JYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N36 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C21 | sing | 1.53Å | 1.33Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N36 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | doub | 1.35Å | 1.44Å | Aromatic |
| C15 | C01 | sing | 1.48Å | 1.55Å | |
| C15 | N37 | sing | 1.33Å | 1.57Å | Aromatic |
| C16 | S44 | sing | 1.76Å | 1.52Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C17 | N37 | doub | 1.29Å | 1.43Å | Aromatic |
| C17 | S44 | sing | 1.71Å | 1.54Å | Aromatic |
| C18 | N38 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | N38 | sing | 1.47Å | 1.48Å | |
| C20 | C31 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C28 | sing | 1.47Å | 1.53Å | |
| C22 | C23 | doub | 1.38Å | 1.53Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.53Å | Aromatic |
| C28 | N39 | trip | 1.14Å | 1.13Å | |
| C29 | O43 | sing | 1.43Å | 1.40Å | |
| C30 | N38 | sing | 1.47Å | 1.46Å | |
| C31 | N40 | sing | 1.47Å | 1.47Å | |
| C01 | C02 | doub | 1.40Å | 1.59Å | Aromatic |
| C01 | N34 | sing | 1.33Å | 1.47Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | N35 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.56Å | Aromatic |
| C03 | C07 | sing | 1.47Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.52Å | Aromatic |
| C04 | O43 | sing | 1.36Å | 1.39Å | |
| C05 | N34 | doub | 1.32Å | 1.46Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | N35 | sing | 1.35Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.57Å | |
| C08 | C09 | sing | 1.49Å | 1.55Å | |
| C08 | O41 | doub | 1.22Å | 1.18Å | |
| C09 | N36 | sing | 1.35Å | 1.48Å | |
| C09 | O42 | doub | 1.21Å | 1.19Å | |
| C32 | N40 | sing | 1.47Å | 1.45Å | |
| C33 | N40 | sing | 1.47Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | 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 | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C05 | H33 | sing | 1.08Å | 1.08Å | |
| C06 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| N35 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N36 | 117.3° | 108.8° |
| C10 | C11 | C12 | 114.3° | 109.3° |
| C11 | C10 | H1 | 107.5° | 109.7° |
| C11 | C10 | H2 | 107.5° | 109.6° |
| C10 | C11 | H3 | 108.3° | 109.5° |
| C10 | C11 | H4 | 108.3° | 109.5° |
| C10 | N36 | C14 | 115.8° | 118.7° |
| C10 | N36 | C09 | 121.9° | 120.6° |
| N36 | C10 | H1 | 107.5° | 109.5° |
| N36 | C10 | H2 | 107.5° | 109.5° |
| C11 | C12 | C13 | 110.2° | 109.5° |
| C11 | C12 | C21 | 124.5° | 109.5° |
| C12 | C11 | H3 | 108.2° | 109.5° |
| C12 | C11 | H4 | 108.3° | 109.5° |
| C11 | C12 | H5 | 90.2° | 109.5° |
| C13 | C12 | C21 | 125.2° | 109.5° |
| C12 | C13 | C14 | 114.1° | 109.3° |
| C13 | C12 | H5 | 90.2° | 109.5° |
| C12 | C13 | H6 | 108.3° | 109.5° |
| C12 | C13 | H7 | 108.3° | 109.5° |
| C12 | C21 | C22 | 119.8° | 109.5° |
| C12 | C21 | C28 | 118.5° | 109.5° |
| C21 | C12 | H5 | 90.3° | 109.4° |
| C12 | C21 | H19 | 95.8° | 109.4° |
| C13 | C14 | N36 | 116.6° | 108.8° |
| C14 | C13 | H6 | 108.3° | 109.5° |
| C14 | C13 | H7 | 108.3° | 109.5° |
| C13 | C14 | H8 | 107.7° | 109.6° |
| C13 | C14 | H9 | 107.6° | 109.6° |
| C14 | N36 | C09 | 122.2° | 120.7° |
| N36 | C14 | H8 | 107.7° | 109.6° |
| N36 | C14 | H9 | 107.7° | 109.6° |
| C16 | C15 | C01 | 125.9° | 123.0° |
| C16 | C15 | N37 | 108.2° | 114.0° |
| C15 | C16 | S44 | 107.9° | 107.8° |
| C15 | C16 | H10 | 126.1° | 126.1° |
| C01 | C15 | N37 | 125.9° | 123.0° |
| C15 | C01 | C02 | 120.0° | 119.9° |
| C15 | C01 | N34 | 119.8° | 119.8° |
| C15 | N37 | C17 | 108.2° | 117.1° |
| C16 | S44 | C17 | 107.7° | 90.5° |
| S44 | C16 | H10 | 126.0° | 126.1° |
| C18 | C17 | N37 | 125.9° | 124.7° |
| C18 | C17 | S44 | 126.1° | 124.8° |
| C17 | C18 | N38 | 109.6° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.4° |
| C17 | C18 | H14 | 109.4° | 109.5° |
| N37 | C17 | S44 | 107.9° | 110.5° |
| C18 | N38 | C19 | 109.8° | 111.0° |
| C18 | N38 | C30 | 108.7° | 111.0° |
| N38 | C18 | H13 | 109.4° | 109.5° |
| N38 | C18 | H14 | 109.4° | 109.5° |
| C20 | C19 | N38 | 109.9° | 109.5° |
| C19 | C20 | C31 | 109.9° | 109.5° |
| C20 | C19 | H15 | 109.4° | 109.4° |
| C20 | C19 | H16 | 109.4° | 109.4° |
| C19 | C20 | H17 | 109.4° | 109.4° |
| C19 | C20 | H18 | 109.4° | 109.5° |
| C19 | N38 | C30 | 108.9° | 111.0° |
| N38 | C19 | H15 | 109.4° | 109.5° |
| N38 | C19 | H16 | 109.4° | 109.5° |
| C20 | C31 | N40 | 110.2° | 109.4° |
| C31 | C20 | H17 | 109.3° | 109.5° |
| C31 | C20 | H18 | 109.4° | 109.5° |
| C20 | C31 | H31 | 109.3° | 109.5° |
| C20 | C31 | H32 | 109.3° | 109.5° |
| C22 | C21 | C28 | 119.2° | 109.5° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C21 | C22 | C27 | 119.8° | 120.0° |
| C22 | C21 | H19 | 95.0° | 109.5° |
| C21 | C28 | N39 | 179.7° | 179.9° |
| C28 | C21 | H19 | 95.1° | 109.4° |
| C23 | C22 | C27 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C22 | C23 | H20 | 119.9° | 120.0° |
| C22 | C27 | C26 | 120.1° | 120.0° |
| C22 | C27 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C24 | C23 | H20 | 119.9° | 120.0° |
| C23 | C24 | H21 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.1° | 119.9° |
| C25 | C24 | H21 | 120.1° | 120.0° |
| C24 | C25 | H22 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C26 | C25 | H22 | 120.0° | 120.0° |
| C25 | C26 | H23 | 120.0° | 119.9° |
| C27 | C26 | H23 | 120.0° | 120.0° |
| C26 | C27 | H24 | 120.0° | 120.0° |
| C29 | O43 | C04 | 113.6° | 117.0° |
| O43 | C29 | H25 | 109.5° | 109.5° |
| O43 | C29 | H26 | 109.5° | 109.4° |
| O43 | C29 | H27 | 109.4° | 109.5° |
| N38 | C30 | H28 | 109.5° | 109.5° |
| N38 | C30 | H29 | 109.4° | 109.5° |
| N38 | C30 | H30 | 109.5° | 109.5° |
| C31 | N40 | C32 | 109.0° | 111.0° |
| C31 | N40 | C33 | 109.3° | 111.0° |
| N40 | C31 | H31 | 109.3° | 109.5° |
| N40 | C31 | H32 | 109.3° | 109.5° |
| C02 | C01 | N34 | 120.2° | 120.4° |
| C01 | C02 | C03 | 120.9° | 118.5° |
| C01 | C02 | N35 | 130.4° | 133.8° |
| C01 | N34 | C05 | 119.5° | 122.4° |
| C03 | C02 | N35 | 108.6° | 107.7° |
| C02 | C03 | C04 | 118.9° | 118.9° |
| C02 | C03 | C07 | 107.2° | 106.0° |
| C02 | N35 | C06 | 107.9° | 110.8° |
| C02 | N35 | H41 | 126.0° | 124.7° |
| C04 | C03 | C07 | 134.0° | 135.1° |
| C03 | C04 | C05 | 120.3° | 118.7° |
| C03 | C04 | O43 | 121.8° | 120.7° |
| C03 | C07 | C06 | 107.9° | 106.0° |
| C03 | C07 | C08 | 128.8° | 127.0° |
| C05 | C04 | O43 | 117.9° | 120.6° |
| C04 | C05 | N34 | 120.3° | 121.1° |
| C04 | C05 | H33 | 119.9° | 119.4° |
| N34 | C05 | H33 | 119.9° | 119.5° |
| C07 | C06 | N35 | 108.4° | 109.5° |
| C06 | C07 | C08 | 123.3° | 127.0° |
| C07 | C06 | H34 | 125.8° | 125.3° |
| N35 | C06 | H34 | 125.8° | 125.2° |
| C06 | N35 | H41 | 126.1° | 124.6° |
| C07 | C08 | C09 | 121.6° | 120.0° |
| C07 | C08 | O41 | 119.2° | 120.0° |
| C09 | C08 | O41 | 119.3° | 120.0° |
| C08 | C09 | N36 | 118.8° | 119.9° |
| C08 | C09 | O42 | 120.6° | 120.0° |
| N36 | C09 | O42 | 120.6° | 120.0° |
| C32 | N40 | C33 | 109.0° | 111.0° |
| N40 | C32 | H35 | 109.5° | 109.5° |
| N40 | C32 | H36 | 109.4° | 109.5° |
| N40 | C32 | H37 | 109.5° | 109.5° |
| N40 | C33 | H38 | 109.5° | 109.5° |
| N40 | C33 | H39 | 109.5° | 109.5° |
| N40 | C33 | H40 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.6° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.5° |
| H25 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.4° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.4° |
| H35 | C32 | H37 | 109.4° | 109.4° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
| H38 | C33 | H40 | 109.5° | 109.4° |
| H39 | C33 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N36 | H1 | 121.1° | 119.8° |
| C11 | C10 | N36 | H2 | 121.1° | 119.8° |
| C10 | C11 | C12 | H3 | 120.7° | 119.9° |
| C10 | C11 | C12 | H4 | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 51.2° | 61.4° |
| C10 | C11 | C12 | C21 | 129.6° | 178.6° |
| C11 | C10 | N36 | C14 | 31.7° | 53.6° |
| C11 | C10 | N36 | C09 | 148.2° | 126.3° |
| C11 | C10 | H1 | H2 | 116.5° | 120.5° |
| C10 | C11 | H3 | H4 | 117.8° | 120.1° |
| C10 | C11 | C12 | H5 | 39.1° | 58.7° |
| N36 | C10 | C11 | C12 | 41.8° | 54.6° |
| C10 | N36 | C14 | C13 | 33.2° | 53.6° |
| C10 | N36 | C14 | C09 | 179.9° | 179.9° |
| C10 | N36 | C09 | C08 | 0.3° | 169.2° |
| C10 | N36 | C09 | O42 | 179.8° | 10.8° |
| N36 | C10 | H1 | H2 | 116.4° | 120.3° |
| N36 | C10 | C11 | H3 | 162.5° | 174.6° |
| N36 | C10 | C11 | H4 | 78.9° | 65.3° |
| C10 | N36 | C14 | H8 | 87.9° | 66.2° |
| C10 | N36 | C14 | H9 | 154.2° | 173.4° |
| C11 | C12 | C13 | C21 | 179.2° | 120.0° |
| C11 | C12 | C13 | H5 | 90.3° | 120.0° |
| C11 | C12 | C21 | H5 | 90.5° | 119.9° |
| C11 | C12 | C13 | C14 | 52.9° | 61.4° |
| C11 | C12 | C21 | C22 | 167.2° | 60.0° |
| C11 | C12 | C21 | C28 | 30.8° | 180.0° |
| C12 | C11 | C10 | H1 | 162.9° | 174.4° |
| C12 | C11 | C10 | H2 | 79.3° | 65.1° |
| C12 | C11 | H3 | H4 | 117.8° | 120.1° |
| C11 | C12 | C13 | H6 | 173.6° | 178.7° |
| C11 | C12 | C13 | H7 | 67.8° | 58.6° |
| C11 | C12 | C21 | H19 | 68.1° | 60.0° |
| C13 | C12 | C21 | H5 | 90.5° | 120.0° |
| C12 | C13 | C14 | H6 | 120.7° | 120.0° |
| C12 | C13 | C14 | H7 | 120.7° | 119.9° |
| C12 | C13 | C14 | N36 | 44.9° | 54.6° |
| C13 | C12 | C21 | C22 | 13.7° | 179.9° |
| C13 | C12 | C21 | C28 | 148.2° | 59.9° |
| C13 | C12 | C11 | H3 | 171.9° | 178.7° |
| C13 | C12 | C11 | H4 | 69.5° | 58.6° |
| C12 | C13 | H6 | H7 | 117.9° | 120.1° |
| C12 | C13 | C14 | H8 | 76.1° | 65.2° |
| C12 | C13 | C14 | H9 | 166.0° | 174.4° |
| C13 | C12 | C21 | H19 | 112.8° | 60.1° |
| C21 | C12 | C13 | C14 | 127.9° | 178.6° |
| C12 | C21 | C22 | C28 | 161.8° | 120.0° |
| C12 | C21 | C22 | H19 | 99.6° | 120.0° |
| C12 | C21 | C28 | H19 | 99.4° | 119.9° |
| C12 | C21 | C22 | C23 | 64.5° | 120.0° |
| C12 | C21 | C22 | C27 | 115.8° | 60.3° |
| C12 | C21 | C28 | N39 | 15.6° | 120.7° |
| C21 | C12 | C11 | H3 | 8.9° | 58.7° |
| C21 | C12 | C11 | H4 | 109.7° | 61.4° |
| C21 | C12 | C13 | H6 | 7.2° | 58.7° |
| C21 | C12 | C13 | H7 | 111.4° | 61.5° |
| C13 | C14 | N36 | H8 | 121.0° | 119.8° |
| C13 | C14 | N36 | H9 | 121.0° | 119.9° |
| C13 | C14 | N36 | C09 | 146.7° | 126.4° |
| C14 | C13 | C12 | H5 | 37.4° | 58.7° |
| C14 | C13 | H6 | H7 | 117.9° | 120.1° |
| C13 | C14 | H8 | H9 | 116.7° | 120.4° |
| C14 | N36 | C09 | C08 | 179.8° | 10.7° |
| C14 | N36 | C09 | O42 | 0.3° | 169.3° |
| C14 | N36 | C10 | H1 | 152.8° | 173.4° |
| C14 | N36 | C10 | H2 | 89.4° | 66.2° |
| N36 | C14 | C13 | H6 | 165.6° | 174.6° |
| N36 | C14 | C13 | H7 | 75.7° | 65.3° |
| N36 | C14 | H8 | H9 | 116.8° | 120.3° |
| C16 | C15 | C01 | N37 | 178.9° | 179.7° |
| C15 | C16 | S44 | H10 | 180.0° | 179.9° |
| C16 | C15 | N37 | C17 | 0.4° | 0.0° |
| C15 | C16 | S44 | C17 | 0.4° | 0.3° |
| C16 | C15 | C01 | C02 | 179.0° | 155.0° |
| C16 | C15 | C01 | N34 | 0.1° | 25.3° |
| C01 | C15 | C16 | S44 | 179.5° | 179.9° |
| C01 | C15 | N37 | C17 | 179.5° | 179.7° |
| C15 | C01 | C02 | N34 | 179.1° | 179.8° |
| C15 | C01 | C02 | C03 | 179.4° | 179.9° |
| C15 | C01 | C02 | N35 | 0.6° | 0.0° |
| C15 | C01 | N34 | C05 | 179.6° | 179.8° |
| C01 | C15 | C16 | H10 | 0.5° | 0.0° |
| N37 | C15 | C16 | S44 | 0.5° | 0.2° |
| C15 | N37 | C17 | C18 | 179.8° | 180.0° |
| C15 | N37 | C17 | S44 | 0.2° | 0.2° |
| N37 | C15 | C01 | C02 | 0.1° | 24.7° |
| N37 | C15 | C01 | N34 | 179.0° | 155.1° |
| N37 | C15 | C16 | H10 | 179.5° | 179.7° |
| C16 | S44 | C17 | C18 | 179.9° | 180.0° |
| C16 | S44 | C17 | N37 | 0.1° | 0.3° |
| C18 | C17 | N37 | S44 | 180.0° | 179.7° |
| C17 | C18 | N38 | H13 | 120.0° | 120.0° |
| C17 | C18 | N38 | H14 | 120.0° | 120.0° |
| C17 | C18 | N38 | C19 | 124.5° | 170.0° |
| C17 | C18 | N38 | C30 | 116.5° | 66.1° |
| C17 | C18 | H13 | H14 | 119.9° | 120.0° |
| N37 | C17 | C18 | N38 | 101.6° | 90.0° |
| N37 | C17 | C18 | H13 | 18.4° | 150.0° |
| N37 | C17 | C18 | H14 | 138.4° | 30.0° |
| S44 | C17 | C18 | N38 | 78.4° | 90.3° |
| C17 | S44 | C16 | H10 | 179.6° | 179.6° |
| S44 | C17 | C18 | H13 | 161.6° | 29.7° |
| S44 | C17 | C18 | H14 | 41.6° | 149.7° |
| C18 | N38 | C19 | C20 | 105.8° | 170.0° |
| C18 | N38 | C19 | C30 | 119.0° | 124.0° |
| N38 | C18 | H13 | H14 | 119.9° | 120.0° |
| C18 | N38 | C19 | H15 | 134.1° | 70.0° |
| C18 | N38 | C19 | H16 | 14.3° | 50.0° |
| C18 | N38 | C30 | H28 | 180.0° | 60.0° |
| C18 | N38 | C30 | H29 | 60.0° | 180.0° |
| C18 | N38 | C30 | H30 | 60.0° | 60.0° |
| C20 | C19 | N38 | H15 | 120.1° | 119.9° |
| C20 | C19 | N38 | H16 | 120.0° | 120.0° |
| C19 | C20 | C31 | H17 | 120.1° | 120.0° |
| C19 | C20 | C31 | H18 | 120.1° | 120.0° |
| C20 | C19 | N38 | C30 | 135.3° | 66.0° |
| C19 | C20 | C31 | N40 | 75.1° | 180.0° |
| C20 | C19 | H15 | H16 | 119.8° | 120.0° |
| C19 | C20 | H17 | H18 | 119.8° | 120.0° |
| C19 | C20 | C31 | H31 | 45.0° | 60.0° |
| C19 | C20 | C31 | H32 | 164.8° | 60.0° |
| N38 | C19 | C20 | C31 | 51.5° | 180.0° |
| C19 | N38 | C18 | H13 | 4.4° | 50.0° |
| C19 | N38 | C18 | H14 | 115.5° | 70.0° |
| N38 | C19 | H15 | H16 | 119.8° | 120.1° |
| N38 | C19 | C20 | H17 | 68.5° | 60.0° |
| N38 | C19 | C20 | H18 | 171.6° | 60.0° |
| C19 | N38 | C30 | H28 | 60.4° | 176.1° |
| C19 | N38 | C30 | H29 | 59.6° | 56.1° |
| C19 | N38 | C30 | H30 | 179.6° | 64.0° |
| C20 | C31 | N40 | H31 | 120.1° | 120.0° |
| C20 | C31 | N40 | H32 | 120.1° | 120.0° |
| C20 | C31 | N40 | C32 | 129.0° | 66.0° |
| C20 | C31 | N40 | C33 | 112.0° | 170.0° |
| C31 | C20 | C19 | H15 | 68.6° | 60.0° |
| C31 | C20 | C19 | H16 | 171.6° | 60.0° |
| C31 | C20 | H17 | H18 | 119.8° | 120.0° |
| C20 | C31 | H31 | H32 | 119.7° | 120.0° |
| C22 | C21 | C28 | H19 | 98.6° | 120.0° |
| C21 | C22 | C23 | C27 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C27 | C26 | 179.9° | 179.8° |
| C22 | C21 | C28 | N39 | 146.4° | 0.7° |
| C22 | C21 | C12 | H5 | 76.8° | 59.9° |
| C21 | C22 | C23 | H20 | 0.1° | 0.0° |
| C21 | C22 | C27 | H24 | 0.1° | 0.0° |
| C28 | C21 | C22 | C23 | 133.8° | 120.0° |
| C28 | C21 | C22 | C27 | 45.9° | 59.7° |
| C28 | C21 | C12 | H5 | 121.3° | 60.1° |
| C22 | C23 | C24 | H20 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C22 | C27 | C26 | 0.2° | 0.5° |
| C23 | C22 | C21 | H19 | 35.1° | 0.0° |
| C22 | C23 | C24 | H21 | 179.7° | 180.0° |
| C23 | C22 | C27 | H24 | 179.8° | 179.7° |
| C27 | C22 | C23 | C24 | 0.4° | 0.3° |
| C22 | C27 | C26 | C25 | 0.0° | 0.4° |
| C22 | C27 | C26 | H24 | 180.0° | 179.8° |
| C27 | C22 | C21 | H19 | 144.6° | 179.7° |
| C27 | C22 | C23 | H20 | 179.6° | 179.7° |
| C22 | C27 | C26 | H23 | 180.0° | 179.7° |
| C23 | C24 | C25 | H21 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H22 | 179.9° | 179.9° |
| C24 | C25 | C26 | H22 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | H20 | 179.7° | 180.0° |
| C24 | C25 | C26 | H23 | 179.9° | 180.0° |
| C25 | C26 | C27 | H23 | 180.0° | 179.8° |
| C26 | C25 | C24 | H21 | 179.9° | 180.0° |
| C25 | C26 | C27 | H24 | 180.0° | 179.7° |
| C27 | C26 | C25 | H22 | 179.9° | 179.8° |
| N39 | C28 | C21 | H19 | 115.0° | 119.4° |
| C29 | O43 | C04 | C03 | 143.6° | 180.0° |
| C29 | O43 | C04 | C05 | 36.4° | 0.0° |
| O43 | C29 | H25 | H26 | 120.0° | 119.9° |
| O43 | C29 | H25 | H27 | 120.0° | 120.1° |
| O43 | C29 | H26 | H27 | 120.0° | 120.0° |
| C30 | N38 | C18 | H13 | 123.5° | 174.0° |
| C30 | N38 | C18 | H14 | 3.5° | 53.9° |
| C30 | N38 | C19 | H15 | 15.2° | 53.9° |
| C30 | N38 | C19 | H16 | 104.7° | 174.0° |
| N38 | C30 | H28 | H29 | 120.0° | 120.1° |
| N38 | C30 | H28 | H30 | 120.0° | 120.0° |
| N38 | C30 | H29 | H30 | 120.0° | 120.0° |
| C31 | N40 | C32 | C33 | 119.2° | 124.0° |
| N40 | C31 | C20 | H17 | 164.8° | 60.1° |
| N40 | C31 | C20 | H18 | 45.0° | 60.0° |
| N40 | C31 | H31 | H32 | 119.7° | 120.0° |
| C31 | N40 | C32 | H35 | 180.0° | 60.0° |
| C31 | N40 | C32 | H36 | 60.0° | 180.0° |
| C31 | N40 | C32 | H37 | 60.0° | 60.0° |
| C31 | N40 | C33 | H38 | 180.0° | 59.9° |
| C31 | N40 | C33 | H39 | 60.0° | 180.0° |
| C31 | N40 | C33 | H40 | 60.0° | 60.0° |
| C01 | C02 | C03 | N35 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C01 | C02 | C03 | C07 | 179.7° | 180.0° |
| C02 | C01 | N34 | C05 | 0.5° | 0.4° |
| C01 | C02 | N35 | C06 | 179.8° | 180.0° |
| C01 | C02 | N35 | H41 | 0.2° | 0.0° |
| N34 | C01 | C02 | C03 | 0.3° | 0.2° |
| N34 | C01 | C02 | N35 | 179.7° | 179.8° |
| C01 | N34 | C05 | C04 | 0.4° | 0.4° |
| C01 | N34 | C05 | H33 | 179.6° | 179.8° |
| C02 | C03 | C04 | C07 | 179.6° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | C04 | O43 | 180.0° | 180.0° |
| C02 | C03 | C07 | C06 | 0.3° | 0.1° |
| C03 | C02 | N35 | C06 | 0.2° | 0.0° |
| C02 | C03 | C07 | C08 | 179.7° | 179.9° |
| C03 | C02 | N35 | H41 | 179.8° | 180.0° |
| N35 | C02 | C03 | C04 | 180.0° | 180.0° |
| N35 | C02 | C03 | C07 | 0.3° | 0.1° |
| C02 | N35 | C06 | C07 | 0.0° | 0.0° |
| C02 | N35 | C06 | H41 | 180.0° | 180.0° |
| C02 | N35 | C06 | H34 | 180.0° | 180.0° |
| C03 | C04 | C05 | O43 | 179.9° | 180.0° |
| C03 | C04 | C05 | N34 | 0.1° | 0.2° |
| C04 | C03 | C07 | C06 | 179.9° | 180.0° |
| C04 | C03 | C07 | C08 | 0.6° | 0.1° |
| C03 | C04 | C05 | H33 | 179.9° | 179.9° |
| C07 | C03 | C04 | C05 | 179.7° | 180.0° |
| C07 | C03 | C04 | O43 | 0.4° | 0.1° |
| C03 | C07 | C06 | C08 | 179.5° | 179.9° |
| C03 | C07 | C06 | N35 | 0.2° | 0.1° |
| C03 | C07 | C08 | C09 | 31.9° | 180.0° |
| C03 | C07 | C08 | O41 | 148.0° | 0.1° |
| C03 | C07 | C06 | H34 | 179.8° | 180.0° |
| C04 | C05 | N34 | H33 | 180.0° | 179.7° |
| O43 | C04 | C05 | N34 | 179.8° | 179.8° |
| C04 | O43 | C29 | H25 | 180.0° | 180.0° |
| C04 | O43 | C29 | H26 | 60.0° | 60.0° |
| C04 | O43 | C29 | H27 | 60.0° | 60.0° |
| O43 | C04 | C05 | H33 | 0.2° | 0.1° |
| C07 | C06 | N35 | H34 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 148.7° | 0.1° |
| C06 | C07 | C08 | O41 | 31.3° | 180.0° |
| C07 | C06 | N35 | H41 | 180.0° | 180.0° |
| N35 | C06 | C07 | C08 | 179.7° | 179.9° |
| C07 | C08 | C09 | O41 | 180.0° | 179.9° |
| C07 | C08 | C09 | N36 | 112.4° | 114.4° |
| C07 | C08 | C09 | O42 | 67.1° | 65.6° |
| C08 | C07 | C06 | H34 | 0.4° | 0.1° |
| C08 | C09 | N36 | O42 | 179.6° | 180.0° |
| O41 | C08 | C09 | N36 | 67.6° | 65.7° |
| O41 | C08 | C09 | O42 | 112.9° | 114.3° |
| C09 | N36 | C10 | H1 | 27.1° | 6.5° |
| C09 | N36 | C10 | H2 | 90.7° | 113.9° |
| C09 | N36 | C14 | H8 | 92.2° | 113.8° |
| C09 | N36 | C14 | H9 | 25.7° | 6.5° |
| C32 | N40 | C31 | H31 | 8.8° | 54.0° |
| C32 | N40 | C31 | H32 | 110.9° | 173.9° |
| N40 | C32 | H35 | H36 | 120.0° | 120.1° |
| N40 | C32 | H35 | H37 | 120.0° | 120.0° |
| N40 | C32 | H36 | H37 | 120.0° | 120.0° |
| C32 | N40 | C33 | H38 | 61.0° | 176.1° |
| C32 | N40 | C33 | H39 | 59.0° | 56.0° |
| C32 | N40 | C33 | H40 | 179.0° | 64.0° |
| C33 | N40 | C31 | H31 | 127.9° | 70.0° |
| C33 | N40 | C31 | H32 | 8.1° | 50.0° |
| C33 | N40 | C32 | H35 | 60.7° | 64.0° |
| C33 | N40 | C32 | H36 | 179.2° | 56.0° |
| C33 | N40 | C32 | H37 | 59.2° | 176.0° |
| N40 | C33 | H38 | H39 | 120.0° | 120.1° |
| N40 | C33 | H38 | H40 | 120.0° | 120.0° |
| N40 | C33 | H39 | H40 | 120.0° | 120.0° |
| H1 | C10 | C11 | H3 | 76.4° | 65.7° |
| H1 | C10 | C11 | H4 | 42.2° | 54.4° |
| H2 | C10 | C11 | H3 | 41.4° | 54.8° |
| H2 | C10 | C11 | H4 | 160.0° | 174.9° |
| H3 | C11 | C12 | H5 | 81.6° | 61.3° |
| H4 | C11 | C12 | H5 | 159.8° | 178.6° |
| H5 | C12 | C13 | H6 | 83.2° | 61.3° |
| H5 | C12 | C13 | H7 | 158.1° | 178.6° |
| H5 | C12 | C21 | H19 | 22.3° | 180.0° |
| H6 | C13 | C14 | H8 | 44.6° | 54.8° |
| H6 | C13 | C14 | H9 | 73.4° | 65.6° |
| H7 | C13 | C14 | H8 | 163.2° | 174.9° |
| H7 | C13 | C14 | H9 | 45.3° | 54.5° |
| H15 | C19 | C20 | H17 | 171.4° | 60.0° |
| H15 | C19 | C20 | H18 | 51.5° | 180.0° |
| H16 | C19 | C20 | H17 | 51.5° | 180.0° |
| H16 | C19 | C20 | H18 | 68.4° | 60.0° |
| H17 | C20 | C31 | H31 | 75.1° | 180.0° |
| H17 | C20 | C31 | H32 | 44.7° | 60.0° |
| H18 | C20 | C31 | H31 | 165.1° | 60.0° |
| H18 | C20 | C31 | H32 | 75.1° | NaN° |
| H20 | C23 | C24 | H21 | 0.3° | 0.0° |
| H21 | C24 | C25 | H22 | 0.1° | 0.0° |
| H22 | C25 | C26 | H23 | 0.1° | 0.0° |
| H23 | C26 | C27 | H24 | 0.0° | 0.1° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H34 | C06 | N35 | H41 | 0.0° | 0.0° |
| H35 | C32 | H36 | H37 | 120.0° | 119.9° |
| H38 | C33 | H39 | H40 | 120.0° | 119.9° |
