0.5° | 0.1° |
| C28 | C23 | N02 | H16 | 119.7° | 122.2° |
| C23 | C28 | C29 | H24 | 119.2° | 118.8° |
| C23 | C28 | C29 | H25 | 119.2° | 118.8° |
| C28 | C23 | C22 | H1 | 17.8° | 70.8° |
| C28 | C23 | C22 | H2 | 138.3° | 169.0° |
| C23 | C28 | H24 | H25 | 122.2° | 122.4° |
| C23 | C28 | C29 | H26 | 105.5° | 118.8° |
| C23 | C28 | C29 | H27 | 133.4° | 118.8° |
| C28 | C23 | C22 | O02 | 101.9° | 49.1° |
| N02 | C23 | C28 | C29 | 31.6° | 26.1° |
| N02 | C23 | C22 | H1 | 131.9° | 178.2° |
| N02 | C23 | C22 | H2 | 107.6° | 58.0° |
| C23 | N02 | C20 | H10 | 148.7° | 165.4° |
| N02 | C23 | C28 | H24 | 87.6° | 92.7° |
| N02 | C23 | C28 | H25 | 150.9° | 144.9° |
| N02 | C23 | C22 | O02 | 12.2° | 62.0° |
| C25 | C24 | C31 | N01 | 113.4° | 113.0° |
| C25 | C24 | C31 | H17 | 123.9° | 124.3° |
| C25 | C24 | N01 | H17 | 122.0° | 124.1° |
| C25 | C24 | N01 | C27 | 86.2° | 70.4° |
| C25 | C24 | C31 | C30 | 83.8° | 86.9° |
| C24 | C25 | O03 | C26 | 10.0° | 54.5° |
| C24 | C25 | H18 | H19 | 119.4° | 120.2° |
| C24 | C25 | H18 | O03 | 121.3° | 119.4° |
| C24 | C25 | H19 | O03 | 121.3° | 119.4° |
| C25 | C24 | C31 | H30 | 35.4° | 32.0° |
| C25 | C24 | C31 | H31 | 157.0° | 154.4° |
| C31 | C24 | N01 | H17 | 121.4° | 122.3° |
| C24 | C31 | C30 | C27 | 17.5° | 0.0° |
| C31 | C24 | N01 | C27 | 30.4° | 43.1° |
| C24 | C31 | C30 | H30 | 119.2° | 118.8° |
| C24 | C31 | C30 | H31 | 119.2° | 118.8° |
| C31 | C24 | C25 | H18 | 152.9° | 168.8° |
| C31 | C24 | C25 | H19 | 33.3° | 71.0° |
| C24 | C31 | C30 | H28 | 137.1° | 118.8° |
| C24 | C31 | C30 | H29 | 102.1° | 118.8° |
| C24 | C31 | H30 | H31 | 122.4° | 122.4° |
| C31 | C24 | C25 | O03 | 86.9° | 49.0° |
| C24 | N01 | C27 | C26 | 96.8° | 70.4° |
| C24 | N01 | C27 | C30 | 19.5° | 43.1° |
| N01 | C24 | C31 | C30 | 29.6° | 26.1° |
| N01 | C24 | C25 | H18 | 94.1° | 57.7° |
| N01 | C24 | C25 | H19 | 146.3° | 177.9° |
| C24 | N01 | C27 | H23 | 141.6° | 165.5° |
| N01 | C24 | C31 | H30 | 148.8° | 145.0° |
| N01 | C24 | C31 | H31 | 89.6° | 92.6° |
| N01 | C24 | C25 | O03 | 26.1° | 62.1° |
| C26 | C27 | C30 | N01 | 112.7° | 113.0° |
| C26 | C27 | C30 | H23 | 123.4° | 124.3° |
| C26 | C27 | N01 | H23 | 121.7° | 124.1° |
| C26 | C27 | C30 | C31 | 112.7° | 86.8° |
| C27 | C26 | O03 | H21 | 119.7° | 119.8° |
| C27 | C26 | O03 | H22 | 119.7° | 119.7° |
| C27 | C26 | H21 | H22 | 120.8° | 120.3° |
| C26 | C27 | C30 | H28 | 127.8° | 154.3° |
| C26 | C27 | C30 | H29 | 6.9° | 31.9° |
| C27 | C26 | O03 | C25 | 2.9° | 54.4° |
| C30 | C27 | N01 | H23 | 122.1° | 122.3° |
| C27 | C30 | C31 | H28 | 119.6° | 118.8° |
| C27 | C30 | C31 | H29 | 119.6° | 118.8° |
| C30 | C27 | C26 | O03 | 73.0° | 49.0° |
| C30 | C27 | C26 | H21 | 46.8° | 70.9° |
| C30 | C27 | C26 | H22 | 167.3° | 168.8° |
| C27 | C30 | H28 | H29 | 121.3° | 122.4° |
| C27 | C30 | C31 | H30 | 136.7° | 118.8° |
| C27 | C30 | C31 | H31 | 101.7° | 118.8° |
| N01 | C27 | C30 | C31 | 0.0° | 26.2° |
| N01 | C27 | C26 | O03 | 40.8° | 62.1° |
| C27 | N01 | C24 | H17 | 151.8° | 165.4° |
| N01 | C27 | C26 | H21 | 160.5° | 178.1° |
| N01 | C27 | C26 | H22 | 79.0° | 57.7° |
| N01 | C27 | C30 | H28 | 119.5° | 92.7° |
| N01 | C27 | C30 | H29 | 119.6° | 144.9° |
| C28 | C29 | C20 | H10 | 129.9° | 148.8° |
| C29 | C28 | C23 | H16 | 152.5° | 148.8° |
| C29 | C28 | H24 | H25 | 122.2° | 122.4° |
| C28 | C29 | H26 | H27 | 121.6° | 122.4° |
| C30 | C31 | C24 | H17 | 152.3° | 148.8° |
| C31 | C30 | C27 | H23 | 123.9° | 148.9° |
| C31 | C30 | H28 | H29 | 121.3° | 122.3° |
| C30 | C31 | H30 | H31 | 122.3° | 122.4° |
| O04 | C32 | O05 | H56 | 0.0° | 0.0° |
| C33 | N03 | C34 | C35 | 151.7° | 180.0° |
| C33 | N03 | C34 | H53 | 180.0° | 179.9° |
| C33 | N03 | C34 | H32 | 31.4° | 60.0° |
| C33 | N03 | C34 | H33 | 88.1° | 60.0° |
| O06 | C33 | N03 | C34 | 2.0° | 0.0° |
| O06 | C33 | N03 | H53 | 178.1° | 179.9° |
| C35 | C34 | N03 | H32 | 120.3° | 120.0° |
| C35 | C34 | N03 | H33 | 120.3° | 120.0° |
| C34 | C35 | O07 | H34 | 119.9° | 120.0° |
| C34 | C35 | O07 | H35 | 120.0° | 120.0° |
| C34 | C35 | O07 | C36 | 124.8° | 180.0° |
| C35 | C34 | H32 | H33 | 119.2° | 120.0° |
| C34 | C35 | H34 | H35 | 120.1° | 120.0° |
| C35 | C34 | N03 | H53 | 28.3° | 0.0° |
| N03 | C34 | C35 | O07 | 69.3° | 65.0° |
| N03 | C34 | H32 | H33 | 119.2° | 120.0° |
| N03 | C34 | C35 | H34 | 50.7° | 175.0° |
| N03 | C34 | C35 | H35 | 170.7° | 55.0° |
| C35 | O07 | C36 | C37 | 57.7° | 180.0° |
| O07 | C35 | C34 | H32 | 51.0° | 175.0° |
| O07 | C35 | C34 | H33 | 170.5° | 55.0° |
| O07 | C35 | H34 | H35 | 120.1° | 120.0° |
| C35 | O07 | C36 | H36 | 177.5° | 59.9° |
| C35 | O07 | C36 | H37 | 62.1° | 60.0° |
| C37 | C36 | O07 | H36 | 119.8° | 120.1° |
| C37 | C36 | O07 | H37 | 119.8° | 120.0° |
| C36 | C37 | O08 | H38 | 119.7° | 120.0° |
| C36 | C37 | O08 | H39 | 119.8° | 120.0° |
| C36 | C37 | O08 | C38 | 34.2° | 180.0° |
| C37 | C36 | H36 | H37 | 120.5° | 120.0° |
| C36 | C37 | H38 | H39 | 120.7° | 120.0° |
| O07 | C36 | C37 | O08 | 138.0° | 65.0° |
| C36 | O07 | C35 | H34 | 115.2° | 60.0° |
| C36 | O07 | C35 | H35 | 4.8° | 60.0° |
| O07 | C36 | H36 | H37 | 120.6° | 120.0° |
| O07 | C36 | C37 | H38 | 102.3° | 175.1° |
| O07 | C36 | C37 | H39 | 18.2° | 55.0° |
| C37 | O08 | C38 | C39 | 160.1° | 180.0° |
| O08 | C37 | C36 | H36 | 102.2° | 175.0° |
| O08 | C37 | C36 | H37 | 18.1° | 55.0° |
| O08 | C37 | H38 | H39 | 120.8° | 120.0° |
| C37 | O08 | C38 | H40 | 40.3° | 60.0° |
| C37 | O08 | C38 | H41 | 80.2° | 60.0° |
| C39 | C38 | O08 | H40 | 119.8° | 120.0° |
| C39 | C38 | O08 | H41 | 119.7° | 120.0° |
| C38 | C39 | C40 | H42 | 119.7° | 120.0° |
| C38 | C39 | C40 | H43 | 119.7° | 120.0° |
| C38 | C39 | C40 | C41 | 164.7° | 180.0° |
| C39 | C38 | H40 | H41 | 120.8° | 120.0° |
| C38 | C39 | H42 | H43 | 120.8° | 120.0° |
| C38 | C39 | C40 | H44 | 76.2° | 60.0° |
| C38 | C39 | C40 | H45 | 45.6° | 60.0° |
| O08 | C38 | C39 | C40 | 79.0° | 180.0° |
| C38 | O08 | C37 | H38 | 153.9° | 60.0° |
| C38 | O08 | C37 | H39 | 85.6° | 60.0° |
| O08 | C38 | H40 | H41 | 120.7° | 120.0° |
| O08 | C38 | C39 | H42 | 161.3° | 60.0° |
| O08 | C38 | C39 | H43 | 40.8° | 60.0° |
| C39 | C40 | C41 | H44 | 119.1° | 120.0° |
| C39 | C40 | C41 | H45 | 119.2° | 120.1° |
| C39 | C40 | C41 | C42 | 162.8° | 180.0° |
| C40 | C39 | C38 | H40 | 161.3° | 60.0° |
| C40 | C39 | C38 | H41 | 40.7° | 60.0° |
| C40 | C39 | H42 | H43 | 120.8° | 120.1° |
| C39 | C40 | H44 | H45 | 122.5° | 120.1° |
| C39 | C40 | C41 | H46 | 43.1° | 60.0° |
| C39 | C40 | C41 | H47 | 77.6° | 60.0° |
| C40 | C41 | C42 | H46 | 119.6° | 120.0° |
| C40 | C41 | C42 | H47 | 119.6° | 120.0° |
| C40 | C41 | C42 | C43 | 134.6° | 180.0° |
| C41 | C40 | C39 | H42 | 45.0° | 60.0° |
| C41 | C40 | C39 | H43 | 75.5° | 60.0° |
| C41 | C40 | H44 | H45 | 122.4° | 120.0° |
| C40 | C41 | H46 | H47 | 121.1° | 120.0° |
| C40 | C41 | C42 | H48 | 14.7° | 60.0° |
| C40 | C41 | C42 | H49 | 105.5° | 60.0° |
| C41 | C42 | C43 | H48 | 119.9° | 119.9° |
| C41 | C42 | C43 | H49 | 119.9° | 120.0° |
| C42 | C41 | C40 | H44 | 78.1° | 60.0° |
| C42 | C41 | C40 | H45 | 43.6° | 60.0° |
| C42 | C41 | H46 | H47 | 121.1° | 120.0° |
| C41 | C42 | H48 | H49 | 120.2° | 120.0° |
| C41 | C42 | C43 | H50 | 180.0° | 60.0° |
| C41 | C42 | C43 | H51 | 60.0° | 60.0° |
| C41 | C42 | C43 | H52 | 60.0° | 180.0° |
| C43 | C42 | C41 | H46 | 105.8° | 60.0° |
| C43 | C42 | C41 | H47 | 15.0° | 60.0° |
| C43 | C42 | H48 | H49 | 120.2° | 120.0° |
| C42 | C43 | H50 | H51 | 120.0° | 120.1° |
| C42 | C43 | H50 | H52 | 120.0° | 119.9° |
| C42 | C43 | H51 | H52 | 120.0° | 120.0° |
| C21 | O02 | C22 | H1 | 80.6° | 174.2° |
| C21 | O02 | C22 | H2 | 158.9° | 65.5° |
| O02 | C21 | C20 | H10 | 146.5° | 173.4° |
| O02 | C21 | H14 | H15 | 121.5° | 120.4° |
| C26 | O03 | C25 | H18 | 130.3° | 65.4° |
| C26 | O03 | C25 | H19 | 110.2° | 174.4° |
| O03 | C26 | H21 | H22 | 120.8° | 120.4° |
| O03 | C26 | C27 | H23 | 163.9° | 173.4° |
| H1 | C22 | H2 | O02 | 120.7° | 120.3° |
| H1 | C22 | C23 | H16 | 104.9° | 53.6° |
| H2 | C22 | C23 | H16 | 15.5° | 66.6° |
| H4 | C11 | C10 | H5 | 0.6° | 0.4° |
| H6 | C17 | C18 | H9 | 1.1° | 0.4° |
| H10 | C20 | C21 | H14 | 27.0° | 66.8° |
| H10 | C20 | C21 | H15 | 94.0° | 53.6° |
| H10 | C20 | C29 | H26 | 110.6° | 92.4° |
| H10 | C20 | C29 | H27 | 10.5° | 30.0° |
| H11 | C02 | C03 | H12 | 58.3° | 57.9° |
| H11 | C02 | C03 | H3 | 58.6° | 58.0° |
| H14 | C21 | O02 | C22 | 152.3° | 65.4° |
| H15 | C21 | O02 | C22 | 86.7° | 174.1° |
| H16 | C23 | C28 | H24 | 33.3° | 29.9° |
| H16 | C23 | C28 | H25 | 88.3° | 92.5° |
| H16 | C23 | C22 | O02 | 135.3° | 173.4° |
| H17 | C24 | C25 | H18 | 29.0° | 66.8° |
| H17 | C24 | C25 | H19 | 90.6° | 53.4° |
| H17 | C24 | C31 | H30 | 88.5° | 92.4° |
| H17 | C24 | C31 | H31 | 33.1° | 30.1° |
| H17 | C24 | C25 | O03 | 149.2° | 173.4° |
| H18 | C25 | H19 | O03 | 119.3° | 120.3° |
| H21 | C26 | C27 | H23 | 76.4° | 53.5° |
| H21 | C26 | O03 | C25 | 116.8° | 174.3° |
| H22 | C26 | C27 | H23 | 44.2° | 66.9° |
| H22 | C26 | O03 | C25 | 122.6° | 65.3° |
| H23 | C27 | C30 | H28 | 4.3° | 30.1° |
| H23 | C27 | C30 | H29 | 116.6° | 92.4° |
| H24 | C28 | C29 | H26 | 135.2° | 122.4° |
| H24 | C28 | C29 | H27 | 14.1° | 0.0° |
| H25 | C28 | C29 | H26 | 13.7° | 0.0° |
| H25 | C28 | C29 | H27 | 107.4° | 122.4° |
| H28 | C30 | C31 | H30 | 103.7° | 122.4° |
| H28 | C30 | C31 | H31 | 17.9° | 0.1° |
| H29 | C30 | C31 | H30 | 17.1° | 0.0° |
| H29 | C30 | C31 | H31 | 138.7° | 122.4° |
| H32 | C34 | C35 | H34 | 170.9° | 55.0° |
| H32 | C34 | C35 | H35 | 69.0° | 65.0° |
| H32 | C34 | N03 | H53 | 148.6° | 120.0° |
| H33 | C34 | C35 | H34 | 69.6° | 65.0° |
| H33 | C34 | C35 | H35 | 50.5° | 175.0° |
| H33 | C34 | N03 | H53 | 92.0° | 120.0° |
| H36 | C36 | C37 | H38 | 17.5° | 55.0° |
| H36 | C36 | C37 | H39 | 138.0° | 65.0° |
| H37 | C36 | C37 | H38 | 137.9° | 65.0° |
| H37 | C36 | C37 | H39 | 101.6° | 175.0° |
| H40 | C38 | C39 | H42 | 41.6° | 60.0° |
| H40 | C38 | C39 | H43 | 79.0° | 180.0° |
| H41 | C38 | C39 | H42 | 79.0° | 180.0° |
| H41 | C38 | C39 | H43 | 160.5° | 60.0° |
| H42 | C39 | C40 | H44 | 164.1° | 180.0° |
| H42 | C39 | C40 | H45 | 74.2° | 60.0° |
| H43 | C39 | C40 | H44 | 43.6° | 60.0° |
| H43 | C39 | C40 | H45 | 165.3° | 180.0° |
| H44 | C40 | C41 | H46 | 162.3° | 180.0° |
| H44 | C40 | C41 | H47 | 41.5° | 60.0° |
| H45 | C40 | C41 | H46 | 76.0° | 60.0° |
| H45 | C40 | C41 | H47 | 163.2° | 180.0° |
| H46 | C41 | C42 | H48 | 134.3° | 180.0° |
| H46 | C41 | C42 | H49 | 14.2° | 60.0° |
| H47 | C41 | C42 | H48 | 105.0° | 60.0° |
| H47 | C41 | C42 | H49 | 134.9° | 180.0° |
| H48 | C42 | C43 | H50 | 60.1° | 180.0° |
| H48 | C42 | C43 | H51 | 179.9° | 59.9° |
| H48 | C42 | C43 | H52 | 59.9° | 60.1° |
| H49 | C42 | C43 | H50 | 60.1° | 60.0° |
| H49 | C42 | C43 | H51 | 60.0° | 180.0° |
| H49 | C42 | C43 | H52 | 180.0° | 60.0° |
| H50 | C43 | H51 | H52 | 120.0° | 119.9° |
