DE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C12 | doub | 1.30Å | 1.45Å | |
| N11 | C12 | sing | 1.38Å | 1.45Å | |
| N11 | C10 | sing | 1.46Å | 1.45Å | |
| C12 | N13 | sing | 1.37Å | 1.25Å | |
| N08 | C06 | sing | 1.48Å | 1.46Å | |
| N08 | C09 | sing | 1.37Å | 1.45Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C15 | C10 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N04 | C05 | sing | 1.36Å | 1.45Å | |
| N04 | C03 | sing | 1.48Å | 1.45Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C05 | O46 | doub | 1.21Å | 1.18Å | |
| C09 | O45 | doub | 1.21Å | 1.19Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.48Å | 1.45Å | |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| O39 | C38 | doub | 1.21Å | 1.19Å | |
| N19 | C20 | sing | 1.37Å | 1.45Å | |
| C43 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.53Å | |
| O21 | C20 | doub | 1.21Å | 1.19Å | |
| C20 | C22 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | sing | 1.51Å | 1.53Å | |
| C38 | N37 | sing | 1.37Å | 1.46Å | |
| O30 | C29 | doub | 1.21Å | 1.19Å | |
| C29 | C31 | sing | 1.51Å | 1.53Å | |
| C29 | N28 | sing | 1.36Å | 1.45Å | |
| C31 | N37 | sing | 1.48Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| N28 | C22 | sing | 1.48Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C35 | N36 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | N27 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| N04 | H40 | sing | 0.97Å | 1.00Å | |
| N08 | H41 | sing | 0.97Å | 1.00Å | |
| N11 | H42 | sing | 0.97Å | 1.00Å | |
| N13 | H43 | sing | 0.97Å | 1.00Å | |
| N13 | H44 | sing | 0.97Å | 1.00Å | |
| N14 | H45 | sing | 0.97Å | 1.00Å | |
| N19 | H46 | sing | 0.97Å | 1.00Å | |
| N27 | H47 | sing | 1.01Å | 1.00Å | |
| N27 | H48 | sing | 1.01Å | 1.00Å | |
| N28 | H50 | sing | 0.97Å | 1.00Å | |
| N36 | H51 | sing | 1.01Å | 1.00Å | |
| N36 | H52 | sing | 1.01Å | 1.00Å | |
| N37 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C12 | N11 | 119.1° | 119.9° |
| N14 | C12 | N13 | 120.3° | 120.1° |
| C12 | N14 | H45 | 112.0° | 119.9° |
| C12 | N11 | C10 | 121.5° | 120.0° |
| N11 | C12 | N13 | 120.6° | 120.0° |
| C12 | N11 | H42 | 119.3° | 120.0° |
| N11 | C10 | C15 | 107.6° | 109.5° |
| N11 | C10 | C09 | 111.0° | 109.5° |
| N11 | C10 | H1 | 109.0° | 109.5° |
| C10 | N11 | H42 | 119.2° | 120.0° |
| C12 | N13 | H43 | 120.0° | 120.0° |
| C12 | N13 | H44 | 120.0° | 120.0° |
| C06 | N08 | C09 | 122.4° | 115.3° |
| N08 | C06 | C07 | 112.1° | 109.6° |
| N08 | C06 | C05 | 110.3° | 108.7° |
| N08 | C06 | H14 | 107.3° | 109.6° |
| C06 | N08 | H41 | 118.8° | 122.3° |
| N08 | C09 | C10 | 119.1° | 118.7° |
| N08 | C09 | O45 | 120.8° | 120.6° |
| C09 | N08 | H41 | 118.8° | 122.3° |
| C07 | C06 | C05 | 113.8° | 109.6° |
| C07 | C06 | H14 | 106.4° | 109.6° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.5° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| C06 | C05 | N04 | 119.2° | 119.2° |
| C06 | C05 | O46 | 120.4° | 120.4° |
| C05 | C06 | H14 | 106.4° | 109.7° |
| C10 | C15 | C16 | 111.1° | 109.4° |
| C15 | C10 | C09 | 113.1° | 109.4° |
| C15 | C10 | H1 | 108.1° | 109.5° |
| C10 | C15 | H2 | 109.1° | 109.4° |
| C10 | C15 | H3 | 109.1° | 109.5° |
| C15 | C16 | C17 | 108.1° | 109.4° |
| C16 | C15 | H2 | 109.1° | 109.5° |
| C16 | C15 | H3 | 109.1° | 109.5° |
| C15 | C16 | H18 | 109.8° | 109.4° |
| C15 | C16 | H19 | 109.8° | 109.5° |
| C05 | N04 | C03 | 120.3° | 116.6° |
| N04 | C05 | O46 | 120.4° | 120.4° |
| C05 | N04 | H40 | 119.8° | 121.7° |
| N04 | C03 | C02 | 107.6° | 108.8° |
| N04 | C03 | H12 | 109.9° | 109.6° |
| N04 | C03 | H13 | 109.9° | 109.6° |
| C03 | N04 | H40 | 119.8° | 121.7° |
| C10 | C09 | O45 | 120.1° | 120.7° |
| C09 | C10 | H1 | 108.0° | 109.5° |
| C16 | C17 | C18 | 108.8° | 109.5° |
| C16 | C17 | H4 | 109.6° | 109.5° |
| C16 | C17 | H5 | 109.7° | 109.4° |
| C17 | C16 | H18 | 109.8° | 109.5° |
| C17 | C16 | H19 | 109.8° | 109.5° |
| C17 | C18 | N19 | 108.7° | 108.6° |
| C18 | C17 | H4 | 109.6° | 109.5° |
| C18 | C17 | H5 | 109.6° | 109.5° |
| C17 | C18 | H20 | 109.6° | 109.7° |
| C17 | C18 | H21 | 109.6° | 109.7° |
| C03 | C02 | C01 | 120.7° | 120.0° |
| C03 | C02 | C42 | 119.3° | 120.0° |
| C02 | C03 | H12 | 109.9° | 109.6° |
| C02 | C03 | H13 | 109.9° | 109.6° |
| C02 | C01 | C44 | 119.9° | 120.0° |
| C01 | C02 | C42 | 119.9° | 120.1° |
| C02 | C01 | H11 | 120.1° | 120.0° |
| C01 | C44 | C43 | 120.1° | 120.0° |
| C44 | C01 | H11 | 120.1° | 120.0° |
| C01 | C44 | H39 | 120.0° | 120.0° |
| C02 | C42 | C41 | 120.3° | 120.0° |
| C02 | C42 | H37 | 119.9° | 120.1° |
| C18 | N19 | C20 | 119.9° | 115.3° |
| N19 | C18 | H20 | 109.7° | 109.6° |
| N19 | C18 | H21 | 109.7° | 109.6° |
| C18 | N19 | H46 | 120.0° | 122.4° |
| C44 | C43 | C41 | 120.0° | 120.0° |
| C44 | C43 | H38 | 120.0° | 120.0° |
| C43 | C44 | H39 | 119.9° | 120.0° |
| C42 | C41 | C43 | 119.9° | 120.0° |
| C42 | C41 | C40 | 119.6° | 120.0° |
| C41 | C42 | H37 | 119.8° | 120.0° |
| O39 | C38 | C40 | 120.2° | 120.6° |
| O39 | C38 | N37 | 121.1° | 120.6° |
| N19 | C20 | O21 | 120.4° | 120.6° |
| N19 | C20 | C22 | 119.0° | 118.8° |
| C20 | N19 | H46 | 120.0° | 122.3° |
| C43 | C41 | C40 | 120.5° | 120.0° |
| C41 | C43 | H38 | 120.0° | 120.0° |
| C41 | C40 | C38 | 109.8° | 109.5° |
| C41 | C40 | H35 | 109.4° | 109.4° |
| C41 | C40 | H36 | 109.4° | 109.5° |
| O21 | C20 | C22 | 120.6° | 120.6° |
| C20 | C22 | N28 | 112.4° | 108.8° |
| C20 | C22 | C23 | 113.7° | 109.5° |
| C20 | C22 | H6 | 106.7° | 109.6° |
| C40 | C38 | N37 | 118.7° | 118.7° |
| C38 | C40 | H35 | 109.4° | 109.5° |
| C38 | C40 | H36 | 109.4° | 109.5° |
| C38 | N37 | C31 | 122.3° | 115.4° |
| C38 | N37 | H54 | 118.8° | 122.3° |
| O30 | C29 | C31 | 120.1° | 120.5° |
| O30 | C29 | N28 | 120.0° | 120.5° |
| C31 | C29 | N28 | 119.8° | 119.0° |
| C29 | C31 | N37 | 109.8° | 108.6° |
| C29 | C31 | C32 | 107.2° | 109.6° |
| C29 | C31 | H26 | 110.0° | 109.6° |
| C29 | N28 | C22 | 119.8° | 116.5° |
| C29 | N28 | H50 | 120.0° | 121.8° |
| N37 | C31 | C32 | 108.6° | 109.6° |
| N37 | C31 | H26 | 111.1° | 109.6° |
| C31 | N37 | H54 | 118.8° | 122.3° |
| C31 | C32 | C33 | 112.5° | 109.5° |
| C32 | C31 | H26 | 110.0° | 109.7° |
| C31 | C32 | H27 | 108.7° | 109.5° |
| C31 | C32 | H28 | 108.7° | 109.4° |
| N28 | C22 | C23 | 109.3° | 109.6° |
| N28 | C22 | H6 | 107.6° | 109.7° |
| C22 | N28 | H50 | 120.1° | 121.7° |
| C22 | C23 | C24 | 108.1° | 109.5° |
| C23 | C22 | H6 | 106.7° | 109.6° |
| C22 | C23 | H22 | 109.8° | 109.5° |
| C22 | C23 | H23 | 109.8° | 109.5° |
| C32 | C33 | C34 | 107.6° | 109.5° |
| C33 | C32 | H27 | 108.7° | 109.5° |
| C33 | C32 | H28 | 108.7° | 109.4° |
| C32 | C33 | H29 | 109.9° | 109.5° |
| C32 | C33 | H30 | 109.9° | 109.4° |
| C33 | C34 | C35 | 110.2° | 109.4° |
| C34 | C33 | H29 | 109.9° | 109.5° |
| C34 | C33 | H30 | 109.9° | 109.5° |
| C33 | C34 | H31 | 109.3° | 109.5° |
| C33 | C34 | H32 | 109.3° | 109.5° |
| C23 | C24 | C25 | 109.3° | 109.5° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C23 | C24 | H8 | 109.5° | 109.4° |
| C24 | C23 | H22 | 109.8° | 109.5° |
| C24 | C23 | H23 | 109.8° | 109.4° |
| C34 | C35 | N36 | 109.1° | 109.4° |
| C35 | C34 | H31 | 109.3° | 109.5° |
| C35 | C34 | H32 | 109.3° | 109.4° |
| C34 | C35 | H33 | 109.5° | 109.5° |
| C34 | C35 | H34 | 109.6° | 109.5° |
| C24 | C25 | C26 | 109.1° | 109.5° |
| C25 | C24 | H7 | 109.5° | 109.5° |
| C25 | C24 | H8 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.6° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| N36 | C35 | H33 | 109.5° | 109.5° |
| N36 | C35 | H34 | 109.6° | 109.5° |
| C35 | N36 | H51 | 109.5° | 111.0° |
| C35 | N36 | H52 | 109.5° | 111.0° |
| C25 | C26 | N27 | 110.1° | 109.5° |
| C25 | C26 | H9 | 109.3° | 109.5° |
| C25 | C26 | H10 | 109.3° | 109.4° |
| C26 | C25 | H24 | 109.5° | 109.4° |
| C26 | C25 | H25 | 109.5° | 109.5° |
| N27 | C26 | H9 | 109.3° | 109.5° |
| N27 | C26 | H10 | 109.3° | 109.5° |
| C26 | N27 | H47 | 109.5° | 111.0° |
| C26 | N27 | H48 | 109.5° | 111.0° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C26 | H10 | 109.5° | 109.4° |
| H12 | C03 | H13 | 109.5° | 109.7° |
| H15 | C07 | H16 | 109.4° | 109.4° |
| H15 | C07 | H17 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.7° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.4° | 109.5° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.4° | 109.5° |
| H43 | N13 | H44 | 120.0° | 120.0° |
| H47 | N27 | H48 | 109.4° | 111.0° |
| H51 | N36 | H52 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C12 | N11 | N13 | 179.9° | 180.0° |
| N14 | C12 | N11 | C10 | 179.9° | 0.1° |
| N14 | C12 | N11 | H42 | 0.1° | 180.0° |
| N14 | C12 | N13 | H43 | 179.9° | 180.0° |
| N14 | C12 | N13 | H44 | 0.1° | 0.1° |
| C12 | N11 | C10 | H42 | 180.0° | 180.0° |
| C12 | N11 | C10 | C15 | 163.4° | 155.0° |
| C12 | N11 | C10 | C09 | 72.4° | 85.1° |
| C12 | N11 | C10 | H1 | 46.4° | 35.0° |
| N11 | C12 | N13 | H43 | 0.0° | 0.1° |
| N11 | C12 | N13 | H44 | 180.0° | 180.0° |
| N11 | C12 | N14 | H45 | 179.9° | 180.0° |
| C10 | N11 | C12 | N13 | 0.2° | 180.0° |
| N11 | C10 | C09 | N08 | 35.8° | 131.9° |
| N11 | C10 | C15 | C09 | 122.9° | 120.0° |
| N11 | C10 | C15 | H1 | 117.6° | 120.1° |
| N11 | C10 | C15 | C16 | 172.9° | 50.6° |
| N11 | C10 | C09 | H1 | 119.4° | 120.1° |
| N11 | C10 | C09 | O45 | 144.3° | 48.0° |
| N11 | C10 | C15 | H2 | 66.8° | 69.3° |
| N11 | C10 | C15 | H3 | 52.7° | 170.6° |
| N13 | C12 | N11 | H42 | 179.8° | 0.0° |
| C12 | N13 | H43 | H44 | 180.0° | 179.9° |
| N13 | C12 | N14 | H45 | 0.0° | 0.0° |
| C06 | N08 | C09 | H41 | 180.0° | 180.0° |
| N08 | C06 | C07 | C05 | 126.1° | 119.2° |
| N08 | C06 | C07 | H14 | 117.0° | 120.3° |
| N08 | C06 | C05 | H14 | 116.1° | 119.8° |
| N08 | C06 | C05 | N04 | 46.1° | 139.4° |
| C06 | N08 | C09 | C10 | 179.9° | 180.0° |
| N08 | C06 | C05 | O46 | 134.0° | 40.6° |
| C06 | N08 | C09 | O45 | 0.2° | 0.1° |
| N08 | C06 | C07 | H15 | 180.0° | 161.9° |
| N08 | C06 | C07 | H16 | 60.0° | 78.1° |
| N08 | C06 | C07 | H17 | 60.0° | 41.9° |
| C09 | N08 | C06 | C07 | 66.7° | 31.3° |
| C09 | N08 | C06 | C05 | 61.2° | 151.1° |
| N08 | C09 | C10 | C15 | 85.3° | 108.1° |
| N08 | C09 | C10 | O45 | 179.9° | 179.9° |
| N08 | C09 | C10 | H1 | 155.2° | 11.8° |
| C09 | N08 | C06 | H14 | 176.8° | 89.0° |
| C07 | C06 | C05 | H14 | 116.9° | 120.4° |
| C07 | C06 | C05 | N04 | 173.1° | 19.7° |
| C07 | C06 | C05 | O46 | 6.9° | 160.4° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H17 | 120.0° | 120.0° |
| C06 | C07 | H16 | H17 | 120.0° | 120.1° |
| C07 | C06 | N08 | H41 | 113.3° | 148.6° |
| C06 | C05 | N04 | O46 | 180.0° | 179.9° |
| C06 | C05 | N04 | C03 | 179.6° | 179.9° |
| C05 | C06 | C07 | H15 | 53.9° | 42.7° |
| C05 | C06 | C07 | H16 | 173.9° | 162.6° |
| C05 | C06 | C07 | H17 | 66.1° | 77.3° |
| C06 | C05 | N04 | H40 | 0.4° | 0.2° |
| C05 | C06 | N08 | H41 | 118.8° | 28.9° |
| C10 | C15 | C16 | H2 | 120.3° | 119.9° |
| C10 | C15 | C16 | H3 | 120.2° | 120.0° |
| C15 | C10 | C09 | H1 | 119.5° | 119.9° |
| C15 | C10 | C09 | O45 | 94.6° | 72.0° |
| C10 | C15 | C16 | C17 | 164.1° | 147.5° |
| C10 | C15 | H2 | H3 | 119.3° | 120.0° |
| C10 | C15 | C16 | H18 | 44.3° | 27.5° |
| C10 | C15 | C16 | H19 | 76.1° | 92.5° |
| C15 | C10 | N11 | H42 | 16.6° | 25.0° |
| C16 | C15 | C10 | C09 | 64.1° | 69.3° |
| C15 | C16 | C17 | H18 | 119.8° | 119.9° |
| C15 | C16 | C17 | H19 | 119.8° | 119.9° |
| C15 | C16 | C17 | C18 | 176.0° | 117.8° |
| C16 | C15 | C10 | H1 | 55.3° | 170.7° |
| C16 | C15 | H2 | H3 | 119.3° | 120.1° |
| C15 | C16 | C17 | H4 | 56.2° | 2.2° |
| C15 | C16 | C17 | H5 | 64.1° | 122.2° |
| C15 | C16 | H18 | H19 | 120.6° | 120.0° |
| C05 | N04 | C03 | H40 | 180.0° | 179.9° |
| C05 | N04 | C03 | C02 | 103.5° | 155.5° |
| C05 | N04 | C03 | H12 | 136.8° | 84.8° |
| C05 | N04 | C03 | H13 | 16.2° | 35.6° |
| N04 | C05 | C06 | H14 | 70.0° | 100.7° |
| C03 | N04 | C05 | O46 | 0.4° | 0.0° |
| N04 | C03 | C02 | H12 | 119.7° | 119.8° |
| N04 | C03 | C02 | H13 | 119.7° | 119.8° |
| N04 | C03 | C02 | C01 | 118.5° | 102.3° |
| N04 | C03 | C02 | C42 | 60.9° | 77.9° |
| N04 | C03 | H12 | H13 | 120.9° | 120.3° |
| C09 | C10 | C15 | H2 | 56.1° | 170.7° |
| C09 | C10 | C15 | H3 | 175.6° | 50.7° |
| C10 | C09 | N08 | H41 | 0.1° | 0.0° |
| C09 | C10 | N11 | H42 | 107.6° | 95.0° |
| O46 | C05 | C06 | H14 | 110.0° | 79.2° |
| O46 | C05 | N04 | H40 | 179.6° | 179.9° |
| O45 | C09 | C10 | H1 | 24.9° | 168.1° |
| O45 | C09 | N08 | H41 | 179.8° | 179.9° |
| C16 | C17 | C18 | H4 | 119.9° | 120.0° |
| C16 | C17 | C18 | H5 | 119.9° | 120.0° |
| C16 | C17 | C18 | N19 | 67.8° | 170.0° |
| C17 | C16 | C15 | H2 | 75.6° | 92.6° |
| C17 | C16 | C15 | H3 | 43.9° | 27.5° |
| C16 | C17 | H4 | H5 | 120.3° | 120.0° |
| C17 | C16 | H18 | H19 | 120.6° | 120.1° |
| C16 | C17 | C18 | H20 | 52.1° | 70.3° |
| C16 | C17 | C18 | H21 | 172.3° | 50.3° |
| C17 | C18 | N19 | H20 | 119.9° | 119.8° |
| C17 | C18 | N19 | H21 | 119.9° | 119.8° |
| C17 | C18 | N19 | C20 | 105.6° | 25.9° |
| C18 | C17 | H4 | H5 | 120.3° | 120.0° |
| C18 | C17 | C16 | H18 | 64.2° | 122.3° |
| C18 | C17 | C16 | H19 | 56.2° | 2.1° |
| C17 | C18 | H20 | H21 | 120.3° | 120.5° |
| C17 | C18 | N19 | H46 | 74.4° | 154.1° |
| C03 | C02 | C01 | C42 | 179.3° | 179.9° |
| C03 | C02 | C01 | C44 | 179.8° | 180.0° |
| C03 | C02 | C42 | C41 | 179.8° | 179.9° |
| C03 | C02 | C01 | H11 | 0.2° | 0.1° |
| C02 | C03 | H12 | H13 | 120.9° | 120.3° |
| C03 | C02 | C42 | H37 | 0.2° | 0.1° |
| C02 | C03 | N04 | H40 | 76.5° | 24.4° |
| C02 | C01 | C44 | H11 | 180.0° | 179.9° |
| C02 | C01 | C44 | C43 | 0.2° | 0.1° |
| C01 | C02 | C42 | C41 | 0.5° | 0.0° |
| C01 | C02 | C03 | H12 | 1.2° | 17.5° |
| C01 | C02 | C03 | H13 | 121.9° | 137.9° |
| C01 | C02 | C42 | H37 | 179.5° | 180.0° |
| C02 | C01 | C44 | H39 | 179.8° | 180.0° |
| C44 | C01 | C02 | C42 | 0.4° | 0.1° |
| C01 | C44 | C43 | H39 | 180.0° | 180.0° |
| C01 | C44 | C43 | C41 | 0.0° | 0.1° |
| C01 | C44 | C43 | H38 | 180.0° | 180.0° |
| C02 | C42 | C41 | H37 | 180.0° | 180.0° |
| C02 | C42 | C41 | C43 | 0.3° | 0.1° |
| C02 | C42 | C41 | C40 | 179.9° | 180.0° |
| C42 | C02 | C01 | H11 | 179.6° | 180.0° |
| C42 | C02 | C03 | H12 | 179.4° | 162.4° |
| C42 | C02 | C03 | H13 | 58.8° | 41.9° |
| C18 | N19 | C20 | H46 | 180.0° | 180.0° |
| C18 | N19 | C20 | O21 | 0.1° | 0.0° |
| C18 | N19 | C20 | C22 | 179.8° | 179.9° |
| N19 | C18 | C17 | H4 | 172.3° | 50.0° |
| N19 | C18 | C17 | H5 | 52.1° | 70.0° |
| N19 | C18 | H20 | H21 | 120.4° | 120.4° |
| C44 | C43 | C41 | C42 | 0.1° | 0.1° |
| C44 | C43 | C41 | H38 | 180.0° | 179.9° |
| C44 | C43 | C41 | C40 | 179.9° | 179.9° |
| C43 | C44 | C01 | H11 | 179.8° | 179.9° |
| C42 | C41 | C43 | C40 | 179.8° | 179.9° |
| C42 | C41 | C40 | C38 | 114.0° | 88.1° |
| C42 | C41 | C40 | H35 | 126.0° | 152.0° |
| C42 | C41 | C40 | H36 | 6.1° | 32.0° |
| C42 | C41 | C43 | H38 | 179.9° | 179.9° |
| O39 | C38 | C40 | C41 | 27.7° | 18.7° |
| O39 | C38 | C40 | N37 | 180.0° | 179.9° |
| O39 | C38 | N37 | C31 | 0.2° | 0.1° |
| O39 | C38 | C40 | H35 | 147.8° | 101.3° |
| O39 | C38 | C40 | H36 | 92.4° | 138.7° |
| O39 | C38 | N37 | H54 | 179.8° | 179.9° |
| N19 | C20 | O21 | C22 | 179.9° | 180.0° |
| N19 | C20 | C22 | N28 | 100.3° | 171.4° |
| N19 | C20 | C22 | C23 | 134.8° | 51.7° |
| N19 | C20 | C22 | H6 | 17.5° | 68.6° |
| C20 | N19 | C18 | H20 | 14.2° | 93.9° |
| C20 | N19 | C18 | H21 | 134.5° | 145.7° |
| C43 | C41 | C40 | C38 | 65.8° | 91.9° |
| C43 | C41 | C40 | H35 | 54.2° | 28.1° |
| C43 | C41 | C40 | H36 | 174.1° | 148.1° |
| C43 | C41 | C42 | H37 | 179.7° | 179.9° |
| C41 | C43 | C44 | H39 | 180.0° | 179.9° |
| C41 | C40 | C38 | H35 | 120.1° | 120.0° |
| C41 | C40 | C38 | H36 | 120.1° | 120.0° |
| C41 | C40 | C38 | N37 | 152.3° | 161.4° |
| C41 | C40 | H35 | H36 | 119.9° | 120.0° |
| C40 | C41 | C42 | H37 | 0.1° | 0.0° |
| C40 | C41 | C43 | H38 | 0.1° | 0.0° |
| O21 | C20 | C22 | N28 | 79.6° | 8.6° |
| O21 | C20 | C22 | C23 | 45.3° | 128.4° |
| O21 | C20 | C22 | H6 | 162.6° | 111.3° |
| O21 | C20 | N19 | H46 | 179.9° | 180.0° |
| C20 | C22 | N28 | C29 | 100.3° | 87.9° |
| C20 | C22 | N28 | C23 | 127.3° | 119.7° |
| C20 | C22 | N28 | H6 | 117.2° | 119.9° |
| C20 | C22 | C23 | H6 | 117.4° | 120.3° |
| C20 | C22 | C23 | C24 | 171.3° | 175.0° |
| C20 | C22 | C23 | H22 | 51.5° | 65.0° |
| C20 | C22 | C23 | H23 | 68.9° | 55.1° |
| C22 | C20 | N19 | H46 | 0.2° | 0.0° |
| C20 | C22 | N28 | H50 | 79.7° | 92.1° |
| C40 | C38 | N37 | C31 | 179.8° | 179.9° |
| C38 | C40 | H35 | H36 | 119.8° | 120.0° |
| C40 | C38 | N37 | H54 | 0.2° | 0.2° |
| C38 | N37 | C31 | C29 | 101.7° | 128.2° |
| C38 | N37 | C31 | H54 | 180.0° | 180.0° |
| C38 | N37 | C31 | C32 | 141.3° | 8.4° |
| C38 | N37 | C31 | H26 | 20.2° | 112.1° |
| N37 | C38 | C40 | H35 | 32.2° | 78.6° |
| N37 | C38 | C40 | H36 | 87.6° | 41.4° |
| O30 | C29 | C31 | N28 | 178.9° | 180.0° |
| O30 | C29 | C31 | N37 | 176.4° | 1.3° |
| O30 | C29 | C31 | C32 | 65.7° | 121.0° |
| O30 | C29 | N28 | C22 | 0.1° | 0.2° |
| O30 | C29 | C31 | H26 | 53.9° | 118.5° |
| O30 | C29 | N28 | H50 | 179.9° | 179.8° |
| C29 | C31 | N37 | C32 | 117.0° | 119.7° |
| C29 | C31 | N37 | H26 | 121.9° | 119.8° |
| C29 | C31 | C32 | H26 | 119.6° | 120.5° |
| C31 | C29 | N28 | C22 | 178.7° | 179.8° |
| C29 | C31 | C32 | C33 | 171.4° | 55.1° |
| C29 | C31 | C32 | H27 | 51.0° | 175.2° |
| C29 | C31 | C32 | H28 | 68.2° | 64.8° |
| C31 | C29 | N28 | H50 | 1.3° | 0.2° |
| C29 | C31 | N37 | H54 | 78.3° | 51.8° |
| N28 | C29 | C31 | N37 | 4.7° | 178.8° |
| N28 | C29 | C31 | C32 | 113.2° | 59.1° |
| C29 | N28 | C22 | H50 | 180.0° | 180.0° |
| C29 | N28 | C22 | C23 | 132.4° | 152.3° |
| C29 | N28 | C22 | H6 | 16.9° | 32.0° |
| N28 | C29 | C31 | H26 | 127.3° | 61.5° |
| N37 | C31 | C32 | H26 | 121.8° | 120.4° |
| N37 | C31 | C32 | C33 | 52.8° | 174.2° |
| N37 | C31 | C32 | H27 | 67.7° | 65.7° |
| N37 | C31 | C32 | H28 | 173.2° | 54.3° |
| C31 | C32 | C33 | H27 | 120.4° | 120.1° |
| C31 | C32 | C33 | H28 | 120.4° | 119.9° |
| C31 | C32 | C33 | C34 | 170.8° | 173.5° |
| C31 | C32 | H27 | H28 | 118.6° | 120.0° |
| C31 | C32 | C33 | H29 | 69.5° | 66.4° |
| C31 | C32 | C33 | H30 | 51.1° | 53.6° |
| C32 | C31 | N37 | H54 | 38.7° | 171.5° |
| N28 | C22 | C23 | H6 | 116.1° | 120.4° |
| N28 | C22 | C23 | C24 | 44.8° | 65.7° |
| N28 | C22 | C23 | H22 | 75.0° | 54.3° |
| N28 | C22 | C23 | H23 | 164.5° | 174.4° |
| C22 | C23 | C24 | H22 | 119.8° | 120.0° |
| C22 | C23 | C24 | H23 | 119.8° | 119.9° |
| C22 | C23 | C24 | C25 | 89.4° | 180.0° |
| C22 | C23 | C24 | H7 | 30.5° | 59.9° |
| C22 | C23 | C24 | H8 | 150.6° | 60.0° |
| C22 | C23 | H22 | H23 | 120.6° | 120.0° |
| C23 | C22 | N28 | H50 | 47.6° | 27.7° |
| C32 | C33 | C34 | H29 | 119.7° | 120.0° |
| C32 | C33 | C34 | H30 | 119.7° | 119.9° |
| C32 | C33 | C34 | C35 | 166.0° | 180.0° |
| C33 | C32 | C31 | H26 | 69.0° | 65.3° |
| C33 | C32 | H27 | H28 | 118.6° | 119.9° |
| C32 | C33 | H29 | H30 | 120.9° | 119.9° |
| C32 | C33 | C34 | H31 | 73.9° | 60.0° |
| C32 | C33 | C34 | H32 | 45.8° | 60.1° |
| C33 | C34 | C35 | H31 | 120.1° | 120.0° |
| C33 | C34 | C35 | H32 | 120.1° | 119.9° |
| C33 | C34 | C35 | N36 | 157.5° | 180.0° |
| C34 | C33 | C32 | H27 | 50.4° | 53.4° |
| C34 | C33 | C32 | H28 | 68.7° | 66.5° |
| C34 | C33 | H29 | H30 | 120.8° | 120.0° |
| C33 | C34 | H31 | H32 | 119.7° | 120.0° |
| C33 | C34 | C35 | H33 | 82.6° | 60.0° |
| C33 | C34 | C35 | H34 | 37.5° | 60.0° |
| C23 | C24 | C25 | H7 | 120.0° | 120.1° |
| C23 | C24 | C25 | H8 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 169.1° | 180.0° |
| C24 | C23 | C22 | H6 | 71.3° | 54.7° |
| C23 | C24 | H7 | H8 | 120.1° | 119.9° |
| C24 | C23 | H22 | H23 | 120.7° | 120.0° |
| C23 | C24 | C25 | H24 | 70.9° | 60.0° |
| C23 | C24 | C25 | H25 | 49.2° | 60.0° |
| C34 | C35 | N36 | H33 | 119.9° | 119.9° |
| C34 | C35 | N36 | H34 | 120.0° | 120.0° |
| C35 | C34 | C33 | H29 | 46.3° | 60.0° |
| C35 | C34 | C33 | H30 | 74.3° | 60.1° |
| C35 | C34 | H31 | H32 | 119.7° | 120.0° |
| C34 | C35 | H33 | H34 | 120.2° | 120.0° |
| C34 | C35 | N36 | H51 | 180.0° | 56.1° |
| C34 | C35 | N36 | H52 | 60.0° | 180.0° |
| C24 | C25 | C26 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25 | 119.9° | 120.0° |
| C24 | C25 | C26 | N27 | 174.1° | 180.0° |
| C25 | C24 | H7 | H8 | 120.1° | 120.0° |
| C24 | C25 | C26 | H9 | 65.8° | 60.0° |
| C24 | C25 | C26 | H10 | 54.0° | 60.0° |
| C25 | C24 | C23 | H22 | 150.8° | 60.0° |
| C25 | C24 | C23 | H23 | 30.4° | 60.1° |
| C24 | C25 | H24 | H25 | 120.2° | 120.0° |
| N36 | C35 | C34 | H31 | 37.4° | 60.0° |
| N36 | C35 | C34 | H32 | 82.4° | 60.0° |
| N36 | C35 | H33 | H34 | 120.1° | 120.1° |
| C35 | N36 | H51 | H52 | 120.0° | 123.9° |
| C25 | C26 | N27 | H9 | 120.1° | 120.0° |
| C25 | C26 | N27 | H10 | 120.1° | 120.0° |
| C26 | C25 | C24 | H7 | 49.2° | 60.0° |
| C26 | C25 | C24 | H8 | 70.9° | 60.0° |
| C25 | C26 | H9 | H10 | 119.7° | 119.9° |
| C26 | C25 | H24 | H25 | 120.2° | 120.0° |
| C25 | C26 | N27 | H47 | 180.0° | 180.0° |
| C25 | C26 | N27 | H48 | 60.0° | 56.1° |
| N27 | C26 | H9 | H10 | 119.7° | 120.0° |
| N27 | C26 | C25 | H24 | 54.1° | 60.0° |
| N27 | C26 | C25 | H25 | 66.0° | 60.0° |
| C26 | N27 | H47 | H48 | 120.0° | 123.9° |
| H1 | C10 | C15 | H2 | 175.6° | 50.8° |
| H1 | C10 | C15 | H3 | 64.9° | 69.3° |
| H1 | C10 | N11 | H42 | 133.6° | 145.0° |
| H2 | C15 | C16 | H18 | 164.6° | 147.4° |
| H2 | C15 | C16 | H19 | 44.2° | 27.4° |
| H3 | C15 | C16 | H18 | 75.9° | 92.5° |
| H3 | C15 | C16 | H19 | 163.7° | 147.4° |
| H4 | C17 | C16 | H18 | 175.9° | 117.7° |
| H4 | C17 | C16 | H19 | 63.6° | 122.1° |
| H4 | C17 | C18 | H20 | 67.8° | 169.7° |
| H4 | C17 | C18 | H21 | 52.4° | 69.7° |
| H5 | C17 | C16 | H18 | 55.7° | 2.3° |
| H5 | C17 | C16 | H19 | 176.2° | 117.9° |
| H5 | C17 | C18 | H20 | 172.0° | 49.7° |
| H5 | C17 | C18 | H21 | 67.7° | 170.3° |
| H6 | C22 | C23 | H22 | 168.9° | 174.7° |
| H6 | C22 | C23 | H23 | 48.5° | 65.2° |
| H6 | C22 | N28 | H50 | 163.1° | 148.0° |
| H7 | C24 | C23 | H22 | 89.2° | 180.0° |
| H7 | C24 | C23 | H23 | 150.3° | 60.0° |
| H7 | C24 | C25 | H24 | 169.1° | 180.0° |
| H7 | C24 | C25 | H25 | 70.7° | 60.1° |
| H8 | C24 | C23 | H22 | 30.8° | 60.0° |
| H8 | C24 | C23 | H23 | 89.6° | 179.9° |
| H8 | C24 | C25 | H24 | 49.0° | 60.0° |
| H8 | C24 | C25 | H25 | 169.2° | 180.0° |
| H9 | C26 | C25 | H24 | 174.3° | 180.0° |
| H9 | C26 | C25 | H25 | 54.1° | 60.0° |
| H9 | C26 | N27 | H47 | 59.9° | 60.0° |
| H9 | C26 | N27 | H48 | 179.9° | 176.1° |
| H10 | C26 | C25 | H24 | 65.9° | 60.0° |
| H10 | C26 | C25 | H25 | 173.9° | 180.0° |
| H10 | C26 | N27 | H47 | 59.9° | 59.9° |
| H10 | C26 | N27 | H48 | 60.1° | 63.9° |
| H11 | C01 | C44 | H39 | 0.2° | 0.1° |
| H12 | C03 | N04 | H40 | 43.2° | 95.4° |
| H13 | C03 | N04 | H40 | 163.8° | 144.2° |
| H14 | C06 | C07 | H15 | 63.0° | 77.8° |
| H14 | C06 | C07 | H16 | 57.0° | 42.1° |
| H14 | C06 | C07 | H17 | 177.0° | 162.2° |
| H14 | C06 | N08 | H41 | 3.2° | 91.0° |
| H15 | C07 | H16 | H17 | 120.0° | 119.9° |
| H20 | C18 | N19 | H46 | 165.8° | 86.2° |
| H21 | C18 | N19 | H46 | 45.5° | 34.3° |
| H26 | C31 | C32 | H27 | 170.6° | 54.7° |
| H26 | C31 | C32 | H28 | 51.4° | 174.7° |
| H26 | C31 | N37 | H54 | 159.8° | 68.0° |
| H27 | C32 | C33 | H29 | 170.1° | 173.5° |
| H27 | C32 | C33 | H30 | 69.3° | 66.5° |
| H28 | C32 | C33 | H29 | 51.0° | 53.5° |
| H28 | C32 | C33 | H30 | 171.6° | 173.5° |
| H29 | C33 | C34 | H31 | 166.4° | 180.0° |
| H29 | C33 | C34 | H32 | 73.9° | 59.9° |
| H30 | C33 | C34 | H31 | 45.8° | 59.9° |
| H30 | C33 | C34 | H32 | 165.6° | 180.0° |
| H31 | C34 | C35 | H33 | 157.3° | 180.0° |
| H31 | C34 | C35 | H34 | 82.6° | 60.0° |
| H32 | C34 | C35 | H33 | 37.6° | 59.9° |
| H32 | C34 | C35 | H34 | 157.7° | 180.0° |
| H33 | C35 | N36 | H51 | 60.1° | 63.9° |
| H33 | C35 | N36 | H52 | 179.9° | 60.1° |
| H34 | C35 | N36 | H51 | 60.0° | 176.1° |
| H34 | C35 | N36 | H52 | 59.9° | 60.0° |
| H38 | C43 | C44 | H39 | 0.0° | 0.0° |
