0AX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C29 | sing | 1.46Å | 1.52Å | |
| N30 | C31 | sing | 1.33Å | 1.51Å | |
| O32 | C31 | doub | 1.21Å | 1.18Å | |
| C29 | C28 | sing | 1.53Å | 1.49Å | |
| C31 | C26 | sing | 1.50Å | 1.61Å | |
| O44 | C35 | doub | 1.21Å | 1.17Å | |
| C28 | C27 | sing | 1.53Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.42Å | |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C35 | N36 | sing | 1.35Å | 1.45Å | |
| C37 | C38 | sing | 1.51Å | 1.55Å | |
| C37 | N36 | sing | 1.46Å | 1.45Å | |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C33 | sing | 1.53Å | 1.51Å | |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| N23 | C02 | sing | 1.35Å | 1.43Å | |
| O22 | C12 | doub | 1.22Å | 1.19Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.51Å | |
| C12 | N11 | sing | 1.35Å | 1.44Å | |
| C13 | O21 | sing | 1.35Å | 1.33Å | Aromatic |
| C03 | N11 | sing | 1.47Å | 1.42Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| O21 | C20 | sing | 1.35Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C10 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.08Å | 1.08Å | |
| C40 | H34 | sing | 1.08Å | 1.08Å | |
| C41 | H35 | sing | 1.08Å | 1.08Å | |
| C42 | H36 | sing | 1.08Å | 1.08Å | |
| C43 | H37 | sing | 1.08Å | 1.08Å | |
| N11 | H38 | sing | 0.97Å | 1.00Å | |
| N23 | H39 | sing | 0.97Å | 1.00Å | |
| N30 | H40 | sing | 0.97Å | 1.00Å | |
| N36 | H41 | sing | 0.97Å | 1.00Å | |
| O34 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N30 | C31 | 120.9° | 124.2° |
| N30 | C29 | C28 | 113.4° | 110.4° |
| N30 | C29 | H28 | 108.5° | 109.3° |
| N30 | C29 | H29 | 108.5° | 109.2° |
| C29 | N30 | H40 | 119.6° | 117.9° |
| N30 | C31 | O32 | 123.6° | 118.3° |
| N30 | C31 | C26 | 116.0° | 123.5° |
| C31 | N30 | H40 | 119.5° | 117.9° |
| O32 | C31 | C26 | 120.3° | 118.3° |
| C29 | C28 | C27 | 111.8° | 108.7° |
| C29 | C28 | H26 | 108.9° | 109.6° |
| C29 | C28 | H27 | 108.9° | 109.7° |
| C28 | C29 | H28 | 108.5° | 109.3° |
| C28 | C29 | H29 | 108.5° | 109.2° |
| C31 | C26 | C25 | 106.7° | 109.4° |
| C31 | C26 | C27 | 112.6° | 109.9° |
| C31 | C26 | H23 | 108.2° | 109.3° |
| O44 | C35 | C33 | 123.0° | 120.0° |
| O44 | C35 | N36 | 121.7° | 120.0° |
| C28 | C27 | C26 | 114.6° | 108.4° |
| C28 | C27 | H24 | 108.2° | 109.7° |
| C28 | C27 | H25 | 108.2° | 109.7° |
| C27 | C28 | H26 | 108.9° | 109.6° |
| C27 | C28 | H27 | 108.9° | 109.6° |
| C26 | C25 | C24 | 109.1° | 109.5° |
| C25 | C26 | C27 | 110.1° | 109.4° |
| C26 | C25 | H21 | 109.6° | 109.5° |
| C26 | C25 | H22 | 109.6° | 109.5° |
| C25 | C26 | H23 | 108.6° | 109.4° |
| C25 | C24 | C33 | 117.7° | 109.4° |
| C25 | C24 | N23 | 109.2° | 109.4° |
| C25 | C24 | H20 | 109.8° | 109.5° |
| C24 | C25 | H21 | 109.6° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.4° |
| C27 | C26 | H23 | 110.6° | 109.4° |
| C26 | C27 | H24 | 108.2° | 109.7° |
| C26 | C27 | H25 | 108.2° | 109.7° |
| C42 | C43 | C38 | 120.4° | 120.0° |
| C43 | C42 | C41 | 120.7° | 120.0° |
| C43 | C42 | H36 | 119.7° | 120.0° |
| C42 | C43 | H37 | 119.8° | 120.0° |
| C43 | C38 | C37 | 122.2° | 120.0° |
| C43 | C38 | C39 | 118.3° | 120.0° |
| C38 | C43 | H37 | 119.8° | 120.0° |
| C42 | C41 | C40 | 119.3° | 120.0° |
| C42 | C41 | H35 | 120.4° | 120.0° |
| C41 | C42 | H36 | 119.6° | 120.0° |
| C33 | C35 | N36 | 115.3° | 120.0° |
| C35 | C33 | C24 | 110.6° | 109.4° |
| C35 | C33 | O34 | 109.6° | 109.4° |
| C35 | C33 | H30 | 108.5° | 109.5° |
| C35 | N36 | C37 | 119.2° | 120.0° |
| C35 | N36 | H41 | 120.4° | 120.0° |
| C38 | C37 | N36 | 105.4° | 109.5° |
| C37 | C38 | C39 | 119.5° | 120.0° |
| C38 | C37 | H31 | 110.5° | 109.4° |
| C38 | C37 | H32 | 110.5° | 109.5° |
| N36 | C37 | H31 | 110.5° | 109.4° |
| N36 | C37 | H32 | 110.5° | 109.5° |
| C37 | N36 | H41 | 120.4° | 120.0° |
| C38 | C39 | C40 | 121.2° | 120.0° |
| C38 | C39 | H33 | 119.4° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H34 | 119.9° | 120.0° |
| C40 | C41 | H35 | 120.4° | 120.0° |
| C33 | C24 | N23 | 98.8° | 109.5° |
| C24 | C33 | O34 | 109.7° | 109.5° |
| C33 | C24 | H20 | 110.0° | 109.5° |
| C24 | C33 | H30 | 108.6° | 109.5° |
| C24 | N23 | C02 | 119.0° | 120.0° |
| N23 | C24 | H20 | 110.7° | 109.5° |
| C24 | N23 | H39 | 120.5° | 120.0° |
| O34 | C33 | H30 | 109.7° | 109.5° |
| C33 | O34 | H42 | 109.5° | 114.0° |
| C40 | C39 | H33 | 119.4° | 120.0° |
| C39 | C40 | H34 | 119.9° | 120.1° |
| N23 | C02 | O01 | 119.8° | 120.0° |
| N23 | C02 | C03 | 116.8° | 120.0° |
| C02 | N23 | H39 | 120.5° | 120.0° |
| O22 | C12 | C13 | 126.8° | 120.0° |
| O22 | C12 | N11 | 121.2° | 120.0° |
| O01 | C02 | C03 | 123.4° | 120.0° |
| C02 | C03 | N11 | 105.8° | 109.5° |
| C02 | C03 | C04 | 102.6° | 109.5° |
| C02 | C03 | H1 | 112.6° | 109.5° |
| C13 | C14 | C15 | 105.7° | 106.0° |
| C14 | C13 | C12 | 131.6° | 125.1° |
| C14 | C13 | O21 | 109.0° | 109.8° |
| C13 | C14 | H15 | 127.2° | 127.0° |
| C14 | C15 | C16 | 136.1° | 134.2° |
| C14 | C15 | C20 | 105.6° | 105.7° |
| C15 | C14 | H15 | 127.2° | 126.9° |
| C13 | C12 | N11 | 111.7° | 120.0° |
| C12 | C13 | O21 | 119.2° | 125.1° |
| C12 | N11 | C03 | 120.2° | 120.0° |
| C12 | N11 | H38 | 119.9° | 120.0° |
| C13 | O21 | C20 | 110.5° | 110.9° |
| N11 | C03 | C04 | 107.6° | 109.5° |
| N11 | C03 | H1 | 114.4° | 109.5° |
| C03 | N11 | H38 | 119.9° | 120.0° |
| C03 | C04 | C05 | 112.4° | 109.5° |
| C04 | C03 | H1 | 112.9° | 109.5° |
| C03 | C04 | H2 | 108.7° | 109.5° |
| C03 | C04 | H3 | 108.8° | 109.4° |
| C16 | C15 | C20 | 118.3° | 120.1° |
| C15 | C16 | C17 | 119.8° | 119.7° |
| C15 | C16 | H16 | 120.1° | 120.1° |
| C15 | C20 | O21 | 109.1° | 107.6° |
| C15 | C20 | C19 | 121.9° | 119.2° |
| C16 | C17 | C18 | 121.2° | 120.4° |
| C17 | C16 | H16 | 120.1° | 120.2° |
| C16 | C17 | H17 | 119.4° | 119.7° |
| C04 | C05 | C06 | 108.9° | 109.5° |
| C04 | C05 | C10 | 105.5° | 109.5° |
| C05 | C04 | H2 | 108.7° | 109.5° |
| C05 | C04 | H3 | 108.7° | 109.5° |
| C04 | C05 | H4 | 110.3° | 109.5° |
| O21 | C20 | C19 | 128.9° | 133.3° |
| C20 | C19 | C18 | 119.2° | 119.9° |
| C20 | C19 | H19 | 120.4° | 120.1° |
| C17 | C18 | C19 | 119.4° | 120.8° |
| C18 | C17 | H17 | 119.4° | 119.8° |
| C17 | C18 | H18 | 120.3° | 119.6° |
| C05 | C06 | C07 | 111.7° | 109.5° |
| C06 | C05 | C10 | 112.0° | 109.5° |
| C06 | C05 | H4 | 110.1° | 109.5° |
| C05 | C06 | H5 | 108.9° | 109.5° |
| C05 | C06 | H6 | 108.9° | 109.5° |
| C06 | C07 | C08 | 111.0° | 109.5° |
| C07 | C06 | H5 | 108.9° | 109.4° |
| C07 | C06 | H6 | 108.9° | 109.5° |
| C06 | C07 | H7 | 109.1° | 109.4° |
| C06 | C07 | H8 | 109.1° | 109.5° |
| C05 | C10 | C09 | 112.4° | 109.5° |
| C10 | C05 | H4 | 109.9° | 109.4° |
| C05 | C10 | H13 | 108.7° | 109.4° |
| C05 | C10 | H14 | 108.7° | 109.5° |
| C19 | C18 | H18 | 120.3° | 119.6° |
| C18 | C19 | H19 | 120.4° | 120.0° |
| C07 | C08 | C09 | 110.5° | 109.5° |
| C08 | C07 | H7 | 109.1° | 109.5° |
| C08 | C07 | H8 | 109.1° | 109.5° |
| C07 | C08 | H9 | 109.2° | 109.5° |
| C07 | C08 | H10 | 109.2° | 109.4° |
| C10 | C09 | C08 | 109.5° | 109.4° |
| C10 | C09 | H11 | 109.5° | 109.5° |
| C10 | C09 | H12 | 109.5° | 109.5° |
| C09 | C10 | H13 | 108.7° | 109.5° |
| C09 | C10 | H14 | 108.7° | 109.5° |
| C09 | C08 | H9 | 109.2° | 109.5° |
| C09 | C08 | H10 | 109.2° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.4° |
| C08 | C09 | H12 | 109.5° | 109.4° |
| H2 | C04 | H3 | 109.4° | 109.4° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H24 | C27 | H25 | 109.4° | 109.8° |
| H26 | C28 | H27 | 109.5° | 109.6° |
| H28 | C29 | H29 | 109.5° | 109.3° |
| H31 | C37 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N30 | C31 | H40 | 180.0° | 180.0° |
| C29 | N30 | C31 | O32 | 178.3° | 177.8° |
| N30 | C29 | C28 | H28 | 120.6° | 120.3° |
| N30 | C29 | C28 | H29 | 120.6° | 120.1° |
| C29 | N30 | C31 | C26 | 1.3° | 2.2° |
| N30 | C29 | C28 | C27 | 45.4° | 50.8° |
| N30 | C29 | C28 | H26 | 74.9° | 170.5° |
| N30 | C29 | C28 | H27 | 165.8° | 69.1° |
| N30 | C29 | H28 | H29 | 118.2° | 119.5° |
| N30 | C31 | O32 | C26 | 179.6° | 180.0° |
| C31 | N30 | C29 | C28 | 13.5° | 19.1° |
| N30 | C31 | C26 | C25 | 136.6° | 137.7° |
| N30 | C31 | C26 | C27 | 15.8° | 17.6° |
| N30 | C31 | C26 | H23 | 106.7° | 102.5° |
| C31 | N30 | C29 | H28 | 134.1° | 101.2° |
| C31 | N30 | C29 | H29 | 107.1° | 139.2° |
| O32 | C31 | C26 | C25 | 43.7° | 42.3° |
| O32 | C31 | C26 | C27 | 164.6° | 162.4° |
| O32 | C31 | C26 | H23 | 72.9° | 77.4° |
| O32 | C31 | N30 | H40 | 1.7° | 2.2° |
| C29 | C28 | C27 | H26 | 120.3° | 119.7° |
| C29 | C28 | C27 | H27 | 120.3° | 119.9° |
| C29 | C28 | C27 | C26 | 67.5° | 67.6° |
| C29 | C28 | C27 | H24 | 171.8° | 52.2° |
| C29 | C28 | C27 | H25 | 53.3° | 172.7° |
| C29 | C28 | H26 | H27 | 119.0° | 120.5° |
| C28 | C29 | H28 | H29 | 118.2° | 119.5° |
| C28 | C29 | N30 | H40 | 166.4° | 161.0° |
| C31 | C26 | C27 | C28 | 49.9° | 48.9° |
| C31 | C26 | C25 | C27 | 122.4° | 120.4° |
| C31 | C26 | C25 | H23 | 116.4° | 119.7° |
| C31 | C26 | C25 | C24 | 174.9° | 67.3° |
| C31 | C26 | C27 | H23 | 121.1° | 120.1° |
| C31 | C26 | C25 | H21 | 65.1° | 52.7° |
| C31 | C26 | C25 | H22 | 55.0° | 172.7° |
| C31 | C26 | C27 | H24 | 170.7° | 70.8° |
| C31 | C26 | C27 | H25 | 70.9° | 168.6° |
| C26 | C31 | N30 | H40 | 178.7° | 177.8° |
| O44 | C35 | C33 | N36 | 177.4° | 180.0° |
| O44 | C35 | N36 | C37 | 0.2° | 0.0° |
| O44 | C35 | C33 | C24 | 63.2° | 115.0° |
| O44 | C35 | C33 | O34 | 175.6° | 5.0° |
| O44 | C35 | C33 | H30 | 55.8° | 125.0° |
| O44 | C35 | N36 | H41 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 168.8° | 169.0° |
| C28 | C27 | C26 | H24 | 120.8° | 119.7° |
| C28 | C27 | C26 | H25 | 120.8° | 119.7° |
| C28 | C27 | C26 | H23 | 71.2° | 71.1° |
| C28 | C27 | H24 | H25 | 117.6° | 120.5° |
| C27 | C28 | H26 | H27 | 118.9° | 120.4° |
| C27 | C28 | C29 | H28 | 166.0° | 69.6° |
| C27 | C28 | C29 | H29 | 75.1° | 170.9° |
| C26 | C25 | C24 | H21 | 119.9° | 120.0° |
| C26 | C25 | C24 | H22 | 119.9° | 120.0° |
| C25 | C26 | C27 | H23 | 120.0° | 119.8° |
| C26 | C25 | C24 | C33 | 179.7° | 63.5° |
| C26 | C25 | C24 | N23 | 68.2° | 176.4° |
| C26 | C25 | C24 | H20 | 53.4° | 56.5° |
| C26 | C25 | H21 | H22 | 120.2° | 120.0° |
| C25 | C26 | C27 | H24 | 70.5° | 49.3° |
| C25 | C26 | C27 | H25 | 48.0° | 71.3° |
| C24 | C25 | C26 | C27 | 62.7° | 172.3° |
| C25 | C24 | C33 | C35 | 81.7° | 180.0° |
| C25 | C24 | C33 | N23 | 117.2° | 120.0° |
| C25 | C24 | C33 | H20 | 126.8° | 120.0° |
| C25 | C24 | N23 | H20 | 121.0° | 120.0° |
| C25 | C24 | C33 | O34 | 157.3° | 60.1° |
| C25 | C24 | N23 | C02 | 118.8° | 88.4° |
| C24 | C25 | H21 | H22 | 120.2° | 119.9° |
| C24 | C25 | C26 | H23 | 58.6° | 52.4° |
| C25 | C24 | C33 | H30 | 37.3° | 60.0° |
| C25 | C24 | N23 | H39 | 61.1° | 91.7° |
| C27 | C26 | C25 | H21 | 57.3° | 67.7° |
| C27 | C26 | C25 | H22 | 177.4° | 52.3° |
| C26 | C27 | H24 | H25 | 117.7° | 120.6° |
| C26 | C27 | C28 | H26 | 52.9° | 172.7° |
| C26 | C27 | C28 | H27 | 172.2° | 52.3° |
| C42 | C43 | C38 | H37 | 180.0° | 179.5° |
| C43 | C42 | C41 | H36 | 180.0° | 179.8° |
| C42 | C43 | C38 | C37 | 179.5° | 179.7° |
| C42 | C43 | C38 | C39 | 0.3° | 0.5° |
| C43 | C42 | C41 | C40 | 0.7° | 0.2° |
| C43 | C42 | C41 | H35 | 179.4° | 179.8° |
| C38 | C43 | C42 | C41 | 0.7° | 0.5° |
| C43 | C38 | C37 | C39 | 179.7° | 179.8° |
| C43 | C38 | C37 | N36 | 171.1° | 90.2° |
| C43 | C38 | C39 | C40 | 0.1° | 0.2° |
| C43 | C38 | C37 | H31 | 69.6° | 29.8° |
| C43 | C38 | C37 | H32 | 51.7° | 149.8° |
| C43 | C38 | C39 | H33 | 179.8° | 179.8° |
| C38 | C43 | C42 | H36 | 179.3° | 179.7° |
| C42 | C41 | C40 | H35 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.3° | 0.0° |
| C42 | C41 | C40 | H34 | 179.7° | 180.0° |
| C41 | C42 | C43 | H37 | 179.4° | 180.0° |
| C33 | C35 | N36 | C37 | 177.2° | 180.0° |
| C35 | C33 | C24 | O34 | 121.0° | 119.9° |
| C35 | C33 | C24 | H30 | 119.0° | 120.0° |
| C35 | C33 | C24 | N23 | 161.1° | 60.0° |
| C35 | C33 | O34 | H30 | 119.1° | 120.0° |
| C35 | C33 | C24 | H20 | 45.1° | 60.0° |
| C33 | C35 | N36 | H41 | 2.8° | 0.0° |
| C35 | C33 | O34 | H42 | 180.0° | 60.1° |
| C35 | N36 | C37 | C38 | 94.3° | 180.0° |
| C35 | N36 | C37 | H41 | 180.0° | 180.0° |
| N36 | C35 | C33 | C24 | 114.2° | 65.0° |
| N36 | C35 | C33 | O34 | 7.0° | 175.0° |
| N36 | C35 | C33 | H30 | 126.8° | 55.0° |
| C35 | N36 | C37 | H31 | 146.4° | 60.0° |
| C35 | N36 | C37 | H32 | 25.1° | 60.0° |
| C38 | C37 | N36 | H31 | 119.3° | 120.0° |
| C38 | C37 | N36 | H32 | 119.4° | 120.0° |
| C37 | C38 | C39 | C40 | 179.9° | 180.0° |
| C38 | C37 | H31 | H32 | 121.9° | 120.0° |
| C37 | C38 | C39 | H33 | 0.1° | 0.0° |
| C37 | C38 | C43 | H37 | 0.5° | 0.2° |
| C38 | C37 | N36 | H41 | 85.7° | 0.0° |
| N36 | C37 | C38 | C39 | 8.7° | 90.0° |
| N36 | C37 | H31 | H32 | 121.9° | 120.0° |
| C38 | C39 | C40 | C41 | 0.1° | 0.0° |
| C38 | C39 | C40 | H33 | 180.0° | 180.0° |
| C39 | C38 | C37 | H31 | 110.7° | 150.1° |
| C39 | C38 | C37 | H32 | 128.0° | 30.0° |
| C38 | C39 | C40 | H34 | 179.9° | 180.0° |
| C39 | C38 | C43 | H37 | 179.8° | 180.0° |
| C41 | C40 | C39 | H34 | 180.0° | 180.0° |
| C41 | C40 | C39 | H33 | 179.9° | 180.0° |
| C40 | C41 | C42 | H36 | 179.3° | 179.9° |
| C33 | C24 | N23 | H20 | 115.4° | 120.1° |
| C24 | C33 | O34 | H30 | 119.3° | 120.0° |
| C33 | C24 | N23 | C02 | 117.6° | 151.6° |
| C33 | C24 | C25 | H21 | 60.4° | 176.4° |
| C33 | C24 | C25 | H22 | 59.7° | 56.5° |
| C33 | C24 | N23 | H39 | 62.4° | 28.3° |
| C24 | C33 | O34 | H42 | 58.4° | 59.9° |
| N23 | C24 | C33 | O34 | 40.1° | 59.9° |
| C24 | N23 | C02 | H39 | 180.0° | 179.9° |
| C24 | N23 | C02 | O01 | 0.4° | 4.8° |
| C24 | N23 | C02 | C03 | 178.2° | 174.9° |
| N23 | C24 | C25 | H21 | 171.9° | 56.4° |
| N23 | C24 | C25 | H22 | 51.7° | 63.5° |
| N23 | C24 | C33 | H30 | 79.9° | 180.0° |
| O34 | C33 | C24 | H20 | 75.9° | 180.0° |
| C39 | C40 | C41 | H35 | 179.8° | 180.0° |
| N23 | C02 | O01 | C03 | 178.5° | 179.7° |
| N23 | C02 | C03 | N11 | 138.5° | 180.0° |
| N23 | C02 | C03 | C04 | 108.9° | 60.0° |
| N23 | C02 | C03 | H1 | 12.8° | 60.0° |
| C02 | N23 | C24 | H20 | 2.2° | 31.6° |
| O22 | C12 | C13 | C14 | 3.6° | 0.3° |
| O22 | C12 | C13 | N11 | 175.2° | 180.0° |
| O22 | C12 | C13 | O21 | 177.2° | 180.0° |
| O22 | C12 | N11 | C03 | 0.7° | 0.0° |
| O22 | C12 | N11 | H38 | 179.3° | 180.0° |
| O01 | C02 | C03 | N11 | 42.9° | 0.3° |
| O01 | C02 | C03 | C04 | 69.7° | 119.7° |
| O01 | C02 | C03 | H1 | 168.7° | 120.3° |
| O01 | C02 | N23 | H39 | 179.6° | 175.3° |
| C02 | C03 | N11 | C12 | 65.1° | 155.0° |
| C02 | C03 | N11 | C04 | 109.1° | 120.0° |
| C02 | C03 | N11 | H1 | 124.6° | 120.0° |
| C02 | C03 | C04 | H1 | 121.5° | 120.0° |
| C02 | C03 | C04 | C05 | 168.7° | 175.0° |
| C02 | C03 | C04 | H2 | 70.9° | 65.0° |
| C02 | C03 | C04 | H3 | 48.2° | 55.0° |
| C02 | C03 | N11 | H38 | 114.9° | 25.0° |
| C03 | C02 | N23 | H39 | 1.8° | 5.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C14 | C13 | C12 | O21 | 173.6° | 179.7° |
| C14 | C13 | C12 | N11 | 171.6° | 179.8° |
| C13 | C14 | C15 | C16 | 178.8° | 179.9° |
| C13 | C14 | C15 | C20 | 1.6° | 0.0° |
| C14 | C13 | O21 | C20 | 2.2° | 0.4° |
| C15 | C14 | C13 | C12 | 176.5° | 180.0° |
| C15 | C14 | C13 | O21 | 2.3° | 0.2° |
| C14 | C15 | C16 | C20 | 179.6° | 179.9° |
| C14 | C15 | C16 | C17 | 179.6° | 180.0° |
| C14 | C15 | C20 | O21 | 0.3° | 0.2° |
| C14 | C15 | C20 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 0.5° | 0.1° |
| C13 | C12 | N11 | C03 | 176.2° | 180.0° |
| C12 | C13 | O21 | C20 | 177.2° | 179.9° |
| C12 | C13 | C14 | H15 | 3.5° | 0.0° |
| C13 | C12 | N11 | H38 | 3.9° | 0.0° |
| N11 | C12 | C13 | O21 | 2.0° | 0.0° |
| C12 | N11 | C03 | H38 | 180.0° | 180.0° |
| C12 | N11 | C03 | C04 | 174.3° | 85.0° |
| C12 | N11 | C03 | H1 | 59.5° | 35.0° |
| C13 | O21 | C20 | C15 | 1.2° | 0.3° |
| C13 | O21 | C20 | C19 | 178.5° | 179.8° |
| O21 | C13 | C14 | H15 | 177.7° | 179.8° |
| N11 | C03 | C04 | H1 | 127.2° | 120.0° |
| N11 | C03 | C04 | C05 | 80.0° | 65.0° |
| N11 | C03 | C04 | H2 | 40.5° | 55.0° |
| N11 | C03 | C04 | H3 | 159.6° | 175.0° |
| C03 | C04 | C05 | H2 | 120.4° | 120.0° |
| C03 | C04 | C05 | H3 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 59.9° | 65.0° |
| C03 | C04 | C05 | C10 | 179.7° | 175.0° |
| C03 | C04 | H2 | H3 | 118.7° | 120.0° |
| C03 | C04 | C05 | H4 | 61.1° | 55.1° |
| C04 | C03 | N11 | H38 | 5.8° | 95.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C15 | C20 | O21 | 180.0° | 179.7° |
| C16 | C15 | C20 | C19 | 0.3° | 0.1° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C14 | H15 | 1.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 179.9° |
| C20 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C20 | O21 | C19 | 179.7° | 179.8° |
| C15 | C20 | C19 | C18 | 0.3° | 0.1° |
| C20 | C15 | C14 | H15 | 178.4° | 180.0° |
| C20 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C20 | C19 | H19 | 179.7° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C04 | C05 | C06 | C10 | 116.4° | 120.0° |
| C04 | C05 | C06 | H4 | 121.1° | 120.0° |
| C04 | C05 | C06 | C07 | 167.5° | 180.0° |
| C04 | C05 | C10 | H4 | 118.9° | 120.0° |
| C04 | C05 | C10 | C09 | 170.7° | 180.0° |
| C05 | C04 | C03 | H1 | 47.2° | 55.0° |
| C05 | C04 | H2 | H3 | 118.6° | 120.0° |
| C04 | C05 | C06 | H5 | 47.1° | 60.0° |
| C04 | C05 | C06 | H6 | 72.2° | 60.0° |
| C04 | C05 | C10 | H13 | 68.8° | 60.0° |
| C04 | C05 | C10 | H14 | 50.3° | 60.0° |
| O21 | C20 | C19 | C18 | 180.0° | 179.7° |
| O21 | C20 | C19 | H19 | 0.0° | 0.3° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.7° | 179.9° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 120.3° | 120.0° |
| C05 | C06 | C07 | H6 | 120.4° | 120.0° |
| C06 | C05 | C10 | H4 | 122.7° | 120.0° |
| C05 | C06 | C07 | C08 | 54.7° | 60.0° |
| C06 | C05 | C10 | C09 | 52.4° | 60.0° |
| C06 | C05 | C04 | H2 | 179.7° | 175.0° |
| C06 | C05 | C04 | H3 | 60.6° | 55.0° |
| C05 | C06 | H5 | H6 | 119.0° | 120.1° |
| C05 | C06 | C07 | H7 | 174.9° | 180.0° |
| C05 | C06 | C07 | H8 | 65.6° | 60.0° |
| C06 | C05 | C10 | H13 | 172.8° | 180.0° |
| C06 | C05 | C10 | H14 | 68.1° | 60.1° |
| C07 | C06 | C05 | C10 | 51.1° | 60.0° |
| C06 | C07 | C08 | H7 | 120.2° | 120.0° |
| C06 | C07 | C08 | H8 | 120.3° | 120.0° |
| C06 | C07 | C08 | C09 | 59.0° | 60.0° |
| C07 | C06 | C05 | H4 | 71.5° | 60.0° |
| C07 | C06 | H5 | H6 | 118.9° | 120.0° |
| C06 | C07 | H7 | H8 | 119.3° | 120.0° |
| C06 | C07 | C08 | H9 | 61.1° | 60.0° |
| C06 | C07 | C08 | H10 | 179.2° | 180.0° |
| C05 | C10 | C09 | H13 | 120.5° | 120.0° |
| C05 | C10 | C09 | H14 | 120.4° | 120.0° |
| C05 | C10 | C09 | C08 | 55.9° | 60.0° |
| C10 | C05 | C04 | H2 | 59.3° | 55.0° |
| C10 | C05 | C04 | H3 | 59.8° | 65.0° |
| C10 | C05 | C06 | H5 | 69.2° | 60.0° |
| C10 | C05 | C06 | H6 | 171.5° | 180.0° |
| C05 | C10 | C09 | H11 | 64.1° | 180.0° |
| C05 | C10 | C09 | H12 | 175.9° | 60.0° |
| C05 | C10 | H13 | H14 | 118.6° | 119.9° |
| C19 | C18 | C17 | H17 | 179.8° | 179.9° |
| C07 | C08 | C09 | C10 | 59.0° | 60.0° |
| C07 | C08 | C09 | H9 | 120.2° | 120.0° |
| C07 | C08 | C09 | H10 | 120.2° | 120.0° |
| C08 | C07 | C06 | H5 | 65.7° | 60.0° |
| C08 | C07 | C06 | H6 | 175.1° | 180.0° |
| C08 | C07 | H7 | H8 | 119.3° | 120.0° |
| C07 | C08 | H9 | H10 | 119.5° | 120.0° |
| C07 | C08 | C09 | H11 | 61.0° | 180.0° |
| C07 | C08 | C09 | H12 | 179.0° | 60.0° |
| C10 | C09 | C08 | H11 | 120.0° | 120.0° |
| C10 | C09 | C08 | H12 | 120.0° | 120.0° |
| C09 | C10 | C05 | H4 | 70.4° | 60.0° |
| C10 | C09 | C08 | H9 | 61.2° | 60.0° |
| C10 | C09 | C08 | H10 | 179.2° | 180.0° |
| C10 | C09 | H11 | H12 | 120.0° | 120.1° |
| C09 | C10 | H13 | H14 | 118.6° | 120.0° |
| C09 | C08 | C07 | H7 | 179.3° | 180.0° |
| C09 | C08 | C07 | H8 | 61.2° | 60.0° |
| C09 | C08 | H9 | H10 | 119.5° | 120.0° |
| C08 | C09 | H11 | H12 | 120.0° | 120.0° |
| C08 | C09 | C10 | H13 | 176.4° | 180.0° |
| C08 | C09 | C10 | H14 | 64.5° | 60.0° |
| H1 | C03 | C04 | H2 | 167.7° | 175.0° |
| H1 | C03 | C04 | H3 | 73.2° | 65.0° |
| H1 | C03 | N11 | H38 | 120.5° | 145.0° |
| H2 | C04 | C05 | H4 | 59.3° | 65.0° |
| H3 | C04 | C05 | H4 | 178.4° | 175.0° |
| H4 | C05 | C06 | H5 | 168.2° | 180.0° |
| H4 | C05 | C06 | H6 | 48.9° | 60.0° |
| H4 | C05 | C10 | H13 | 50.1° | 60.0° |
| H4 | C05 | C10 | H14 | 169.2° | 180.0° |
| H5 | C06 | C07 | H7 | 54.6° | 60.0° |
| H5 | C06 | C07 | H8 | 174.1° | 180.0° |
| H6 | C06 | C07 | H7 | 64.7° | 60.0° |
| H6 | C06 | C07 | H8 | 54.8° | 60.0° |
| H7 | C07 | C08 | H9 | 59.1° | 60.0° |
| H7 | C07 | C08 | H10 | 60.6° | 60.0° |
| H8 | C07 | C08 | H9 | 178.6° | 180.0° |
| H8 | C07 | C08 | H10 | 58.9° | 60.0° |
| H9 | C08 | C09 | H11 | 178.8° | 60.0° |
| H9 | C08 | C09 | H12 | 58.8° | 180.0° |
| H10 | C08 | C09 | H11 | 59.1° | 60.0° |
| H10 | C08 | C09 | H12 | 60.8° | 60.0° |
| H11 | C09 | C10 | H13 | 56.3° | 60.0° |
| H11 | C09 | C10 | H14 | 175.4° | 59.9° |
| H12 | C09 | C10 | H13 | 63.7° | 60.0° |
| H12 | C09 | C10 | H14 | 55.4° | NaN° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H20 | C24 | C25 | H21 | 66.6° | 63.6° |
| H20 | C24 | C25 | H22 | 173.3° | 176.5° |
| H20 | C24 | C33 | H30 | 164.1° | 60.0° |
| H20 | C24 | N23 | H39 | 177.8° | 148.3° |
| H21 | C25 | C26 | H23 | 178.5° | 172.4° |
| H22 | C25 | C26 | H23 | 61.4° | 67.6° |
| H23 | C26 | C27 | H24 | 49.5° | 169.2° |
| H23 | C26 | C27 | H25 | 168.0° | 48.6° |
| H24 | C27 | C28 | H26 | 67.9° | 67.6° |
| H24 | C27 | C28 | H27 | 51.4° | 172.1° |
| H25 | C27 | C28 | H26 | 173.6° | 53.0° |
| H25 | C27 | C28 | H27 | 67.0° | 67.4° |
| H26 | C28 | C29 | H28 | 45.7° | 50.2° |
| H26 | C28 | C29 | H29 | 164.5° | 69.4° |
| H27 | C28 | C29 | H28 | 73.7° | 170.6° |
| H27 | C28 | C29 | H29 | 45.2° | 51.0° |
| H28 | C29 | N30 | H40 | 45.9° | 78.8° |
| H29 | C29 | N30 | H40 | 73.0° | 40.8° |
| H30 | C33 | O34 | H42 | 60.9° | 179.9° |
| H31 | C37 | N36 | H41 | 33.6° | 120.0° |
| H32 | C37 | N36 | H41 | 154.9° | 120.0° |
| H33 | C39 | C40 | H34 | 0.1° | 0.0° |
| H34 | C40 | C41 | H35 | 0.3° | 0.0° |
| H35 | C41 | C42 | H36 | 0.6° | 0.1° |
| H36 | C42 | C43 | H37 | 0.6° | 0.2° |
