P7U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.48Å | 1.53Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C53 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.42Å | 1.35Å | Aromatic |
| C14 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | N52 | sing | 1.34Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.45Å | Aromatic |
| C15 | C18 | sing | 1.42Å | 1.44Å | Aromatic |
| C16 | N17 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | N17 | sing | 1.33Å | 1.32Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.38Å | |
| C02 | C03 | doub | 1.36Å | 1.41Å | Aromatic |
| C02 | C53 | sing | 1.40Å | 1.41Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.78Å | |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| C06 | C53 | doub | 1.42Å | 1.37Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.46Å | |
| C18 | N40 | doub | 1.33Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.52Å | |
| C21 | N22 | sing | 1.47Å | 1.42Å | |
| C23 | C24 | sing | 1.51Å | 1.57Å | |
| C23 | N22 | sing | 1.35Å | 1.55Å | |
| C23 | O34 | doub | 1.21Å | 1.19Å | |
| C24 | C32 | sing | 1.53Å | 1.50Å | |
| C24 | O25 | sing | 1.43Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C39 | sing | 1.53Å | 1.54Å | |
| C35 | N22 | sing | 1.47Å | 1.45Å | |
| C36 | C37 | sing | 1.47Å | 1.58Å | |
| C37 | N38 | trip | 1.14Å | 1.20Å | |
| C39 | N19 | sing | 1.47Å | 1.52Å | |
| C41 | N40 | sing | 1.33Å | 1.34Å | Aromatic |
| C41 | N52 | doub | 1.32Å | 1.36Å | Aromatic |
| C41 | O42 | sing | 1.35Å | 1.44Å | |
| C43 | C44 | sing | 1.53Å | 1.58Å | |
| C43 | O42 | sing | 1.43Å | 1.41Å | |
| C44 | C48 | sing | 1.54Å | 1.32Å | |
| C44 | C51 | sing | 1.54Å | 1.63Å | |
| C44 | N45 | sing | 1.48Å | 1.58Å | |
| C46 | C47 | sing | 1.55Å | 1.52Å | |
| C46 | N45 | sing | 1.48Å | 1.34Å | |
| C47 | C48 | sing | 1.55Å | 1.53Å | |
| C49 | N45 | sing | 1.48Å | 1.57Å | |
| C50 | C51 | sing | 1.55Å | 1.46Å | |
| C24 | O1 | sing | 1.43Å | 1.47Å | |
| C32 | O2 | sing | 1.43Å | 1.45Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C48 | H27 | sing | 1.09Å | 1.10Å | |
| C48 | H28 | sing | 1.09Å | 1.10Å | |
| C49 | H29 | sing | 1.09Å | 1.10Å | |
| C49 | H30 | sing | 1.09Å | 1.10Å | |
| C50 | H32 | sing | 1.09Å | 1.10Å | |
| C50 | H33 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C51 | H36 | sing | 1.09Å | 1.10Å | |
| O25 | H38 | sing | 0.97Å | 0.95Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å | |
| O2 | H40 | sing | 0.97Å | 0.95Å | |
| C49 | C50 | sing | 1.56Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 111.3° | 120.3° |
| C11 | C10 | C53 | 128.2° | 120.4° |
| C10 | C11 | C12 | 110.8° | 119.3° |
| C10 | C11 | N17 | 127.8° | 119.3° |
| C09 | C10 | C53 | 119.9° | 119.3° |
| C10 | C09 | C08 | 122.1° | 120.7° |
| C10 | C09 | H7 | 118.9° | 119.7° |
| C10 | C53 | C02 | 123.8° | 121.2° |
| C10 | C53 | C06 | 117.4° | 119.3° |
| C15 | C14 | C12 | 118.1° | 118.2° |
| C15 | C14 | N52 | 120.5° | 119.0° |
| C14 | C15 | C16 | 118.6° | 119.2° |
| C14 | C15 | C18 | 117.2° | 118.2° |
| C12 | C14 | N52 | 121.4° | 122.8° |
| C14 | C12 | C11 | 119.4° | 118.4° |
| C14 | C12 | F13 | 114.3° | 120.8° |
| C14 | N52 | C41 | 120.8° | 120.3° |
| C16 | C15 | C18 | 124.2° | 122.6° |
| C15 | C16 | N17 | 122.3° | 120.2° |
| C15 | C16 | H1 | 118.8° | 119.9° |
| C15 | C18 | N19 | 121.6° | 120.9° |
| C15 | C18 | N40 | 120.9° | 118.2° |
| C16 | N17 | C11 | 120.6° | 122.5° |
| N17 | C16 | H1 | 118.8° | 119.9° |
| C12 | C11 | N17 | 120.7° | 121.4° |
| C11 | C12 | F13 | 126.2° | 120.8° |
| C03 | C02 | C53 | 120.8° | 119.7° |
| C03 | C02 | CL01 | 114.9° | 120.2° |
| C02 | C03 | C04 | 119.5° | 120.9° |
| C02 | C03 | H2 | 120.3° | 119.6° |
| C53 | C02 | CL01 | 124.2° | 120.2° |
| C02 | C53 | C06 | 118.7° | 119.5° |
| C03 | C04 | C05 | 120.2° | 121.0° |
| C04 | C03 | H2 | 120.2° | 119.5° |
| C03 | C04 | H3 | 119.9° | 119.5° |
| C04 | C05 | C06 | 120.3° | 119.7° |
| C05 | C04 | H3 | 119.9° | 119.5° |
| C04 | C05 | H4 | 119.8° | 120.2° |
| C05 | C06 | C07 | 117.5° | 121.2° |
| C05 | C06 | C53 | 120.4° | 119.3° |
| C06 | C05 | H4 | 119.9° | 120.1° |
| C07 | C06 | C53 | 122.2° | 119.5° |
| C06 | C07 | C08 | 120.7° | 120.1° |
| C06 | C07 | H5 | 119.7° | 119.9° |
| C07 | C08 | C09 | 117.6° | 121.1° |
| C08 | C07 | H5 | 119.6° | 120.0° |
| C07 | C08 | H6 | 121.2° | 119.4° |
| C09 | C08 | H6 | 121.2° | 119.5° |
| C08 | C09 | H7 | 119.0° | 119.6° |
| N19 | C18 | N40 | 117.5° | 120.9° |
| C18 | N19 | C20 | 124.0° | 111.0° |
| C18 | N19 | C39 | 125.7° | 111.0° |
| C18 | N40 | C41 | 120.6° | 121.5° |
| C21 | C20 | N19 | 105.5° | 109.4° |
| C20 | C21 | N22 | 111.8° | 108.5° |
| C21 | C20 | H8 | 110.4° | 109.5° |
| C21 | C20 | H9 | 110.4° | 109.5° |
| C20 | C21 | H10 | 108.9° | 109.6° |
| C20 | C21 | H11 | 108.9° | 109.6° |
| C20 | N19 | C39 | 110.2° | 111.2° |
| N19 | C20 | H8 | 110.5° | 109.5° |
| N19 | C20 | H9 | 110.5° | 109.5° |
| C21 | N22 | C23 | 120.6° | 120.9° |
| C21 | N22 | C35 | 116.7° | 118.2° |
| N22 | C21 | H10 | 108.9° | 109.7° |
| N22 | C21 | H11 | 108.9° | 109.6° |
| C24 | C23 | N22 | 125.0° | 120.0° |
| C24 | C23 | O34 | 117.5° | 120.0° |
| C23 | C24 | C32 | 99.7° | 109.5° |
| C23 | C24 | O25 | 115.7° | 109.5° |
| C23 | C24 | O1 | 105.9° | 109.5° |
| N22 | C23 | O34 | 117.4° | 120.0° |
| C23 | N22 | C35 | 122.6° | 120.9° |
| C32 | C24 | O25 | 114.6° | 109.5° |
| C24 | C32 | C33 | 122.7° | 109.5° |
| C32 | C24 | O1 | 109.2° | 109.5° |
| C24 | C32 | O2 | 106.1° | 109.4° |
| C24 | C32 | H12 | 100.3° | 109.5° |
| O25 | C24 | O1 | 110.8° | 109.4° |
| C24 | O25 | H38 | 109.5° | 114.0° |
| C33 | C32 | O2 | 121.8° | 109.5° |
| C33 | C32 | H12 | 99.8° | 109.5° |
| C32 | C33 | H13 | 109.5° | 109.5° |
| C32 | C33 | H14 | 109.5° | 109.5° |
| C32 | C33 | H15 | 109.5° | 109.5° |
| C36 | C35 | C39 | 108.4° | 109.6° |
| C36 | C35 | N22 | 114.1° | 109.6° |
| C35 | C36 | C37 | 118.3° | 109.5° |
| C36 | C35 | H16 | 108.3° | 109.6° |
| C35 | C36 | H17 | 107.2° | 109.5° |
| C35 | C36 | H18 | 107.2° | 109.4° |
| C39 | C35 | N22 | 107.7° | 108.6° |
| C35 | C39 | N19 | 110.2° | 109.3° |
| C39 | C35 | H16 | 108.5° | 109.6° |
| C35 | C39 | H19 | 109.3° | 109.6° |
| C35 | C39 | H20 | 109.3° | 109.5° |
| N22 | C35 | H16 | 109.7° | 109.8° |
| C36 | C37 | N38 | 176.9° | 180.0° |
| C37 | C36 | H17 | 107.2° | 109.5° |
| C37 | C36 | H18 | 107.2° | 109.5° |
| N19 | C39 | H19 | 109.3° | 109.5° |
| N19 | C39 | H20 | 109.3° | 109.5° |
| N40 | C41 | N52 | 120.1° | 122.8° |
| N40 | C41 | O42 | 121.9° | 118.6° |
| N52 | C41 | O42 | 118.0° | 118.6° |
| C41 | O42 | C43 | 113.9° | 117.0° |
| C44 | C43 | O42 | 106.6° | 109.5° |
| C43 | C44 | C48 | 111.6° | 110.8° |
| C43 | C44 | C51 | 108.0° | 110.8° |
| C43 | C44 | N45 | 111.2° | 110.8° |
| C44 | C43 | H21 | 110.2° | 109.5° |
| C44 | C43 | H22 | 110.2° | 109.4° |
| O42 | C43 | H21 | 110.2° | 109.5° |
| O42 | C43 | H22 | 110.2° | 109.5° |
| C48 | C44 | C51 | 111.0° | 109.1° |
| C48 | C44 | N45 | 107.9° | 107.3° |
| C44 | C48 | C47 | 104.1° | 103.0° |
| C44 | C48 | H27 | 110.8° | 110.8° |
| C44 | C48 | H28 | 110.8° | 110.7° |
| C51 | C44 | N45 | 107.1° | 108.0° |
| C44 | C51 | C50 | 105.2° | 103.2° |
| C44 | C51 | H35 | 110.5° | 110.7° |
| C44 | C51 | H36 | 110.5° | 110.7° |
| C44 | N45 | C46 | 105.8° | 108.4° |
| C44 | N45 | C49 | 104.0° | 108.3° |
| C47 | C46 | N45 | 102.0° | 104.9° |
| C46 | C47 | C48 | 101.6° | 101.6° |
| C47 | C46 | H23 | 111.3° | 110.4° |
| C47 | C46 | H24 | 111.3° | 110.3° |
| C46 | C47 | H25 | 111.4° | 111.0° |
| C46 | C47 | H26 | 111.4° | 111.0° |
| C46 | N45 | C49 | 141.5° | 109.7° |
| N45 | C46 | H23 | 111.3° | 110.3° |
| N45 | C46 | H24 | 111.3° | 110.3° |
| C48 | C47 | H25 | 111.4° | 111.0° |
| C48 | C47 | H26 | 111.4° | 111.0° |
| C47 | C48 | H27 | 110.8° | 110.7° |
| C47 | C48 | H28 | 110.8° | 110.7° |
| N45 | C49 | H29 | 110.1° | 110.4° |
| N45 | C49 | H30 | 110.1° | 110.3° |
| N45 | C49 | C50 | 106.8° | 104.8° |
| C51 | C50 | H32 | 110.6° | 112.1° |
| C51 | C50 | H33 | 110.6° | 109.6° |
| C50 | C51 | H35 | 110.5° | 110.7° |
| C50 | C51 | H36 | 110.5° | 110.7° |
| C51 | C50 | C49 | 105.1° | 102.0° |
| C24 | O1 | H39 | 109.5° | 114.0° |
| O2 | C32 | H12 | 100.6° | 109.4° |
| C32 | O2 | H40 | 109.5° | 114.0° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.8° |
| H13 | C33 | H14 | 109.5° | 109.5° |
| H13 | C33 | H15 | 109.4° | 109.5° |
| H14 | C33 | H15 | 109.5° | 109.4° |
| H17 | C36 | H18 | 109.5° | 109.5° |
| H19 | C39 | H20 | 109.5° | 109.5° |
| H21 | C43 | H22 | 109.5° | 109.4° |
| H23 | C46 | H24 | 109.5° | 110.4° |
| H25 | C47 | H26 | 109.5° | 110.9° |
| H27 | C48 | H28 | 109.5° | 110.8° |
| H29 | C49 | H30 | 109.5° | 110.4° |
| H29 | C49 | C50 | 110.1° | 111.5° |
| H30 | C49 | C50 | 110.1° | 109.3° |
| H32 | C50 | H33 | 109.4° | 110.9° |
| H32 | C50 | C49 | 110.5° | 111.0° |
| H33 | C50 | C49 | 110.6° | 110.9° |
| H35 | C51 | H36 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | C53 | 171.8° | 179.7° |
| C10 | C11 | C12 | C14 | 177.0° | 180.0° |
| C10 | C11 | N17 | C16 | 175.2° | 179.9° |
| C10 | C11 | C12 | N17 | 171.5° | 179.8° |
| C10 | C11 | C12 | F13 | 7.5° | 0.1° |
| C11 | C10 | C53 | C02 | 8.9° | 0.1° |
| C11 | C10 | C53 | C06 | 173.5° | 180.0° |
| C11 | C10 | C09 | C08 | 174.6° | 180.0° |
| C11 | C10 | C09 | H7 | 5.4° | 0.0° |
| C09 | C10 | C11 | C12 | 99.5° | 73.6° |
| C09 | C10 | C11 | N17 | 71.3° | 106.6° |
| C09 | C10 | C53 | C02 | 179.1° | 179.8° |
| C09 | C10 | C53 | C06 | 3.3° | 0.3° |
| C10 | C09 | C08 | C07 | 0.8° | 0.1° |
| C10 | C09 | C08 | H7 | 180.0° | 179.9° |
| C10 | C09 | C08 | H6 | 179.2° | 179.7° |
| C53 | C10 | C11 | C12 | 71.4° | 106.2° |
| C53 | C10 | C11 | N17 | 117.8° | 73.6° |
| C10 | C53 | C02 | C03 | 178.8° | 180.0° |
| C10 | C53 | C02 | C06 | 177.6° | 179.9° |
| C10 | C53 | C02 | CL01 | 2.5° | 0.1° |
| C10 | C53 | C06 | C05 | 179.6° | 180.0° |
| C10 | C53 | C06 | C07 | 1.9° | 0.0° |
| C53 | C10 | C09 | C08 | 2.8° | 0.3° |
| C53 | C10 | C09 | H7 | 177.2° | 179.7° |
| C15 | C14 | C12 | N52 | 179.3° | 179.7° |
| C14 | C15 | C16 | C18 | 179.0° | 180.0° |
| C14 | C15 | C16 | N17 | 0.4° | 0.1° |
| C15 | C14 | C12 | C11 | 2.7° | 0.0° |
| C15 | C14 | C12 | F13 | 178.7° | 180.0° |
| C14 | C15 | C18 | N19 | 178.5° | 180.0° |
| C14 | C15 | C18 | N40 | 0.4° | 0.1° |
| C15 | C14 | N52 | C41 | 1.2° | 0.5° |
| C14 | C15 | C16 | H1 | 179.6° | 180.0° |
| C12 | C14 | C15 | C16 | 0.1° | 0.0° |
| C12 | C14 | C15 | C18 | 179.2° | 180.0° |
| C14 | C12 | C11 | F13 | 175.5° | 179.9° |
| C14 | C12 | C11 | N17 | 5.5° | 0.2° |
| C12 | C14 | N52 | C41 | 178.1° | 179.8° |
| N52 | C14 | C15 | C16 | 179.2° | 179.7° |
| N52 | C14 | C15 | C18 | 0.1° | 0.3° |
| N52 | C14 | C12 | C11 | 178.0° | 179.8° |
| N52 | C14 | C12 | F13 | 2.0° | 0.3° |
| C14 | N52 | C41 | N40 | 1.7° | 0.5° |
| C14 | N52 | C41 | O42 | 179.5° | 179.7° |
| C15 | C16 | N17 | H1 | 180.0° | 179.9° |
| C15 | C16 | N17 | C11 | 2.4° | 0.2° |
| C16 | C15 | C18 | N19 | 2.4° | 0.0° |
| C16 | C15 | C18 | N40 | 178.6° | 179.9° |
| C18 | C15 | C16 | N17 | 179.4° | 179.9° |
| C15 | C18 | N19 | N40 | 179.0° | 179.9° |
| C15 | C18 | N19 | C20 | 141.9° | 124.7° |
| C15 | C18 | N19 | C39 | 43.9° | 111.0° |
| C15 | C18 | N40 | C41 | 0.1° | 0.0° |
| C18 | C15 | C16 | H1 | 0.6° | 0.0° |
| C16 | N17 | C11 | C12 | 5.3° | 0.3° |
| N17 | C11 | C12 | F13 | 179.0° | 179.9° |
| C11 | N17 | C16 | H1 | 177.6° | 179.8° |
| C03 | C02 | C53 | CL01 | 176.3° | 179.9° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C53 | C06 | 1.2° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C53 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C53 | C06 | C05 | 1.8° | 0.1° |
| C02 | C53 | C06 | C07 | 179.6° | 179.9° |
| C53 | C02 | C03 | H2 | 179.8° | 180.0° |
| CL01 | C02 | C03 | C04 | 176.4° | 180.0° |
| CL01 | C02 | C53 | C06 | 175.1° | 180.0° |
| CL01 | C02 | C03 | H2 | 3.6° | 0.0° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C03 | C04 | C05 | H4 | 179.3° | 180.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.8° | 179.9° |
| C04 | C05 | C06 | C53 | 1.6° | 0.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | C53 | 178.6° | 180.0° |
| C05 | C06 | C07 | C08 | 178.5° | 179.7° |
| C06 | C05 | C04 | H3 | 179.3° | 179.9° |
| C05 | C06 | C07 | H5 | 1.5° | 0.1° |
| C06 | C07 | C08 | H5 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.7° | 0.3° |
| C07 | C06 | C05 | H4 | 0.3° | 0.1° |
| C06 | C07 | C08 | H6 | 179.3° | 179.9° |
| C53 | C06 | C07 | C08 | 0.1° | 0.3° |
| C53 | C06 | C05 | H4 | 178.4° | 180.0° |
| C53 | C06 | C07 | H5 | 179.9° | 179.9° |
| C07 | C08 | C09 | H6 | 180.0° | 179.8° |
| C07 | C08 | C09 | H7 | 179.2° | 180.0° |
| C09 | C08 | C07 | H5 | 179.3° | 179.9° |
| C18 | N19 | C20 | C21 | 114.5° | 172.8° |
| C18 | N19 | C20 | C39 | 175.0° | 124.1° |
| C18 | N19 | C39 | C35 | 114.0° | 172.8° |
| N19 | C18 | N40 | C41 | 179.1° | 179.9° |
| C18 | N19 | C20 | H8 | 4.9° | 67.2° |
| C18 | N19 | C20 | H9 | 126.2° | 52.8° |
| C18 | N19 | C39 | H19 | 125.9° | 52.7° |
| C18 | N19 | C39 | H20 | 6.1° | 67.3° |
| N40 | C18 | N19 | C20 | 39.1° | 55.2° |
| N40 | C18 | N19 | C39 | 135.1° | 69.1° |
| C18 | N40 | C41 | N52 | 1.1° | 0.3° |
| C18 | N40 | C41 | O42 | 179.9° | 180.0° |
| C21 | C20 | N19 | H8 | 119.4° | 120.0° |
| C21 | C20 | N19 | H9 | 119.3° | 119.9° |
| C20 | C21 | N22 | H10 | 120.4° | 119.7° |
| C20 | C21 | N22 | H11 | 120.3° | 119.7° |
| C20 | C21 | N22 | C23 | 118.0° | 128.8° |
| C20 | C21 | N22 | C35 | 58.7° | 51.2° |
| C21 | C20 | N19 | C39 | 60.5° | 63.1° |
| C21 | C20 | H8 | H9 | 121.8° | 120.1° |
| C20 | C21 | H10 | H11 | 118.9° | 120.5° |
| N19 | C20 | C21 | N22 | 58.3° | 53.9° |
| C20 | N19 | C39 | C35 | 60.9° | 63.1° |
| N19 | C20 | H8 | H9 | 121.9° | 120.0° |
| N19 | C20 | C21 | H10 | 178.6° | 65.9° |
| N19 | C20 | C21 | H11 | 62.1° | 173.6° |
| C20 | N19 | C39 | H19 | 59.2° | 176.9° |
| C20 | N19 | C39 | H20 | 179.0° | 56.9° |
| C21 | N22 | C23 | C24 | 3.1° | 6.3° |
| C21 | N22 | C23 | C35 | 176.6° | 180.0° |
| C21 | N22 | C23 | O34 | 179.4° | 173.7° |
| C21 | N22 | C35 | C36 | 66.3° | 170.9° |
| C21 | N22 | C35 | C39 | 54.1° | 51.2° |
| N22 | C21 | C20 | H8 | 177.6° | 66.1° |
| N22 | C21 | C20 | H9 | 61.1° | 173.8° |
| N22 | C21 | H10 | H11 | 119.0° | 120.5° |
| C21 | N22 | C35 | H16 | 172.0° | 68.6° |
| C24 | C23 | N22 | O34 | 176.3° | 180.0° |
| C23 | C24 | C32 | O25 | 124.3° | 120.1° |
| C23 | C24 | C32 | O1 | 110.8° | 120.0° |
| C23 | C24 | O25 | O1 | 120.6° | 120.0° |
| C23 | C24 | C32 | C33 | 108.9° | 177.4° |
| C24 | C23 | N22 | C35 | 179.7° | 173.7° |
| C23 | C24 | C32 | O2 | 104.2° | 57.4° |
| C23 | C24 | C32 | H12 | 0.2° | 62.6° |
| C23 | C24 | O25 | H38 | 180.0° | 54.9° |
| C23 | C24 | O1 | H39 | 7.7° | 60.0° |
| N22 | C23 | C24 | C32 | 80.1° | 173.8° |
| N22 | C23 | C24 | O25 | 43.4° | 53.7° |
| C23 | N22 | C35 | C36 | 117.0° | 9.1° |
| C23 | N22 | C35 | C39 | 122.6° | 128.8° |
| N22 | C23 | C24 | O1 | 166.6° | 66.3° |
| C23 | N22 | C21 | H10 | 2.3° | 111.5° |
| C23 | N22 | C21 | H11 | 121.6° | 9.1° |
| C23 | N22 | C35 | H16 | 4.7° | 111.4° |
| O34 | C23 | C24 | C32 | 96.2° | 6.3° |
| O34 | C23 | C24 | O25 | 140.3° | 126.3° |
| O34 | C23 | N22 | C35 | 4.1° | 6.3° |
| O34 | C23 | C24 | O1 | 17.1° | 113.7° |
| C32 | C24 | O25 | O1 | 124.1° | 120.0° |
| C24 | C32 | C33 | O2 | 141.9° | 120.0° |
| C24 | C32 | C33 | H12 | 109.0° | 120.0° |
| C24 | C32 | O2 | H12 | 104.1° | 120.0° |
| C24 | C32 | C33 | H13 | 180.0° | 60.0° |
| C24 | C32 | C33 | H14 | 60.0° | 179.9° |
| C24 | C32 | C33 | H15 | 60.0° | 60.0° |
| C32 | C24 | O25 | H38 | 64.7° | 65.1° |
| C32 | C24 | O1 | H39 | 98.9° | 60.0° |
| C24 | C32 | O2 | H40 | 180.0° | 65.2° |
| O25 | C24 | C32 | C33 | 15.3° | 57.4° |
| O25 | C24 | C32 | O2 | 131.6° | 62.6° |
| O25 | C24 | C32 | H12 | 124.1° | 177.4° |
| O25 | C24 | O1 | H39 | 134.0° | 180.0° |
| C33 | C32 | C24 | O1 | 140.3° | 62.6° |
| C33 | C32 | O2 | H12 | 108.7° | 120.0° |
| C32 | C33 | H13 | H14 | 120.0° | 120.0° |
| C32 | C33 | H13 | H15 | 120.0° | 120.0° |
| C32 | C33 | H14 | H15 | 120.0° | 120.0° |
| C33 | C32 | O2 | H40 | 32.7° | 54.8° |
| C36 | C35 | C39 | N22 | 123.9° | 119.7° |
| C36 | C35 | C39 | H16 | 117.5° | 120.3° |
| C36 | C35 | N22 | H16 | 121.7° | 120.4° |
| C35 | C36 | C37 | H17 | 121.3° | 120.0° |
| C35 | C36 | C37 | H18 | 121.2° | 120.0° |
| C35 | C36 | C37 | N38 | 164.6° | 168.8° |
| C36 | C35 | C39 | N19 | 70.3° | 173.6° |
| C35 | C36 | H17 | H18 | 116.0° | 119.9° |
| C36 | C35 | C39 | H19 | 169.5° | 66.4° |
| C36 | C35 | C39 | H20 | 49.8° | 53.6° |
| C39 | C35 | N22 | H16 | 117.9° | 119.8° |
| C39 | C35 | C36 | C37 | 58.1° | 169.4° |
| C35 | C39 | N19 | H19 | 120.1° | 120.0° |
| C35 | C39 | N19 | H20 | 120.1° | 119.9° |
| C39 | C35 | C36 | H17 | 179.3° | 70.6° |
| C39 | C35 | C36 | H18 | 63.2° | 49.4° |
| C35 | C39 | H19 | H20 | 119.6° | 120.1° |
| N22 | C35 | C36 | C37 | 178.1° | 71.5° |
| N22 | C35 | C39 | N19 | 53.6° | 53.8° |
| C35 | N22 | C21 | H10 | 179.1° | 68.5° |
| C35 | N22 | C21 | H11 | 61.6° | 170.9° |
| N22 | C35 | C36 | H17 | 60.7° | 48.5° |
| N22 | C35 | C36 | H18 | 56.8° | 168.4° |
| N22 | C35 | C39 | H19 | 66.5° | 173.8° |
| N22 | C35 | C39 | H20 | 173.7° | 66.1° |
| C37 | C36 | C35 | H16 | 59.5° | 49.0° |
| C37 | C36 | H17 | H18 | 116.0° | 120.0° |
| N38 | C37 | C36 | H17 | 43.3° | 71.2° |
| N38 | C37 | C36 | H18 | 74.2° | 48.8° |
| C39 | N19 | C20 | H8 | 179.9° | 56.9° |
| C39 | N19 | C20 | H9 | 58.8° | 176.9° |
| N19 | C39 | C35 | H16 | 172.2° | 66.1° |
| N19 | C39 | H19 | H20 | 119.7° | 120.0° |
| N40 | C41 | N52 | O42 | 178.9° | 179.8° |
| N40 | C41 | O42 | C43 | 25.0° | 180.0° |
| N52 | C41 | O42 | C43 | 156.2° | 0.3° |
| C41 | O42 | C43 | C44 | 160.5° | 180.0° |
| C41 | O42 | C43 | H21 | 40.9° | 60.0° |
| C41 | O42 | C43 | H22 | 79.9° | 60.0° |
| C44 | C43 | O42 | H21 | 119.5° | 120.0° |
| C44 | C43 | O42 | H22 | 119.6° | 120.0° |
| C43 | C44 | C48 | C51 | 120.5° | 122.2° |
| C43 | C44 | C48 | N45 | 122.5° | 121.1° |
| C43 | C44 | C51 | N45 | 119.9° | 121.5° |
| C43 | C44 | N45 | C46 | 112.1° | 121.7° |
| C43 | C44 | C48 | C47 | 139.5° | 98.5° |
| C43 | C44 | N45 | C49 | 92.4° | 119.4° |
| C43 | C44 | C51 | C50 | 83.8° | 142.2° |
| C44 | C43 | H21 | H22 | 121.4° | 120.0° |
| C43 | C44 | C48 | H27 | 20.4° | 19.9° |
| C43 | C44 | C48 | H28 | 101.3° | 143.2° |
| C43 | C44 | C51 | H35 | 156.8° | 99.4° |
| C43 | C44 | C51 | H36 | 35.5° | 23.8° |
| O42 | C43 | C44 | C48 | 41.4° | 61.0° |
| O42 | C43 | C44 | C51 | 163.6° | 60.2° |
| O42 | C43 | C44 | N45 | 79.1° | 180.0° |
| O42 | C43 | H21 | H22 | 121.3° | 120.0° |
| C48 | C44 | C51 | N45 | 117.5° | 116.3° |
| C44 | C48 | C47 | C46 | 36.4° | 35.8° |
| C48 | C44 | N45 | C46 | 10.5° | 0.6° |
| C44 | C48 | C47 | H27 | 119.1° | 118.4° |
| C44 | C48 | C47 | H28 | 119.1° | 118.4° |
| C48 | C44 | N45 | C49 | 144.9° | 119.6° |
| C48 | C44 | C51 | C50 | 153.6° | 95.6° |
| C48 | C44 | C43 | H21 | 160.9° | 59.0° |
| C48 | C44 | C43 | H22 | 78.1° | 179.0° |
| C44 | C48 | C47 | H25 | 82.3° | 153.9° |
| C44 | C48 | C47 | H26 | 155.1° | 82.2° |
| C44 | C48 | H27 | H28 | 122.5° | 123.2° |
| C48 | C44 | C51 | H35 | 34.3° | 22.9° |
| C48 | C44 | C51 | H36 | 87.1° | 146.0° |
| C51 | C44 | N45 | C46 | 130.1° | 116.8° |
| C51 | C44 | C48 | C47 | 100.0° | 139.3° |
| C51 | C44 | N45 | C49 | 25.4° | 2.1° |
| C44 | C51 | C50 | H35 | 119.3° | 118.4° |
| C44 | C51 | C50 | H36 | 119.3° | 118.4° |
| C51 | C44 | C43 | H21 | 76.9° | 179.8° |
| C51 | C44 | C43 | H22 | 44.0° | 59.8° |
| C51 | C44 | C48 | H27 | 140.9° | 102.3° |
| C51 | C44 | C48 | H28 | 19.1° | 21.0° |
| C44 | C51 | C50 | H32 | 148.7° | 152.8° |
| C44 | C51 | C50 | H33 | 90.0° | 83.6° |
| C44 | C51 | H35 | H36 | 121.9° | 123.1° |
| C44 | C51 | C50 | C49 | 29.3° | 34.0° |
| C44 | N45 | C46 | C47 | 32.7° | 23.8° |
| C44 | N45 | C46 | C49 | 139.6° | 118.1° |
| N45 | C44 | C48 | C47 | 17.1° | 22.6° |
| N45 | C44 | C51 | C50 | 36.0° | 20.7° |
| N45 | C44 | C43 | H21 | 40.4° | 59.9° |
| N45 | C44 | C43 | H22 | 161.3° | 60.0° |
| C44 | N45 | C46 | H23 | 86.1° | 142.7° |
| C44 | N45 | C46 | H24 | 151.5° | 95.0° |
| N45 | C44 | C48 | H27 | 102.0° | 141.0° |
| N45 | C44 | C48 | H28 | 136.2° | 95.8° |
| C44 | N45 | C49 | H29 | 111.9° | 144.2° |
| C44 | N45 | C49 | H30 | 127.2° | 93.5° |
| N45 | C44 | C51 | H35 | 83.3° | 139.1° |
| N45 | C44 | C51 | H36 | 155.4° | 97.7° |
| C44 | N45 | C49 | C50 | 7.6° | 24.1° |
| C47 | C46 | N45 | H23 | 118.8° | 118.9° |
| C47 | C46 | N45 | H24 | 118.8° | 118.8° |
| C46 | C47 | C48 | H25 | 118.7° | 118.1° |
| C46 | C47 | C48 | H26 | 118.7° | 118.1° |
| C47 | C46 | N45 | C49 | 106.9° | 141.9° |
| C47 | C46 | H23 | H24 | 123.5° | 122.3° |
| C46 | C47 | H25 | H26 | 123.6° | 123.9° |
| C46 | C47 | C48 | H27 | 82.7° | 154.2° |
| C46 | C47 | C48 | H28 | 155.5° | 82.5° |
| N45 | C46 | C47 | C48 | 42.9° | 37.0° |
| N45 | C46 | H23 | H24 | 123.5° | 122.2° |
| N45 | C46 | C47 | H25 | 75.8° | 155.1° |
| N45 | C46 | C47 | H26 | 161.6° | 81.0° |
| C46 | N45 | C49 | H29 | 108.0° | 26.1° |
| C46 | N45 | C49 | H30 | 12.8° | 148.4° |
| C46 | N45 | C49 | C50 | 132.4° | 94.0° |
| C48 | C47 | C46 | H23 | 75.9° | 155.9° |
| C48 | C47 | C46 | H24 | 161.7° | 81.8° |
| C48 | C47 | H25 | H26 | 123.7° | 123.9° |
| C47 | C48 | H27 | H28 | 122.5° | 123.2° |
| N45 | C49 | C50 | C51 | 14.4° | 36.1° |
| C49 | N45 | C46 | H23 | 134.3° | 99.2° |
| C49 | N45 | C46 | H24 | 11.9° | 23.1° |
| N45 | C49 | H29 | H30 | 121.2° | 122.3° |
| N45 | C49 | H29 | C50 | 117.6° | 116.1° |
| N45 | C49 | H30 | C50 | 117.6° | 114.8° |
| N45 | C49 | C50 | H32 | 133.7° | 155.8° |
| N45 | C49 | C50 | H33 | 104.9° | 80.5° |
| C51 | C50 | C49 | H29 | 134.0° | 155.6° |
| C51 | C50 | C49 | H30 | 105.2° | 82.1° |
| C51 | C50 | H32 | H33 | 122.0° | 122.8° |
| C51 | C50 | H32 | C49 | 116.0° | 113.4° |
| C51 | C50 | H33 | C49 | 116.0° | 111.8° |
| C50 | C51 | H35 | H36 | 122.0° | 123.1° |
| O1 | C24 | C32 | O2 | 6.6° | 177.4° |
| O1 | C24 | C32 | H12 | 110.9° | 57.4° |
| O1 | C24 | O25 | H38 | 59.4° | 174.9° |
| O2 | C32 | C33 | H13 | 38.1° | 180.0° |
| O2 | C32 | C33 | H14 | 81.9° | 60.0° |
| O2 | C32 | C33 | H15 | 158.1° | 60.0° |
| H2 | C03 | C04 | H3 | 0.0° | 0.1° |
| H3 | C04 | C05 | H4 | 0.7° | 0.1° |
| H5 | C07 | C08 | H6 | 0.7° | 0.3° |
| H6 | C08 | C09 | H7 | 0.8° | 0.2° |
| H8 | C20 | C21 | H10 | 62.0° | 174.1° |
| H8 | C20 | C21 | H11 | 57.3° | 53.5° |
| H9 | C20 | C21 | H10 | 59.2° | 54.1° |
| H9 | C20 | C21 | H11 | 178.5° | 66.5° |
| H12 | C32 | C33 | H13 | 71.0° | 60.0° |
| H12 | C32 | C33 | H14 | 169.0° | 60.0° |
| H12 | C32 | C33 | H15 | 49.0° | 180.0° |
| H12 | C32 | O2 | H40 | 75.9° | 174.8° |
| H13 | C33 | H14 | H15 | 119.9° | 120.0° |
| H16 | C35 | C36 | H17 | 61.8° | 169.1° |
| H16 | C35 | C36 | H18 | 179.3° | 71.0° |
| H16 | C35 | C39 | H19 | 52.1° | 53.9° |
| H16 | C35 | C39 | H20 | 67.7° | 174.0° |
| H23 | C46 | C47 | H25 | 165.4° | 86.0° |
| H23 | C46 | C47 | H26 | 42.8° | 37.8° |
| H24 | C46 | C47 | H25 | 43.0° | 36.3° |
| H24 | C46 | C47 | H26 | 79.6° | 160.2° |
| H25 | C47 | C48 | H27 | 158.5° | 87.7° |
| H25 | C47 | C48 | H28 | 36.8° | 35.5° |
| H26 | C47 | C48 | H27 | 36.0° | 36.2° |
| H26 | C47 | C48 | H28 | 85.8° | 159.4° |
| H29 | C49 | H30 | C50 | 121.2° | 122.9° |
| H29 | C49 | C50 | H32 | 106.7° | 84.8° |
| H29 | C49 | C50 | H33 | 14.6° | 39.0° |
| H30 | C49 | C50 | H32 | 14.1° | 37.5° |
| H30 | C49 | C50 | H33 | 135.5° | 161.3° |
| H32 | C50 | H33 | C49 | 122.0° | 123.9° |
| H32 | C50 | C51 | H35 | 29.3° | 88.8° |
| H32 | C50 | C51 | H36 | 92.0° | 34.4° |
| H33 | C50 | C51 | H35 | 150.7° | 34.8° |
| H33 | C50 | C51 | H36 | 29.3° | 158.0° |
| H35 | C51 | C50 | C49 | 90.0° | 152.4° |
| H36 | C51 | C50 | C49 | 148.6° | 84.4° |
