0BO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C29 | sing | 1.46Å | 1.51Å | |
| N30 | C31 | sing | 1.33Å | 1.52Å | |
| O32 | C31 | doub | 1.21Å | 1.21Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C31 | C26 | sing | 1.50Å | 1.58Å | |
| O40 | 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 | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.45Å | |
| C39 | C37 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C35 | N36 | sing | 1.35Å | 1.47Å | |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C37 | N36 | sing | 1.47Å | 1.47Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C24 | C33 | sing | 1.53Å | 1.52Å | |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C33 | O34 | sing | 1.43Å | 1.45Å | |
| N23 | C02 | sing | 1.35Å | 1.45Å | |
| O22 | C12 | doub | 1.22Å | 1.20Å | |
| O01 | C02 | doub | 1.21Å | 1.21Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C14 | C13 | doub | 1.36Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.54Å | |
| C12 | N11 | sing | 1.35Å | 1.47Å | |
| C13 | O21 | sing | 1.35Å | 1.35Å | Aromatic |
| C03 | N11 | sing | 1.47Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| O21 | C20 | sing | 1.35Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C10 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| N23 | H37 | sing | 0.97Å | 1.00Å | |
| N30 | H38 | sing | 0.97Å | 1.00Å | |
| N36 | H39 | sing | 0.97Å | 1.00Å | |
| O34 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N30 | C31 | 121.9° | 124.1° |
| N30 | C29 | C28 | 114.0° | 110.5° |
| N30 | C29 | H28 | 108.3° | 109.3° |
| N30 | C29 | H29 | 108.4° | 109.1° |
| C29 | N30 | H38 | 119.1° | 118.0° |
| N30 | C31 | O32 | 124.3° | 118.2° |
| N30 | C31 | C26 | 113.8° | 123.6° |
| C31 | N30 | H38 | 119.0° | 118.0° |
| O32 | C31 | C26 | 121.8° | 118.2° |
| C29 | C28 | C27 | 109.5° | 108.7° |
| C29 | C28 | H26 | 109.5° | 109.6° |
| C29 | C28 | H27 | 109.5° | 109.8° |
| C28 | C29 | H28 | 108.3° | 109.3° |
| C28 | C29 | H29 | 108.3° | 109.2° |
| C31 | C26 | C25 | 106.1° | 109.4° |
| C31 | C26 | C27 | 114.7° | 109.8° |
| C31 | C26 | H23 | 107.4° | 109.3° |
| O40 | C35 | N36 | 123.7° | 120.0° |
| O40 | C35 | C33 | 120.9° | 120.0° |
| C28 | C27 | C26 | 112.7° | 108.5° |
| C28 | C27 | H24 | 108.6° | 109.7° |
| C28 | C27 | H25 | 108.7° | 109.8° |
| C27 | C28 | H26 | 109.5° | 109.6° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C26 | C25 | C24 | 105.1° | 109.4° |
| C25 | C26 | C27 | 111.9° | 109.5° |
| C26 | C25 | H8 | 110.6° | 109.5° |
| C26 | C25 | H9 | 110.6° | 109.5° |
| C25 | C26 | H23 | 107.5° | 109.4° |
| C25 | C24 | C33 | 114.4° | 109.5° |
| C25 | C24 | N23 | 113.1° | 109.4° |
| C25 | C24 | H4 | 108.9° | 109.5° |
| C24 | C25 | H8 | 110.5° | 109.5° |
| C24 | C25 | H9 | 110.5° | 109.4° |
| C27 | C26 | H23 | 109.0° | 109.4° |
| C26 | C27 | H24 | 108.7° | 109.7° |
| C26 | C27 | H25 | 108.7° | 109.7° |
| C37 | C39 | C38 | 60.0° | 60.0° |
| C39 | C37 | N36 | 113.6° | 117.5° |
| C39 | C37 | C38 | 60.1° | 60.0° |
| C39 | C37 | H31 | 118.3° | 117.5° |
| C37 | C39 | H34 | 120.0° | 117.5° |
| C37 | C39 | H35 | 120.0° | 117.5° |
| C39 | C38 | C37 | 59.9° | 60.0° |
| C39 | C38 | H32 | 120.0° | 117.5° |
| C39 | C38 | H33 | 120.0° | 117.5° |
| C38 | C39 | H34 | 120.0° | 117.5° |
| C38 | C39 | H35 | 120.0° | 117.5° |
| N36 | C35 | C33 | 115.4° | 120.0° |
| C35 | N36 | C37 | 119.0° | 120.0° |
| C35 | N36 | H39 | 120.5° | 120.0° |
| C35 | C33 | C24 | 115.0° | 109.5° |
| C35 | C33 | O34 | 108.0° | 109.5° |
| C35 | C33 | H30 | 107.3° | 109.5° |
| N36 | C37 | C38 | 112.8° | 117.5° |
| N36 | C37 | H31 | 119.7° | 115.5° |
| C37 | N36 | H39 | 120.5° | 120.0° |
| C38 | C37 | H31 | 118.3° | 117.5° |
| C37 | C38 | H32 | 120.0° | 117.5° |
| C37 | C38 | H33 | 120.0° | 117.4° |
| C33 | C24 | N23 | 100.6° | 109.4° |
| C24 | C33 | O34 | 111.1° | 109.5° |
| C33 | C24 | H4 | 109.4° | 109.5° |
| C24 | C33 | H30 | 107.2° | 109.4° |
| C24 | N23 | C02 | 118.4° | 120.0° |
| N23 | C24 | H4 | 110.2° | 109.4° |
| C24 | N23 | H37 | 120.8° | 120.0° |
| O34 | C33 | H30 | 108.0° | 109.5° |
| C33 | O34 | H40 | 109.5° | 114.0° |
| N23 | C02 | O01 | 119.2° | 120.0° |
| N23 | C02 | C03 | 116.8° | 120.0° |
| C02 | N23 | H37 | 120.8° | 120.0° |
| O22 | C12 | C13 | 125.1° | 120.0° |
| O22 | C12 | N11 | 121.6° | 120.0° |
| O01 | C02 | C03 | 124.1° | 120.0° |
| C02 | C03 | N11 | 106.0° | 109.5° |
| C02 | C03 | C04 | 102.9° | 109.5° |
| C02 | C03 | H10 | 112.2° | 109.5° |
| C13 | C14 | C15 | 105.3° | 106.1° |
| C14 | C13 | C12 | 129.3° | 125.1° |
| C14 | C13 | O21 | 109.9° | 109.8° |
| C13 | C14 | H5 | 127.4° | 127.0° |
| C14 | C15 | C16 | 135.5° | 134.2° |
| C14 | C15 | C20 | 106.3° | 105.7° |
| C15 | C14 | H5 | 127.4° | 126.9° |
| C13 | C12 | N11 | 112.9° | 120.0° |
| C12 | C13 | O21 | 120.6° | 125.1° |
| C12 | N11 | C03 | 119.1° | 120.0° |
| C12 | N11 | H36 | 120.4° | 120.0° |
| C13 | O21 | C20 | 109.8° | 110.8° |
| N11 | C03 | C04 | 109.0° | 109.5° |
| N11 | C03 | H10 | 113.9° | 109.5° |
| C03 | N11 | H36 | 120.5° | 120.0° |
| C03 | C04 | C05 | 110.4° | 109.5° |
| C04 | C03 | H10 | 112.1° | 109.5° |
| C03 | C04 | H11 | 109.2° | 109.4° |
| C03 | C04 | H12 | 109.2° | 109.5° |
| C15 | C16 | C17 | 120.2° | 119.7° |
| C16 | C15 | C20 | 118.2° | 120.1° |
| C15 | C16 | H22 | 119.9° | 120.1° |
| C16 | C17 | C18 | 121.4° | 120.4° |
| C16 | C17 | H3 | 119.3° | 119.8° |
| C17 | C16 | H22 | 119.9° | 120.1° |
| C15 | C20 | O21 | 108.7° | 107.6° |
| C15 | C20 | C19 | 121.6° | 119.1° |
| O21 | C20 | C19 | 129.7° | 133.3° |
| C17 | C18 | C19 | 119.2° | 120.8° |
| C18 | C17 | H3 | 119.3° | 119.9° |
| C17 | C18 | H6 | 120.4° | 119.6° |
| C20 | C19 | C18 | 119.5° | 119.9° |
| C20 | C19 | H7 | 120.2° | 120.0° |
| C04 | C05 | C06 | 106.3° | 109.4° |
| C04 | C05 | C10 | 103.3° | 109.5° |
| C05 | C04 | H11 | 109.2° | 109.5° |
| C05 | C04 | H12 | 109.3° | 109.5° |
| C04 | C05 | H13 | 110.0° | 109.5° |
| C19 | C18 | H6 | 120.4° | 119.6° |
| C18 | C19 | H7 | 120.3° | 120.1° |
| C05 | C06 | C07 | 113.2° | 109.5° |
| C06 | C05 | C10 | 116.4° | 109.5° |
| C06 | C05 | H13 | 110.2° | 109.4° |
| C05 | C06 | H14 | 108.5° | 109.4° |
| C05 | C06 | H15 | 108.5° | 109.5° |
| C06 | C07 | C08 | 114.4° | 109.4° |
| C07 | C06 | H14 | 108.5° | 109.5° |
| C07 | C06 | H15 | 108.5° | 109.5° |
| C06 | C07 | H16 | 108.3° | 109.5° |
| C06 | C07 | H17 | 108.2° | 109.5° |
| C05 | C10 | C09 | 111.3° | 109.5° |
| C05 | C10 | H1 | 109.0° | 109.5° |
| C05 | C10 | H2 | 109.0° | 109.5° |
| C10 | C05 | H13 | 110.2° | 109.5° |
| C07 | C08 | C09 | 115.0° | 109.5° |
| C08 | C07 | H16 | 108.2° | 109.5° |
| C08 | C07 | H17 | 108.3° | 109.5° |
| C07 | C08 | H18 | 108.1° | 109.4° |
| C07 | C08 | H19 | 108.1° | 109.5° |
| C10 | C09 | C08 | 108.1° | 109.5° |
| C09 | C10 | H1 | 109.0° | 109.4° |
| C09 | C10 | H2 | 109.0° | 109.5° |
| C10 | C09 | H20 | 109.8° | 109.5° |
| C10 | C09 | H21 | 109.8° | 109.5° |
| C09 | C08 | H18 | 108.1° | 109.5° |
| C09 | C08 | H19 | 108.1° | 109.5° |
| C08 | C09 | H20 | 109.8° | 109.5° |
| C08 | C09 | H21 | 109.8° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.4° | 109.4° |
| H20 | C09 | H21 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.6° |
| H26 | C28 | H27 | 109.4° | 109.6° |
| H28 | C29 | H29 | 109.4° | 109.3° |
| H32 | C38 | H33 | 109.5° | 115.6° |
| H34 | C39 | H35 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N30 | C31 | H38 | 180.0° | 179.9° |
| C29 | N30 | C31 | O32 | 178.0° | 177.7° |
| N30 | C29 | C28 | H28 | 120.7° | 120.4° |
| N30 | C29 | C28 | H29 | 120.7° | 120.1° |
| C29 | N30 | C31 | C26 | 2.0° | 2.4° |
| N30 | C29 | C28 | C27 | 47.2° | 50.8° |
| N30 | C29 | C28 | H26 | 72.9° | 170.5° |
| N30 | C29 | C28 | H27 | 167.2° | 69.0° |
| N30 | C29 | H28 | H29 | 118.0° | 119.4° |
| N30 | C31 | O32 | C26 | 175.8° | 179.9° |
| C31 | N30 | C29 | C28 | 16.3° | 19.2° |
| N30 | C31 | C26 | C25 | 143.4° | 137.8° |
| N30 | C31 | C26 | C27 | 19.4° | 17.7° |
| N30 | C31 | C26 | H23 | 101.9° | 102.4° |
| C31 | N30 | C29 | H28 | 136.9° | 101.2° |
| C31 | N30 | C29 | H29 | 104.4° | 139.3° |
| O32 | C31 | C26 | C25 | 40.4° | 42.3° |
| O32 | C31 | C26 | C27 | 164.4° | 162.4° |
| O32 | C31 | C26 | H23 | 74.3° | 77.5° |
| O32 | C31 | N30 | H38 | 2.0° | 2.2° |
| C29 | C28 | C27 | H26 | 120.0° | 119.8° |
| C29 | C28 | C27 | H27 | 120.0° | 119.9° |
| C29 | C28 | C27 | C26 | 67.8° | 67.5° |
| C29 | C28 | C27 | H24 | 171.7° | 52.2° |
| C29 | C28 | C27 | H25 | 52.7° | 172.7° |
| C29 | C28 | H26 | H27 | 120.0° | 120.6° |
| C28 | C29 | H28 | H29 | 117.9° | 119.5° |
| C28 | C29 | N30 | H38 | 163.7° | 160.9° |
| C31 | C26 | C27 | C28 | 53.4° | 48.9° |
| C31 | C26 | C25 | C27 | 125.7° | 120.3° |
| C31 | C26 | C25 | H23 | 114.7° | 119.7° |
| C31 | C26 | C25 | C24 | 170.5° | 174.0° |
| C31 | C26 | C27 | H23 | 120.4° | 120.0° |
| C31 | C26 | C25 | H8 | 70.2° | 53.9° |
| C31 | C26 | C25 | H9 | 51.2° | 66.2° |
| C31 | C26 | C27 | H24 | 173.8° | 70.9° |
| C31 | C26 | C27 | H25 | 67.2° | 168.7° |
| C26 | C31 | N30 | H38 | 178.0° | 177.7° |
| O40 | C35 | N36 | C33 | 177.1° | 180.0° |
| O40 | C35 | N36 | C37 | 2.3° | 0.0° |
| O40 | C35 | C33 | C24 | 59.4° | 115.0° |
| O40 | C35 | C33 | O34 | 175.9° | 5.0° |
| O40 | C35 | C33 | H30 | 59.7° | 125.0° |
| O40 | C35 | N36 | H39 | 177.7° | 180.0° |
| C28 | C27 | C26 | C25 | 174.2° | 169.0° |
| C28 | C27 | C26 | H24 | 120.5° | 119.7° |
| C28 | C27 | C26 | H25 | 120.5° | 119.9° |
| C28 | C27 | C26 | H23 | 67.1° | 71.2° |
| C28 | C27 | H24 | H25 | 118.5° | 120.5° |
| C27 | C28 | H26 | H27 | 120.0° | 120.2° |
| C27 | C28 | C29 | H28 | 167.8° | 69.6° |
| C27 | C28 | C29 | H29 | 73.5° | 170.9° |
| C26 | C25 | C24 | H8 | 119.3° | 120.1° |
| C26 | C25 | C24 | H9 | 119.3° | 119.9° |
| C25 | C26 | C27 | H23 | 118.7° | 119.9° |
| C26 | C25 | C24 | C33 | 176.8° | 175.6° |
| C26 | C25 | C24 | N23 | 68.8° | 64.4° |
| C26 | C25 | C24 | H4 | 54.1° | 55.5° |
| C26 | C25 | H8 | H9 | 122.0° | 120.0° |
| C25 | C26 | C27 | H24 | 65.3° | 49.2° |
| C25 | C26 | C27 | H25 | 53.7° | 71.2° |
| C24 | C25 | C26 | C27 | 63.8° | 65.7° |
| C25 | C24 | C33 | C35 | 75.1° | 180.0° |
| C25 | C24 | C33 | N23 | 121.5° | 120.0° |
| C25 | C24 | C33 | H4 | 122.5° | 120.1° |
| C25 | C24 | N23 | H4 | 122.2° | 120.0° |
| C25 | C24 | C33 | O34 | 161.9° | 59.9° |
| C25 | C24 | N23 | C02 | 120.9° | 130.8° |
| C24 | C25 | H8 | H9 | 122.0° | 120.0° |
| C24 | C25 | C26 | H23 | 55.8° | 54.2° |
| C25 | C24 | C33 | H30 | 44.1° | 60.1° |
| C25 | C24 | N23 | H37 | 59.1° | 49.1° |
| C27 | C26 | C25 | H8 | 55.5° | 174.3° |
| C27 | C26 | C25 | H9 | 176.9° | 54.2° |
| C26 | C27 | H24 | H25 | 118.5° | 120.5° |
| C26 | C27 | C28 | H26 | 52.2° | 172.7° |
| C26 | C27 | C28 | H27 | 172.1° | 52.4° |
| C37 | C39 | C38 | H34 | 109.5° | 107.5° |
| C37 | C39 | C38 | H35 | 109.5° | 107.5° |
| C39 | C37 | N36 | C35 | 101.6° | 136.4° |
| C39 | C37 | N36 | C38 | 66.0° | 68.6° |
| C39 | C37 | N36 | H31 | 147.7° | 145.8° |
| C39 | C37 | C38 | H31 | 108.2° | 107.6° |
| C37 | C39 | C38 | H32 | 109.5° | 107.4° |
| C37 | C39 | C38 | H33 | 109.4° | 107.4° |
| C37 | C39 | H34 | H35 | 144.7° | 145.7° |
| C39 | C37 | N36 | H39 | 78.4° | 43.6° |
| C39 | C38 | H32 | H33 | 144.8° | 145.8° |
| C38 | C39 | H34 | H35 | 144.7° | 145.7° |
| C35 | N36 | C37 | H39 | 180.0° | 180.0° |
| C35 | N36 | C37 | C38 | 167.5° | 155.0° |
| N36 | C35 | C33 | C24 | 117.7° | 65.0° |
| N36 | C35 | C33 | O34 | 6.9° | 175.0° |
| N36 | C35 | C33 | H30 | 123.1° | 55.0° |
| C35 | N36 | C37 | H31 | 46.2° | 9.4° |
| C33 | C35 | N36 | C37 | 179.4° | 180.0° |
| C35 | C33 | C24 | O34 | 123.0° | 120.1° |
| C35 | C33 | C24 | H30 | 119.2° | 120.0° |
| C35 | C33 | C24 | N23 | 163.4° | 60.0° |
| C35 | C33 | O34 | H30 | 115.7° | 120.0° |
| C35 | C33 | C24 | H4 | 47.4° | 59.9° |
| C33 | C35 | N36 | H39 | 0.6° | 0.0° |
| C35 | C33 | O34 | H40 | 180.0° | 60.1° |
| N36 | C37 | C38 | H31 | 146.8° | 145.0° |
| N36 | C37 | C38 | H32 | 4.4° | 145.0° |
| N36 | C37 | C38 | H33 | 145.6° | 0.0° |
| N36 | C37 | C39 | H34 | 5.8° | 0.0° |
| N36 | C37 | C39 | H35 | 146.8° | 145.0° |
| C37 | C38 | H32 | H33 | 144.8° | 145.6° |
| C38 | C37 | N36 | H39 | 12.4° | 25.0° |
| C33 | C24 | N23 | H4 | 115.4° | 120.0° |
| C24 | C33 | O34 | H30 | 117.3° | 119.9° |
| C33 | C24 | N23 | C02 | 116.7° | 109.2° |
| C33 | C24 | C25 | H8 | 57.5° | 64.3° |
| C33 | C24 | C25 | H9 | 63.8° | 55.7° |
| C33 | C24 | N23 | H37 | 63.3° | 70.9° |
| C24 | C33 | O34 | H40 | 53.0° | 60.0° |
| N23 | C24 | C33 | O34 | 40.4° | 60.0° |
| C24 | N23 | C02 | H37 | 180.0° | 180.0° |
| C24 | N23 | C02 | O01 | 1.9° | 0.0° |
| C24 | N23 | C02 | C03 | 177.8° | 180.0° |
| N23 | C24 | C25 | H8 | 171.9° | 55.6° |
| N23 | C24 | C25 | H9 | 50.5° | 175.6° |
| N23 | C24 | C33 | H30 | 77.4° | 180.0° |
| O34 | C33 | C24 | H4 | 75.6° | 180.0° |
| N23 | C02 | O01 | C03 | 179.7° | 180.0° |
| N23 | C02 | C03 | N11 | 140.7° | 180.0° |
| N23 | C02 | C03 | C04 | 104.9° | 60.0° |
| C02 | N23 | C24 | H4 | 1.3° | 10.8° |
| N23 | C02 | C03 | H10 | 15.8° | 60.0° |
| O22 | C12 | C13 | C14 | 7.4° | 0.0° |
| O22 | C12 | C13 | N11 | 173.2° | 180.0° |
| O22 | C12 | C13 | O21 | 166.6° | 180.0° |
| O22 | C12 | N11 | C03 | 1.9° | 0.0° |
| O22 | C12 | N11 | H36 | 178.1° | 180.0° |
| O01 | C02 | C03 | N11 | 39.6° | 0.0° |
| O01 | C02 | C03 | C04 | 74.7° | 120.0° |
| O01 | C02 | C03 | H10 | 164.6° | 120.0° |
| O01 | C02 | N23 | H37 | 178.1° | 180.0° |
| C02 | C03 | N11 | C12 | 68.6° | 155.0° |
| C02 | C03 | N11 | C04 | 110.1° | 120.0° |
| C02 | C03 | N11 | H10 | 123.9° | 120.0° |
| C02 | C03 | C04 | H10 | 120.8° | 120.0° |
| C02 | C03 | C04 | C05 | 167.6° | 175.0° |
| C02 | C03 | C04 | H11 | 47.5° | 65.0° |
| C02 | C03 | C04 | H12 | 72.2° | 55.0° |
| C02 | C03 | N11 | H36 | 111.4° | 25.0° |
| C03 | C02 | N23 | H37 | 2.2° | 0.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | O21 | 174.0° | 180.0° |
| C14 | C13 | C12 | N11 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 178.7° | 179.7° |
| C13 | C14 | C15 | C20 | 1.4° | 0.0° |
| C14 | C13 | O21 | C20 | 1.8° | 0.0° |
| C15 | C14 | C13 | C12 | 176.4° | 180.0° |
| C15 | C14 | C13 | O21 | 1.9° | 0.0° |
| C14 | C15 | C16 | C20 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 179.8° | 179.7° |
| C14 | C15 | C20 | O21 | 0.4° | 0.0° |
| C14 | C15 | C20 | C19 | 179.8° | 180.0° |
| C14 | C15 | C16 | H22 | 0.2° | 0.3° |
| C13 | C12 | N11 | C03 | 175.3° | 180.0° |
| C12 | C13 | O21 | C20 | 176.8° | 180.0° |
| C12 | C13 | C14 | H5 | 3.6° | 0.0° |
| C13 | C12 | N11 | H36 | 4.6° | 0.0° |
| N11 | C12 | C13 | O21 | 6.6° | 0.0° |
| C12 | N11 | C03 | H36 | 180.0° | 180.0° |
| C12 | N11 | C03 | C04 | 178.7° | 85.0° |
| C12 | N11 | C03 | H10 | 55.3° | 35.0° |
| C13 | O21 | C20 | C15 | 0.8° | 0.0° |
| C13 | O21 | C20 | C19 | 179.0° | 180.0° |
| O21 | C13 | C14 | H5 | 178.1° | 179.9° |
| N11 | C03 | C04 | H10 | 127.1° | 120.0° |
| N11 | C03 | C04 | C05 | 55.5° | 65.0° |
| N11 | C03 | C04 | H11 | 64.6° | 55.0° |
| N11 | C03 | C04 | H12 | 175.6° | 175.0° |
| C03 | C04 | C05 | H11 | 120.1° | 120.0° |
| C03 | C04 | C05 | H12 | 120.1° | 120.0° |
| C03 | C04 | C05 | C06 | 55.2° | 65.0° |
| C03 | C04 | C05 | C10 | 178.3° | 175.0° |
| C03 | C04 | H11 | H12 | 119.6° | 120.0° |
| C03 | C04 | C05 | H13 | 64.1° | 55.0° |
| C04 | C03 | N11 | H36 | 1.3° | 95.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C16 | C15 | C20 | O21 | 179.7° | 179.7° |
| C15 | C16 | C17 | C18 | 0.1° | 0.5° |
| C16 | C15 | C20 | C19 | 0.1° | 0.2° |
| C15 | C16 | C17 | H3 | 179.9° | 179.7° |
| C16 | C15 | C14 | H5 | 1.3° | 0.2° |
| C17 | C16 | C15 | C20 | 0.1° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.2° |
| C16 | C17 | C18 | C19 | 0.2° | 0.8° |
| C16 | C17 | C18 | H6 | 179.8° | 179.2° |
| C15 | C20 | O21 | C19 | 179.8° | 180.0° |
| C15 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C15 | C14 | H5 | 178.6° | 179.9° |
| C15 | C20 | C19 | H7 | 180.0° | 180.0° |
| C20 | C15 | C16 | H22 | 179.9° | 180.0° |
| O21 | C20 | C19 | C18 | 179.8° | 180.0° |
| O21 | C20 | C19 | H7 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.5° |
| C17 | C18 | C19 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | H7 | 179.9° | 179.4° |
| C18 | C17 | C16 | H22 | 180.0° | 179.5° |
| C20 | C19 | C18 | H7 | 180.0° | 180.0° |
| C20 | C19 | C18 | H6 | 179.9° | 179.5° |
| C04 | C05 | C06 | C10 | 114.4° | 120.0° |
| C04 | C05 | C06 | H13 | 119.2° | 120.0° |
| C04 | C05 | C06 | C07 | 83.4° | 180.0° |
| C04 | C05 | C10 | H13 | 117.5° | 120.0° |
| C04 | C05 | C10 | C09 | 138.3° | 180.0° |
| C04 | C05 | C10 | H1 | 101.4° | 60.0° |
| C04 | C05 | C10 | H2 | 18.0° | 60.0° |
| C05 | C04 | C03 | H10 | 71.6° | 55.0° |
| C05 | C04 | H11 | H12 | 119.6° | 120.0° |
| C04 | C05 | C06 | H14 | 37.2° | 60.0° |
| C04 | C05 | C06 | H15 | 156.0° | 60.0° |
| C19 | C18 | C17 | H3 | 179.8° | 180.0° |
| C05 | C06 | C07 | H14 | 120.5° | 120.0° |
| C05 | C06 | C07 | H15 | 120.5° | 120.1° |
| C06 | C05 | C10 | H13 | 126.4° | 120.0° |
| C05 | C06 | C07 | C08 | 43.6° | 59.9° |
| C06 | C05 | C10 | C09 | 22.1° | 60.0° |
| C06 | C05 | C10 | H1 | 142.4° | 180.0° |
| C06 | C05 | C10 | H2 | 98.1° | 60.0° |
| C06 | C05 | C04 | H11 | 175.3° | 175.0° |
| C06 | C05 | C04 | H12 | 64.9° | 55.0° |
| C05 | C06 | H14 | H15 | 118.3° | 120.0° |
| C05 | C06 | C07 | H16 | 77.1° | 180.0° |
| C05 | C06 | C07 | H17 | 164.3° | 60.0° |
| C07 | C06 | C05 | C10 | 31.0° | 60.0° |
| C06 | C07 | C08 | H16 | 120.7° | 120.0° |
| C06 | C07 | C08 | H17 | 120.7° | 120.0° |
| C06 | C07 | C08 | C09 | 2.6° | 60.0° |
| C07 | C06 | C05 | H13 | 157.4° | 60.0° |
| C07 | C06 | H14 | H15 | 118.3° | 120.0° |
| C06 | C07 | H16 | H17 | 117.8° | 120.0° |
| C06 | C07 | C08 | H18 | 123.5° | 60.1° |
| C06 | C07 | C08 | H19 | 118.2° | 180.0° |
| C05 | C10 | C09 | H1 | 120.3° | 120.0° |
| C05 | C10 | C09 | H2 | 120.3° | 120.0° |
| C05 | C10 | C09 | C08 | 62.6° | 60.0° |
| C05 | C10 | H1 | H2 | 119.2° | 120.0° |
| C10 | C05 | C04 | H11 | 61.6° | 55.0° |
| C10 | C05 | C04 | H12 | 58.2° | 65.0° |
| C10 | C05 | C06 | H14 | 151.6° | 60.0° |
| C10 | C05 | C06 | H15 | 89.5° | 180.0° |
| C05 | C10 | C09 | H20 | 57.1° | 60.0° |
| C05 | C10 | C09 | H21 | 177.6° | 180.0° |
| C07 | C08 | C09 | C10 | 50.2° | 60.0° |
| C07 | C08 | C09 | H18 | 120.8° | 120.0° |
| C07 | C08 | C09 | H19 | 120.8° | 120.0° |
| C08 | C07 | C06 | H14 | 164.2° | 60.0° |
| C08 | C07 | C06 | H15 | 76.9° | 180.0° |
| C08 | C07 | H16 | H17 | 117.8° | 120.0° |
| C07 | C08 | H18 | H19 | 117.5° | 119.9° |
| C07 | C08 | C09 | H20 | 69.6° | 60.0° |
| C07 | C08 | C09 | H21 | 169.9° | 180.0° |
| C10 | C09 | C08 | H20 | 119.8° | 120.0° |
| C10 | C09 | C08 | H21 | 119.8° | 120.0° |
| C09 | C10 | H1 | H2 | 119.2° | 120.0° |
| C09 | C10 | C05 | H13 | 104.3° | 60.0° |
| C10 | C09 | C08 | H18 | 70.7° | 60.0° |
| C10 | C09 | C08 | H19 | 171.0° | 180.0° |
| C10 | C09 | H20 | H21 | 120.7° | 120.0° |
| C08 | C09 | C10 | H1 | 177.1° | 180.0° |
| C08 | C09 | C10 | H2 | 57.6° | 60.0° |
| C09 | C08 | C07 | H16 | 118.1° | 180.0° |
| C09 | C08 | C07 | H17 | 123.4° | 60.0° |
| C09 | C08 | H18 | H19 | 117.5° | 120.0° |
| C08 | C09 | H20 | H21 | 120.6° | 120.0° |
| H1 | C10 | C05 | H13 | 16.0° | 60.0° |
| H1 | C10 | C09 | H20 | 63.1° | 60.0° |
| H1 | C10 | C09 | H21 | 57.3° | 60.0° |
| H2 | C10 | C05 | H13 | 135.5° | 180.0° |
| H2 | C10 | C09 | H20 | 177.4° | 180.0° |
| H2 | C10 | C09 | H21 | 62.1° | 59.9° |
| H3 | C17 | C18 | H6 | 0.2° | 0.0° |
| H3 | C17 | C16 | H22 | 0.0° | 0.3° |
| H4 | C24 | C25 | H8 | 65.2° | 175.6° |
| H4 | C24 | C25 | H9 | 173.4° | 64.4° |
| H4 | C24 | C33 | H30 | 166.6° | 60.0° |
| H4 | C24 | N23 | H37 | 178.7° | 169.1° |
| H6 | C18 | C19 | H7 | 0.1° | 0.5° |
| H8 | C25 | C26 | H23 | 175.1° | 65.8° |
| H9 | C25 | C26 | H23 | 63.5° | 174.1° |
| H10 | C03 | C04 | H11 | 168.3° | 175.0° |
| H10 | C03 | C04 | H12 | 48.6° | 65.0° |
| H10 | C03 | N11 | H36 | 124.7° | 145.0° |
| H11 | C04 | C05 | H13 | 56.0° | 65.0° |
| H12 | C04 | C05 | H13 | 175.7° | 175.0° |
| H13 | C05 | C06 | H14 | 82.0° | 180.0° |
| H13 | C05 | C06 | H15 | 36.9° | 60.0° |
| H14 | C06 | C07 | H16 | 43.4° | 60.0° |
| H14 | C06 | C07 | H17 | 75.1° | 180.0° |
| H15 | C06 | C07 | H16 | 162.4° | 60.0° |
| H15 | C06 | C07 | H17 | 43.8° | 60.0° |
| H16 | C07 | C08 | H18 | 2.7° | 59.9° |
| H16 | C07 | C08 | H19 | 121.1° | 60.0° |
| H17 | C07 | C08 | H18 | 115.8° | 180.0° |
| H17 | C07 | C08 | H19 | 2.5° | 60.0° |
| H18 | C08 | C09 | H20 | 169.5° | 180.0° |
| H18 | C08 | C09 | H21 | 49.1° | 60.0° |
| H19 | C08 | C09 | H20 | 51.2° | 60.0° |
| H19 | C08 | C09 | H21 | 69.2° | 60.0° |
| H23 | C26 | C27 | H24 | 53.4° | 169.1° |
| H23 | C26 | C27 | H25 | 172.4° | 48.7° |
| H24 | C27 | C28 | H26 | 68.3° | 67.5° |
| H24 | C27 | C28 | H27 | 51.7° | 172.2° |
| H25 | C27 | C28 | H26 | 172.7° | 52.9° |
| H25 | C27 | C28 | H27 | 67.4° | 67.4° |
| H26 | C28 | C29 | H28 | 47.8° | 50.1° |
| H26 | C28 | C29 | H29 | 166.4° | 69.4° |
| H27 | C28 | C29 | H28 | 72.1° | 170.6° |
| H27 | C28 | C29 | H29 | 46.5° | 51.1° |
| H28 | C29 | N30 | H38 | 43.1° | 78.7° |
| H29 | C29 | N30 | H38 | 75.6° | 40.8° |
| H30 | C33 | O34 | H40 | 64.3° | 179.9° |
| H31 | C37 | C38 | H32 | 142.4° | 0.0° |
| H31 | C37 | C38 | H33 | 1.2° | 144.9° |
| H31 | C37 | C39 | H34 | 142.4° | 145.0° |
| H31 | C37 | C39 | H35 | 1.4° | 0.0° |
| H31 | C37 | N36 | H39 | 133.8° | 170.6° |
| H32 | C38 | C39 | H34 | 0.0° | 145.0° |
| H32 | C38 | C39 | H35 | 141.0° | 0.1° |
| H33 | C38 | C39 | H34 | 141.1° | 0.1° |
| H33 | C38 | C39 | H35 | 0.0° | 145.1° |
