JLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C36 | N37 | sing | 1.47Å | 1.49Å | |
| C33 | N34 | sing | 1.47Å | 1.46Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| N34 | C39 | sing | 1.47Å | 1.48Å | |
| C40 | N37 | sing | 1.47Å | 1.47Å | |
| C32 | O31 | sing | 1.43Å | 1.43Å | |
| N37 | C38 | sing | 1.47Å | 1.49Å | |
| C39 | C38 | sing | 1.53Å | 1.44Å | |
| O31 | C26 | sing | 1.36Å | 1.36Å | |
| O16 | C14 | doub | 1.21Å | 1.24Å | |
| C13 | C17 | sing | 1.51Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C14 | O15 | sing | 1.34Å | 1.26Å | |
| C14 | C12 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | O11 | sing | 1.43Å | 1.44Å | |
| C29 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| O11 | C04 | sing | 1.36Å | 1.34Å | |
| C28 | CL | sing | 1.74Å | 1.66Å | |
| C28 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | C07 | sing | 1.48Å | 1.46Å | |
| C04 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C04 | C08 | sing | 1.42Å | 1.37Å | Aromatic |
| C25 | C30 | sing | 1.51Å | 1.52Å | |
| N01 | C02 | sing | 1.32Å | 1.29Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.33Å | 1.35Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C02 | N03 | doub | 1.31Å | 1.33Å | Aromatic |
| C06 | C10 | sing | 1.51Å | 1.52Å | |
| C06 | S05 | sing | 1.75Å | 1.71Å | Aromatic |
| C09 | N03 | sing | 1.34Å | 1.31Å | Aromatic |
| C09 | S05 | sing | 1.76Å | 1.49Å | Aromatic |
| C10 | C22 | sing | 1.53Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | N34 | 108.6° | 109.4° |
| C35 | C36 | N37 | 113.4° | 109.4° |
| C36 | C35 | H26 | 109.7° | 109.5° |
| C36 | C35 | H27 | 109.7° | 109.5° |
| C35 | C36 | H28 | 108.5° | 109.5° |
| C35 | C36 | H29 | 108.5° | 109.5° |
| C35 | N34 | C33 | 113.6° | 111.0° |
| C35 | N34 | C39 | 107.9° | 110.9° |
| N34 | C35 | H26 | 109.7° | 109.5° |
| N34 | C35 | H27 | 109.7° | 109.5° |
| C36 | N37 | C40 | 110.9° | 111.0° |
| C36 | N37 | C38 | 114.3° | 110.9° |
| N37 | C36 | H28 | 108.5° | 109.5° |
| N37 | C36 | H29 | 108.5° | 109.5° |
| N34 | C33 | C32 | 113.5° | 109.5° |
| C33 | N34 | C39 | 115.5° | 111.0° |
| N34 | C33 | H23 | 108.5° | 109.5° |
| N34 | C33 | H24 | 108.5° | 109.4° |
| C33 | C32 | O31 | 112.0° | 109.4° |
| C33 | C32 | H21 | 108.9° | 109.5° |
| C33 | C32 | H22 | 108.8° | 109.5° |
| C32 | C33 | H23 | 108.5° | 109.5° |
| C32 | C33 | H24 | 108.5° | 109.5° |
| N34 | C39 | C38 | 108.3° | 109.3° |
| N34 | C39 | H33 | 109.8° | 109.5° |
| N34 | C39 | H34 | 109.8° | 109.5° |
| C40 | N37 | C38 | 108.0° | 111.0° |
| N37 | C40 | H35 | 109.5° | 109.5° |
| N37 | C40 | H36 | 109.5° | 109.5° |
| N37 | C40 | H37 | 109.5° | 109.5° |
| C32 | O31 | C26 | 111.1° | 117.0° |
| O31 | C32 | H21 | 108.8° | 109.4° |
| O31 | C32 | H22 | 108.8° | 109.5° |
| N37 | C38 | C39 | 111.3° | 109.4° |
| N37 | C38 | H31 | 109.0° | 109.5° |
| N37 | C38 | H32 | 109.0° | 109.5° |
| C39 | C38 | H31 | 109.0° | 109.5° |
| C39 | C38 | H32 | 109.0° | 109.5° |
| C38 | C39 | H33 | 109.8° | 109.5° |
| C38 | C39 | H34 | 109.7° | 109.5° |
| O31 | C26 | C27 | 122.3° | 119.9° |
| O31 | C26 | C28 | 120.5° | 119.9° |
| O16 | C14 | O15 | 125.0° | 120.0° |
| O16 | C14 | C12 | 114.6° | 120.0° |
| C17 | C13 | C12 | 107.9° | 109.4° |
| C13 | C17 | C18 | 117.5° | 120.0° |
| C13 | C17 | C23 | 116.9° | 120.0° |
| C17 | C13 | H3 | 109.9° | 109.4° |
| C17 | C13 | H4 | 109.9° | 109.5° |
| C13 | C12 | C14 | 102.5° | 109.4° |
| C13 | C12 | O11 | 110.9° | 109.5° |
| C12 | C13 | H3 | 109.9° | 109.4° |
| C12 | C13 | H4 | 109.9° | 109.5° |
| C13 | C12 | H11 | 110.1° | 109.5° |
| O15 | C14 | C12 | 120.2° | 120.0° |
| C14 | O15 | H12 | 109.5° | 117.0° |
| C14 | C12 | O11 | 112.5° | 109.5° |
| C14 | C12 | H11 | 109.7° | 109.4° |
| C26 | C27 | C29 | 121.2° | 120.1° |
| C27 | C26 | C28 | 117.2° | 120.2° |
| C26 | C27 | H16 | 119.4° | 120.0° |
| C27 | C29 | C24 | 121.0° | 119.9° |
| C29 | C27 | H16 | 119.4° | 120.0° |
| C27 | C29 | H17 | 119.5° | 120.1° |
| C18 | C17 | C23 | 125.6° | 120.0° |
| C17 | C18 | C21 | 118.5° | 120.0° |
| C17 | C18 | H13 | 120.8° | 120.0° |
| C17 | C23 | C20 | 115.6° | 119.9° |
| C17 | C23 | H15 | 122.2° | 120.0° |
| C26 | C28 | CL | 118.8° | 120.0° |
| C26 | C28 | C25 | 122.3° | 120.0° |
| C18 | C21 | C19 | 116.9° | 120.0° |
| C18 | C21 | H6 | 121.5° | 120.0° |
| C21 | C18 | H13 | 120.8° | 120.0° |
| C23 | C20 | C19 | 119.8° | 120.1° |
| C23 | C20 | H5 | 120.1° | 120.0° |
| C20 | C23 | H15 | 122.2° | 120.0° |
| C12 | O11 | C04 | 114.8° | 117.0° |
| O11 | C12 | H11 | 110.8° | 109.5° |
| C29 | C24 | C25 | 119.3° | 119.8° |
| C29 | C24 | C07 | 117.6° | 120.0° |
| C24 | C29 | H17 | 119.5° | 120.0° |
| C21 | C19 | C20 | 123.6° | 120.0° |
| C19 | C21 | H6 | 121.5° | 120.0° |
| C21 | C19 | H14 | 118.2° | 120.0° |
| C19 | C20 | H5 | 120.1° | 120.0° |
| C20 | C19 | H14 | 118.2° | 120.0° |
| O11 | C04 | N01 | 120.1° | 120.5° |
| O11 | C04 | C08 | 120.6° | 120.5° |
| CL | C28 | C25 | 118.8° | 120.0° |
| C28 | C25 | C24 | 119.0° | 120.0° |
| C28 | C25 | C30 | 120.0° | 120.0° |
| C25 | C24 | C07 | 123.1° | 120.1° |
| C24 | C25 | C30 | 121.0° | 120.0° |
| C24 | C07 | C08 | 128.3° | 122.8° |
| C24 | C07 | C06 | 121.7° | 122.8° |
| N01 | C04 | C08 | 119.3° | 119.0° |
| C04 | N01 | C02 | 121.7° | 121.2° |
| C04 | C08 | C07 | 132.7° | 130.3° |
| C04 | C08 | C09 | 116.7° | 117.6° |
| C25 | C30 | H18 | 109.5° | 109.4° |
| C25 | C30 | H19 | 109.5° | 109.5° |
| C25 | C30 | H20 | 109.5° | 109.5° |
| N01 | C02 | N03 | 120.2° | 122.1° |
| N01 | C02 | H10 | 119.9° | 119.0° |
| C08 | C07 | C06 | 110.0° | 114.4° |
| C07 | C08 | C09 | 110.5° | 112.0° |
| C07 | C06 | C10 | 122.2° | 124.3° |
| C07 | C06 | S05 | 110.0° | 111.3° |
| C08 | C09 | N03 | 121.0° | 119.0° |
| C08 | C09 | S05 | 116.3° | 109.9° |
| C02 | N03 | C09 | 121.0° | 121.0° |
| N03 | C02 | H10 | 119.9° | 118.9° |
| C10 | C06 | S05 | 127.7° | 124.4° |
| C06 | C10 | C22 | 112.5° | 109.5° |
| C06 | C10 | H1 | 108.7° | 109.5° |
| C06 | C10 | H2 | 108.7° | 109.4° |
| C06 | S05 | C09 | 93.1° | 92.4° |
| N03 | C09 | S05 | 122.6° | 131.1° |
| C22 | C10 | H1 | 108.7° | 109.5° |
| C22 | C10 | H2 | 108.7° | 109.5° |
| C10 | C22 | H7 | 109.5° | 109.5° |
| C10 | C22 | H8 | 109.5° | 109.5° |
| C10 | C22 | H9 | 109.4° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H18 | C30 | H19 | 109.5° | 109.5° |
| H18 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.4° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H26 | C35 | H27 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
| H33 | C39 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.4° | 109.5° |
| H35 | C40 | H37 | 109.5° | 109.5° |
| H36 | C40 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | N34 | H26 | 119.9° | 120.0° |
| C36 | C35 | N34 | H27 | 119.9° | 120.0° |
| C35 | C36 | N37 | H28 | 120.6° | 120.0° |
| C35 | C36 | N37 | H29 | 120.6° | 120.0° |
| C36 | C35 | N34 | C33 | 168.1° | 176.8° |
| C36 | C35 | N34 | C39 | 62.5° | 59.3° |
| C35 | C36 | N37 | C40 | 163.2° | 176.8° |
| C35 | C36 | N37 | C38 | 40.8° | 59.3° |
| C36 | C35 | H26 | H27 | 120.4° | 120.0° |
| C35 | C36 | H28 | H29 | 118.2° | 120.1° |
| N34 | C35 | C36 | N37 | 48.3° | 58.4° |
| C35 | N34 | C33 | C39 | 125.4° | 123.8° |
| C35 | N34 | C33 | C32 | 110.1° | 66.2° |
| C35 | N34 | C39 | C38 | 70.9° | 59.3° |
| C35 | N34 | C33 | H23 | 10.5° | 53.8° |
| C35 | N34 | C33 | H24 | 129.3° | 173.8° |
| N34 | C35 | H26 | H27 | 120.4° | 120.0° |
| N34 | C35 | C36 | H28 | 72.2° | 61.6° |
| N34 | C35 | C36 | H29 | 168.9° | 178.4° |
| C35 | N34 | C39 | H33 | 48.9° | 60.6° |
| C35 | N34 | C39 | H34 | 169.3° | 179.3° |
| C36 | N37 | C40 | C38 | 126.0° | 123.8° |
| C36 | N37 | C38 | C39 | 47.6° | 59.3° |
| N37 | C36 | C35 | H26 | 71.6° | 178.4° |
| N37 | C36 | C35 | H27 | 168.2° | 61.6° |
| N37 | C36 | H28 | H29 | 118.2° | 120.0° |
| C36 | N37 | C38 | H31 | 72.7° | 60.7° |
| C36 | N37 | C38 | H32 | 167.8° | 179.3° |
| C36 | N37 | C40 | H35 | 180.0° | 60.0° |
| C36 | N37 | C40 | H36 | 60.0° | 180.0° |
| C36 | N37 | C40 | H37 | 60.0° | 60.0° |
| N34 | C33 | C32 | H23 | 120.6° | 120.0° |
| N34 | C33 | C32 | H24 | 120.6° | 120.0° |
| N34 | C33 | C32 | O31 | 69.3° | 65.0° |
| C33 | N34 | C39 | C38 | 160.8° | 176.8° |
| N34 | C33 | C32 | H21 | 51.1° | 54.9° |
| N34 | C33 | C32 | H22 | 170.3° | 175.0° |
| N34 | C33 | H23 | H24 | 118.2° | 119.9° |
| C33 | N34 | C35 | H26 | 72.0° | 56.8° |
| C33 | N34 | C35 | H27 | 48.2° | 63.2° |
| C33 | N34 | C39 | H33 | 79.4° | 63.2° |
| C33 | N34 | C39 | H34 | 41.0° | 56.8° |
| C32 | C33 | N34 | C39 | 15.3° | 170.0° |
| C33 | C32 | O31 | H21 | 120.4° | 120.0° |
| C33 | C32 | O31 | H22 | 120.4° | 120.0° |
| C33 | C32 | O31 | C26 | 170.2° | 180.0° |
| C33 | C32 | H21 | H22 | 118.9° | 120.0° |
| C32 | C33 | H23 | H24 | 118.2° | 120.1° |
| N34 | C39 | C38 | N37 | 61.8° | 58.4° |
| N34 | C39 | C38 | H33 | 119.8° | 119.9° |
| N34 | C39 | C38 | H34 | 119.8° | 120.0° |
| C39 | N34 | C33 | H23 | 135.9° | 70.0° |
| C39 | N34 | C33 | H24 | 105.3° | 50.0° |
| C39 | N34 | C35 | H26 | 57.4° | 179.3° |
| C39 | N34 | C35 | H27 | 177.6° | 60.7° |
| N34 | C39 | C38 | H31 | 58.5° | 61.6° |
| N34 | C39 | C38 | H32 | 177.9° | 178.4° |
| N34 | C39 | H33 | H34 | 120.5° | 120.0° |
| C40 | N37 | C38 | C39 | 171.5° | 176.8° |
| C40 | N37 | C36 | H28 | 42.6° | 63.2° |
| C40 | N37 | C36 | H29 | 76.2° | 56.8° |
| C40 | N37 | C38 | H31 | 51.3° | 63.2° |
| C40 | N37 | C38 | H32 | 68.2° | 56.8° |
| N37 | C40 | H35 | H36 | 120.0° | 120.0° |
| N37 | C40 | H35 | H37 | 120.0° | 120.1° |
| N37 | C40 | H36 | H37 | 120.0° | 120.0° |
| C32 | O31 | C26 | C27 | 32.9° | 0.0° |
| C32 | O31 | C26 | C28 | 148.5° | 180.0° |
| O31 | C32 | H21 | H22 | 118.8° | 120.0° |
| O31 | C32 | C33 | H23 | 170.1° | 175.0° |
| O31 | C32 | C33 | H24 | 51.3° | 55.0° |
| N37 | C38 | C39 | H31 | 120.3° | 120.0° |
| N37 | C38 | C39 | H32 | 120.3° | 120.0° |
| C38 | N37 | C36 | H28 | 79.8° | 60.7° |
| C38 | N37 | C36 | H29 | 161.4° | 179.3° |
| N37 | C38 | H31 | H32 | 119.2° | 120.1° |
| N37 | C38 | C39 | H33 | 58.1° | 61.5° |
| N37 | C38 | C39 | H34 | 178.4° | 178.4° |
| C38 | N37 | C40 | H35 | 54.0° | 176.2° |
| C38 | N37 | C40 | H36 | 66.0° | 56.2° |
| C38 | N37 | C40 | H37 | 174.0° | 63.8° |
| C39 | C38 | H31 | H32 | 119.2° | 120.0° |
| C38 | C39 | H33 | H34 | 120.5° | 120.1° |
| O31 | C26 | C27 | C28 | 178.7° | 180.0° |
| O31 | C26 | C27 | C29 | 179.1° | 179.2° |
| O31 | C26 | C28 | CL | 1.9° | 0.0° |
| O31 | C26 | C28 | C25 | 177.9° | 179.4° |
| O31 | C26 | C27 | H16 | 0.9° | 0.1° |
| C26 | O31 | C32 | H21 | 69.4° | 60.0° |
| C26 | O31 | C32 | H22 | 49.8° | 60.0° |
| O16 | C14 | C12 | C13 | 74.9° | 115.0° |
| O16 | C14 | O15 | C12 | 175.6° | 180.0° |
| O16 | C14 | C12 | O11 | 166.0° | 5.0° |
| O16 | C14 | C12 | H11 | 42.1° | 125.0° |
| O16 | C14 | O15 | H12 | 0.0° | 0.0° |
| C17 | C13 | C12 | H3 | 119.8° | 119.9° |
| C17 | C13 | C12 | H4 | 119.8° | 120.0° |
| C17 | C13 | C12 | C14 | 169.1° | 175.0° |
| C13 | C17 | C18 | C23 | 178.1° | 179.7° |
| C13 | C17 | C18 | C21 | 179.0° | 180.0° |
| C13 | C17 | C23 | C20 | 178.8° | 180.0° |
| C17 | C13 | C12 | O11 | 48.8° | 65.0° |
| C17 | C13 | H3 | H4 | 120.7° | 120.0° |
| C17 | C13 | C12 | H11 | 74.2° | 55.1° |
| C13 | C17 | C18 | H13 | 1.0° | 0.0° |
| C13 | C17 | C23 | H15 | 1.2° | 0.0° |
| C13 | C12 | C14 | O15 | 109.1° | 65.0° |
| C13 | C12 | C14 | O11 | 119.1° | 120.0° |
| C13 | C12 | C14 | H11 | 117.0° | 120.0° |
| C12 | C13 | C17 | C18 | 83.2° | 90.0° |
| C12 | C13 | C17 | C23 | 95.1° | 90.2° |
| C13 | C12 | O11 | H11 | 122.6° | 120.1° |
| C13 | C12 | O11 | C04 | 177.6° | 150.0° |
| C12 | C13 | H3 | H4 | 120.7° | 120.1° |
| O15 | C14 | C12 | O11 | 10.1° | 175.0° |
| O15 | C14 | C12 | H11 | 133.9° | 55.0° |
| C14 | C12 | O11 | H11 | 123.2° | 119.9° |
| C14 | C12 | O11 | C04 | 68.2° | 90.0° |
| C14 | C12 | C13 | H3 | 49.4° | 65.1° |
| C14 | C12 | C13 | H4 | 71.1° | 55.0° |
| C12 | C14 | O15 | H12 | 175.6° | 180.0° |
| C26 | C27 | C29 | H16 | 180.0° | 179.2° |
| C26 | C27 | C29 | C24 | 1.5° | 0.5° |
| C27 | C26 | C28 | CL | 179.4° | 180.0° |
| C27 | C26 | C28 | C25 | 0.8° | 0.5° |
| C26 | C27 | C29 | H17 | 178.5° | 179.5° |
| C29 | C27 | C26 | C28 | 0.4° | 0.8° |
| C27 | C29 | C24 | H17 | 180.0° | 180.0° |
| C27 | C29 | C24 | C25 | 1.4° | 0.0° |
| C27 | C29 | C24 | C07 | 179.8° | 179.7° |
| C17 | C18 | C21 | H13 | 180.0° | 180.0° |
| C18 | C17 | C23 | C20 | 0.7° | 0.3° |
| C17 | C18 | C21 | C19 | 0.4° | 0.0° |
| C18 | C17 | C13 | H3 | 36.6° | 150.0° |
| C18 | C17 | C13 | H4 | 157.1° | 30.0° |
| C17 | C18 | C21 | H6 | 179.6° | 179.7° |
| C18 | C17 | C23 | H15 | 179.3° | 179.7° |
| C23 | C17 | C18 | C21 | 1.0° | 0.3° |
| C17 | C23 | C20 | H15 | 180.0° | 180.0° |
| C17 | C23 | C20 | C19 | 0.9° | 0.0° |
| C23 | C17 | C13 | H3 | 145.1° | 29.7° |
| C23 | C17 | C13 | H4 | 24.7° | 149.7° |
| C17 | C23 | C20 | H5 | 179.1° | 179.7° |
| C23 | C17 | C18 | H13 | 179.0° | 179.7° |
| C26 | C28 | CL | C25 | 179.9° | 179.5° |
| C26 | C28 | C25 | C24 | 0.8° | 0.0° |
| C26 | C28 | C25 | C30 | 179.9° | 179.9° |
| C28 | C26 | C27 | H16 | 179.6° | 180.0° |
| C18 | C21 | C19 | H6 | 180.0° | 179.7° |
| C18 | C21 | C19 | C20 | 2.0° | 0.3° |
| C18 | C21 | C19 | H14 | 177.9° | 179.7° |
| C23 | C20 | C19 | C21 | 2.3° | 0.3° |
| C23 | C20 | C19 | H5 | 180.0° | 179.7° |
| C23 | C20 | C19 | H14 | 177.7° | 179.7° |
| C12 | O11 | C04 | N01 | 10.4° | 0.0° |
| C12 | O11 | C04 | C08 | 168.3° | 179.9° |
| O11 | C12 | C13 | H3 | 70.9° | 54.9° |
| O11 | C12 | C13 | H4 | 168.6° | 175.0° |
| C29 | C24 | C25 | C28 | 0.3° | 0.3° |
| C29 | C24 | C25 | C07 | 178.3° | 179.7° |
| C29 | C24 | C25 | C30 | 178.8° | 179.8° |
| C29 | C24 | C07 | C08 | 69.4° | 89.8° |
| C29 | C24 | C07 | C06 | 107.9° | 90.3° |
| C24 | C29 | C27 | H16 | 178.5° | 179.8° |
| C21 | C19 | C20 | H14 | 180.0° | 180.0° |
| C21 | C19 | C20 | H5 | 177.7° | 180.0° |
| C19 | C21 | C18 | H13 | 179.6° | 180.0° |
| C20 | C19 | C21 | H6 | 178.0° | 180.0° |
| C19 | C20 | C23 | H15 | 179.1° | 180.0° |
| O11 | C04 | N01 | C08 | 178.7° | 179.9° |
| O11 | C04 | N01 | C02 | 179.6° | 180.0° |
| O11 | C04 | C08 | C07 | 0.1° | 0.1° |
| O11 | C04 | C08 | C09 | 178.6° | 179.9° |
| C04 | O11 | C12 | H11 | 55.0° | 29.9° |
| CL | C28 | C25 | C24 | 179.3° | 179.4° |
| CL | C28 | C25 | C30 | 0.2° | 0.5° |
| C28 | C25 | C24 | C30 | 179.1° | 179.9° |
| C28 | C25 | C24 | C07 | 178.6° | 180.0° |
| C28 | C25 | C30 | H18 | 89.6° | 90.0° |
| C28 | C25 | C30 | H19 | 150.4° | 29.9° |
| C28 | C25 | C30 | H20 | 30.5° | 149.9° |
| C25 | C24 | C07 | C08 | 112.2° | 90.0° |
| C25 | C24 | C07 | C06 | 70.4° | 90.0° |
| C25 | C24 | C29 | H17 | 178.6° | 180.0° |
| C24 | C25 | C30 | H18 | 89.5° | 90.0° |
| C24 | C25 | C30 | H19 | 30.5° | 150.0° |
| C24 | C25 | C30 | H20 | 150.5° | 30.0° |
| C24 | C07 | C08 | C04 | 1.8° | 0.0° |
| C07 | C24 | C25 | C30 | 0.5° | 0.1° |
| C24 | C07 | C08 | C06 | 177.6° | 179.9° |
| C24 | C07 | C08 | C09 | 176.8° | 180.0° |
| C24 | C07 | C06 | C10 | 0.3° | 0.1° |
| C24 | C07 | C06 | S05 | 176.8° | 180.0° |
| C07 | C24 | C29 | H17 | 0.2° | 0.2° |
| N01 | C04 | C08 | C07 | 178.7° | 179.9° |
| N01 | C04 | C08 | C09 | 0.2° | 0.1° |
| C04 | N01 | C02 | N03 | 0.1° | 0.1° |
| C04 | N01 | C02 | H10 | 180.0° | 180.0° |
| C08 | C04 | N01 | C02 | 0.9° | 0.1° |
| C04 | C08 | C07 | C09 | 178.6° | 180.0° |
| C04 | C08 | C07 | C06 | 179.4° | 180.0° |
| C04 | C08 | C09 | N03 | 2.0° | 0.0° |
| C04 | C08 | C09 | S05 | 179.1° | 180.0° |
| C25 | C30 | H18 | H19 | 120.0° | 120.0° |
| C25 | C30 | H18 | H20 | 120.0° | 120.0° |
| C25 | C30 | H19 | H20 | 120.0° | 120.0° |
| N01 | C02 | N03 | H10 | 180.0° | 179.9° |
| N01 | C02 | N03 | C09 | 1.8° | 0.0° |
| C08 | C07 | C06 | C10 | 177.4° | 180.0° |
| C08 | C07 | C06 | S05 | 1.0° | 0.0° |
| C07 | C08 | C09 | N03 | 179.2° | 180.0° |
| C07 | C08 | C09 | S05 | 0.3° | 0.0° |
| C06 | C07 | C08 | C09 | 0.8° | 0.0° |
| C07 | C06 | C10 | S05 | 175.8° | 179.9° |
| C07 | C06 | S05 | C09 | 0.7° | 0.0° |
| C07 | C06 | C10 | C22 | 163.5° | 90.0° |
| C07 | C06 | C10 | H1 | 43.0° | 30.1° |
| C07 | C06 | C10 | H2 | 76.1° | 150.0° |
| C08 | C09 | N03 | C02 | 2.9° | 0.0° |
| C08 | C09 | S05 | C06 | 0.2° | 0.0° |
| C08 | C09 | N03 | S05 | 178.8° | 180.0° |
| C02 | N03 | C09 | S05 | 178.3° | 180.0° |
| C10 | C06 | S05 | C09 | 176.9° | 180.0° |
| C06 | C10 | C22 | H1 | 120.5° | 120.0° |
| C06 | C10 | C22 | H2 | 120.4° | 120.0° |
| C06 | C10 | H1 | H2 | 118.6° | 119.9° |
| C06 | C10 | C22 | H7 | 180.0° | 179.9° |
| C06 | C10 | C22 | H8 | 60.0° | 60.0° |
| C06 | C10 | C22 | H9 | 60.0° | 59.9° |
| C06 | S05 | C09 | N03 | 178.6° | 180.0° |
| S05 | C06 | C10 | C22 | 20.7° | 90.0° |
| S05 | C06 | C10 | H1 | 141.2° | 150.0° |
| S05 | C06 | C10 | H2 | 99.7° | 30.0° |
| C09 | N03 | C02 | H10 | 178.1° | 179.9° |
| C22 | C10 | H1 | H2 | 118.6° | 120.0° |
| C10 | C22 | H7 | H8 | 120.0° | 120.1° |
| C10 | C22 | H7 | H9 | 120.0° | 120.0° |
| C10 | C22 | H8 | H9 | 120.0° | 120.0° |
| H1 | C10 | C22 | H7 | 59.5° | 60.0° |
| H1 | C10 | C22 | H8 | 179.6° | 60.0° |
| H1 | C10 | C22 | H9 | 60.5° | 180.0° |
| H2 | C10 | C22 | H7 | 59.6° | 60.0° |
| H2 | C10 | C22 | H8 | 60.5° | 180.0° |
| H2 | C10 | C22 | H9 | 179.6° | 60.0° |
| H3 | C13 | C12 | H11 | 166.1° | 175.0° |
| H4 | C13 | C12 | H11 | 45.6° | 65.0° |
| H5 | C20 | C19 | H14 | 2.3° | 0.0° |
| H5 | C20 | C23 | H15 | 0.9° | 0.3° |
| H6 | C21 | C18 | H13 | 0.4° | 0.2° |
| H6 | C21 | C19 | H14 | 2.0° | 0.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.0° |
| H16 | C27 | C29 | H17 | 1.5° | 0.2° |
| H18 | C30 | H19 | H20 | 120.0° | 120.0° |
| H21 | C32 | C33 | H23 | 69.5° | 65.0° |
| H21 | C32 | C33 | H24 | 171.7° | 174.9° |
| H22 | C32 | C33 | H23 | 49.8° | 55.0° |
| H22 | C32 | C33 | H24 | 69.1° | 65.0° |
| H26 | C35 | C36 | H28 | 167.9° | 58.4° |
| H26 | C35 | C36 | H29 | 49.0° | 61.6° |
| H27 | C35 | C36 | H28 | 47.6° | 178.5° |
| H27 | C35 | C36 | H29 | 71.2° | 58.4° |
| H31 | C38 | C39 | H33 | 178.3° | 178.4° |
| H31 | C38 | C39 | H34 | 61.3° | 58.3° |
| H32 | C38 | C39 | H33 | 62.2° | 58.5° |
| H32 | C38 | C39 | H34 | 58.1° | 61.6° |
| H35 | C40 | H36 | H37 | 120.0° | 120.0° |
