DW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C17 | doub | 1.21Å | 1.17Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | C14 | sing | 1.53Å | 1.51Å | |
| C17 | N18 | sing | 1.37Å | 1.44Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| N18 | C19 | sing | 1.48Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| N13 | C12 | sing | 1.36Å | 1.44Å | |
| C21 | N30 | sing | 1.46Å | 1.43Å | |
| O25 | C12 | doub | 1.21Å | 1.19Å | |
| C12 | C04 | sing | 1.51Å | 1.52Å | |
| N30 | C29 | sing | 1.35Å | 1.35Å | Aromatic |
| N30 | N31 | sing | 1.29Å | 1.30Å | Aromatic |
| C29 | C28 | doub | 1.35Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | N03 | sing | 1.48Å | 1.44Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| N31 | N32 | doub | 1.29Å | 1.33Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C02 | N03 | sing | 1.37Å | 1.42Å | |
| C02 | C26 | sing | 1.51Å | 1.53Å | |
| C28 | N32 | sing | 1.34Å | 1.32Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C06 | C11 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C26 | N33 | sing | 1.47Å | 1.45Å | |
| N33 | C34 | sing | 1.35Å | 1.44Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C34 | O35 | sing | 1.35Å | 1.38Å | |
| C34 | O43 | doub | 1.22Å | 1.19Å | |
| O35 | C36 | sing | 1.45Å | 1.41Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| N03 | H20 | sing | 0.97Å | 1.00Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C09 | H30 | sing | 1.09Å | 1.10Å | |
| N13 | H31 | sing | 0.97Å | 1.00Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| O24 | H35 | sing | 0.97Å | 0.95Å | |
| N33 | H36 | sing | 0.97Å | 1.00Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.08Å | 1.08Å | |
| C39 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C17 | N18 | 117.5° | 120.7° |
| O22 | C17 | C16 | 121.9° | 120.6° |
| O24 | C23 | C14 | 106.4° | 109.5° |
| O24 | C23 | H17 | 110.2° | 109.5° |
| O24 | C23 | H18 | 110.2° | 109.4° |
| C23 | O24 | H35 | 109.5° | 114.0° |
| C23 | C14 | C15 | 111.1° | 109.7° |
| C23 | C14 | N13 | 104.2° | 109.6° |
| C23 | C14 | H3 | 110.2° | 109.6° |
| C14 | C23 | H17 | 110.3° | 109.5° |
| C14 | C23 | H18 | 110.3° | 109.5° |
| N18 | C17 | C16 | 120.6° | 118.7° |
| C17 | N18 | C19 | 121.5° | 114.8° |
| C17 | N18 | H34 | 119.3° | 122.6° |
| C17 | C16 | C15 | 114.6° | 109.5° |
| C17 | C16 | H12 | 108.2° | 109.4° |
| C17 | C16 | H13 | 108.2° | 109.5° |
| N18 | C19 | C20 | 108.5° | 108.5° |
| N18 | C19 | H4 | 109.7° | 109.6° |
| N18 | C19 | H5 | 109.7° | 109.6° |
| C19 | N18 | H34 | 119.3° | 122.6° |
| C16 | C15 | C14 | 110.4° | 109.7° |
| C15 | C16 | H12 | 108.1° | 109.5° |
| C15 | C16 | H13 | 108.2° | 109.4° |
| C16 | C15 | H32 | 109.2° | 109.5° |
| C16 | C15 | H33 | 109.2° | 109.5° |
| C15 | C14 | N13 | 110.2° | 108.8° |
| C15 | C14 | H3 | 110.0° | 109.6° |
| C14 | C15 | H32 | 109.2° | 109.4° |
| C14 | C15 | H33 | 109.2° | 109.3° |
| C14 | N13 | C12 | 123.5° | 116.2° |
| N13 | C14 | H3 | 111.0° | 109.6° |
| C14 | N13 | H31 | 118.2° | 121.9° |
| C19 | C20 | C21 | 104.8° | 109.5° |
| C20 | C19 | H4 | 109.7° | 109.6° |
| C20 | C19 | H5 | 109.7° | 109.6° |
| C19 | C20 | H8 | 110.6° | 109.5° |
| C19 | C20 | H9 | 110.6° | 109.5° |
| C20 | C21 | N30 | 106.7° | 109.5° |
| C20 | C21 | H6 | 110.2° | 109.5° |
| C20 | C21 | H7 | 110.2° | 109.5° |
| C21 | C20 | H8 | 110.6° | 109.5° |
| C21 | C20 | H9 | 110.6° | 109.5° |
| N13 | C12 | O25 | 122.7° | 120.5° |
| N13 | C12 | C04 | 115.2° | 119.0° |
| C12 | N13 | H31 | 118.3° | 121.9° |
| C21 | N30 | C29 | 130.3° | 125.8° |
| C21 | N30 | N31 | 124.3° | 125.9° |
| N30 | C21 | H6 | 110.2° | 109.4° |
| N30 | C21 | H7 | 110.2° | 109.5° |
| O25 | C12 | C04 | 122.1° | 120.5° |
| C12 | C04 | C05 | 110.6° | 109.7° |
| C12 | C04 | N03 | 112.2° | 108.3° |
| C12 | C04 | H21 | 109.2° | 109.8° |
| C29 | N30 | N31 | 105.5° | 108.3° |
| N30 | C29 | C28 | 110.3° | 106.2° |
| N30 | C29 | H14 | 124.9° | 126.9° |
| N30 | N31 | N32 | 110.7° | 110.2° |
| C29 | C28 | N32 | 101.5° | 106.5° |
| C29 | C28 | C27 | 132.8° | 126.8° |
| C28 | C29 | H14 | 124.8° | 126.9° |
| C05 | C04 | N03 | 105.2° | 109.7° |
| C04 | C05 | C06 | 113.5° | 109.5° |
| C05 | C04 | H21 | 109.3° | 109.7° |
| C04 | C05 | H22 | 108.5° | 109.4° |
| C04 | C05 | H23 | 108.5° | 109.4° |
| C04 | N03 | C02 | 120.7° | 114.8° |
| C04 | N03 | H20 | 119.7° | 122.6° |
| N03 | C04 | H21 | 110.3° | 109.7° |
| O01 | C02 | N03 | 123.0° | 120.7° |
| O01 | C02 | C26 | 122.1° | 120.7° |
| N31 | N32 | C28 | 112.1° | 108.9° |
| C05 | C06 | C07 | 110.3° | 109.5° |
| C05 | C06 | C11 | 107.5° | 109.5° |
| C06 | C05 | H22 | 108.5° | 109.5° |
| C06 | C05 | H23 | 108.5° | 109.5° |
| C05 | C06 | H24 | 108.7° | 109.5° |
| N03 | C02 | C26 | 114.9° | 118.6° |
| C02 | N03 | H20 | 119.7° | 122.6° |
| C02 | C26 | C27 | 106.7° | 109.5° |
| C02 | C26 | N33 | 110.7° | 109.5° |
| C02 | C26 | H19 | 108.4° | 109.5° |
| N32 | C28 | C27 | 125.7° | 126.8° |
| C28 | C27 | C26 | 108.8° | 109.6° |
| C28 | C27 | H15 | 109.6° | 109.4° |
| C28 | C27 | H16 | 109.6° | 109.5° |
| C06 | C07 | C08 | 111.7° | 109.5° |
| C07 | C06 | C11 | 113.0° | 109.5° |
| C07 | C06 | H24 | 108.6° | 109.4° |
| C06 | C07 | H25 | 108.9° | 109.4° |
| C06 | C07 | H26 | 108.9° | 109.5° |
| C07 | C08 | C09 | 110.0° | 109.5° |
| C08 | C07 | H25 | 108.9° | 109.5° |
| C08 | C07 | H26 | 108.9° | 109.5° |
| C07 | C08 | H27 | 109.4° | 109.5° |
| C07 | C08 | H28 | 109.3° | 109.5° |
| C06 | C11 | C10 | 113.3° | 109.5° |
| C06 | C11 | H1 | 108.5° | 109.5° |
| C06 | C11 | H2 | 108.5° | 109.5° |
| C11 | C06 | H24 | 108.7° | 109.5° |
| C27 | C26 | N33 | 112.8° | 109.4° |
| C26 | C27 | H15 | 109.6° | 109.4° |
| C26 | C27 | H16 | 109.7° | 109.4° |
| C27 | C26 | H19 | 108.7° | 109.5° |
| C11 | C10 | C09 | 113.1° | 109.4° |
| C10 | C11 | H1 | 108.5° | 109.4° |
| C10 | C11 | H2 | 108.5° | 109.4° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.5° |
| C26 | N33 | C34 | 115.4° | 120.0° |
| N33 | C26 | H19 | 109.4° | 109.4° |
| C26 | N33 | H36 | 122.3° | 120.0° |
| N33 | C34 | O35 | 117.3° | 120.0° |
| N33 | C34 | O43 | 119.4° | 120.0° |
| C34 | N33 | H36 | 122.3° | 120.0° |
| C08 | C09 | C10 | 111.0° | 109.5° |
| C09 | C08 | H27 | 109.3° | 109.5° |
| C09 | C08 | H28 | 109.3° | 109.5° |
| C08 | C09 | H29 | 109.1° | 109.5° |
| C08 | C09 | H30 | 109.1° | 109.5° |
| C09 | C10 | H10 | 108.6° | 109.5° |
| C09 | C10 | H11 | 108.6° | 109.5° |
| C10 | C09 | H29 | 109.1° | 109.5° |
| C10 | C09 | H30 | 109.1° | 109.5° |
| O35 | C34 | O43 | 123.3° | 120.0° |
| C34 | O35 | C36 | 115.1° | 117.0° |
| O35 | C36 | C37 | 112.0° | 109.5° |
| O35 | C36 | H37 | 108.8° | 109.4° |
| O35 | C36 | H38 | 108.8° | 109.5° |
| C39 | C38 | C37 | 119.6° | 120.0° |
| C38 | C39 | C40 | 120.7° | 120.0° |
| C39 | C38 | H39 | 120.2° | 120.0° |
| C38 | C39 | H40 | 119.6° | 120.0° |
| C38 | C37 | C36 | 120.8° | 120.0° |
| C38 | C37 | C42 | 119.4° | 119.9° |
| C37 | C38 | H39 | 120.2° | 120.0° |
| C39 | C40 | C41 | 119.7° | 120.0° |
| C40 | C39 | H40 | 119.6° | 120.0° |
| C39 | C40 | H41 | 120.1° | 120.0° |
| C36 | C37 | C42 | 119.8° | 120.0° |
| C37 | C36 | H37 | 108.8° | 109.5° |
| C37 | C36 | H38 | 108.8° | 109.5° |
| C37 | C42 | C41 | 120.6° | 120.0° |
| C37 | C42 | H43 | 119.7° | 120.0° |
| C40 | C41 | C42 | 119.8° | 120.0° |
| C41 | C40 | H41 | 120.1° | 120.0° |
| C40 | C41 | H42 | 120.1° | 120.1° |
| C42 | C41 | H42 | 120.1° | 120.0° |
| C41 | C42 | H43 | 119.7° | 120.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.9° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H22 | C05 | H23 | 109.4° | 109.5° |
| H25 | C07 | H26 | 109.5° | 109.4° |
| H27 | C08 | H28 | 109.5° | 109.4° |
| H29 | C09 | H30 | 109.5° | 109.4° |
| H32 | C15 | H33 | 109.5° | 109.4° |
| H37 | C36 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C17 | N18 | C16 | 178.5° | 180.0° |
| O22 | C17 | N18 | C19 | 178.5° | 0.2° |
| O22 | C17 | C16 | C15 | 16.0° | 17.9° |
| O22 | C17 | C16 | H12 | 104.8° | 102.1° |
| O22 | C17 | C16 | H13 | 136.7° | 137.9° |
| O22 | C17 | N18 | H34 | 1.5° | 179.6° |
| O24 | C23 | C14 | H17 | 119.5° | 120.0° |
| O24 | C23 | C14 | H18 | 119.5° | 120.0° |
| O24 | C23 | C14 | C15 | 174.6° | 54.9° |
| O24 | C23 | C14 | N13 | 56.0° | 174.3° |
| O24 | C23 | C14 | H3 | 63.2° | 65.4° |
| O24 | C23 | H17 | H18 | 121.4° | 120.0° |
| C23 | C14 | C15 | C16 | 163.0° | 14.1° |
| C23 | C14 | C15 | N13 | 115.0° | 119.9° |
| C23 | C14 | C15 | H3 | 122.2° | 120.3° |
| C23 | C14 | N13 | H3 | 118.6° | 120.2° |
| C23 | C14 | N13 | C12 | 136.3° | 41.9° |
| C14 | C23 | H17 | H18 | 121.5° | 120.0° |
| C23 | C14 | N13 | H31 | 43.7° | 138.1° |
| C23 | C14 | C15 | H32 | 42.9° | 106.1° |
| C23 | C14 | C15 | H33 | 76.9° | 134.1° |
| C14 | C23 | O24 | H35 | 180.0° | 180.0° |
| C17 | N18 | C19 | H34 | 180.0° | 179.8° |
| N18 | C17 | C16 | C15 | 165.6° | 162.1° |
| C17 | N18 | C19 | C20 | 131.0° | 91.1° |
| C17 | N18 | C19 | H4 | 109.1° | 149.3° |
| C17 | N18 | C19 | H5 | 11.2° | 28.6° |
| N18 | C17 | C16 | H12 | 73.7° | 77.9° |
| N18 | C17 | C16 | H13 | 44.8° | 42.1° |
| C16 | C17 | N18 | C19 | 0.0° | 179.8° |
| C17 | C16 | C15 | H12 | 120.8° | 120.0° |
| C17 | C16 | C15 | H13 | 120.8° | 120.0° |
| C17 | C16 | C15 | C14 | 176.1° | 114.4° |
| C17 | C16 | H12 | H13 | 117.6° | 120.0° |
| C17 | C16 | C15 | H32 | 56.0° | 125.5° |
| C17 | C16 | C15 | H33 | 63.8° | 5.5° |
| C16 | C17 | N18 | H34 | 180.0° | 0.4° |
| N18 | C19 | C20 | H4 | 119.8° | 119.6° |
| N18 | C19 | C20 | H5 | 119.9° | 119.7° |
| N18 | C19 | C20 | C21 | 170.9° | 168.8° |
| N18 | C19 | H4 | H5 | 120.5° | 120.5° |
| N18 | C19 | C20 | H8 | 51.6° | 48.8° |
| N18 | C19 | C20 | H9 | 69.8° | 71.2° |
| C16 | C15 | C14 | H32 | 120.1° | 120.2° |
| C16 | C15 | C14 | H33 | 120.1° | 120.0° |
| C16 | C15 | C14 | N13 | 82.0° | 105.8° |
| C16 | C15 | C14 | H3 | 40.8° | 134.5° |
| C15 | C16 | H12 | H13 | 117.7° | 119.9° |
| C16 | C15 | H32 | H33 | 119.6° | 120.0° |
| C15 | C14 | N13 | H3 | 122.2° | 119.8° |
| C15 | C14 | N13 | C12 | 104.4° | 161.9° |
| C14 | C15 | C16 | H12 | 63.2° | 5.6° |
| C14 | C15 | C16 | H13 | 55.3° | 125.6° |
| C15 | C14 | C23 | H17 | 55.1° | 65.1° |
| C15 | C14 | C23 | H18 | 65.9° | 174.9° |
| C15 | C14 | N13 | H31 | 75.6° | 18.1° |
| C14 | C15 | H32 | H33 | 119.6° | 119.7° |
| C14 | N13 | C12 | H31 | 180.0° | 180.0° |
| C14 | N13 | C12 | O25 | 0.9° | 6.5° |
| C14 | N13 | C12 | C04 | 179.1° | 173.5° |
| N13 | C14 | C23 | H17 | 63.6° | 54.3° |
| N13 | C14 | C23 | H18 | 175.5° | 65.7° |
| N13 | C14 | C15 | H32 | 157.9° | 134.1° |
| N13 | C14 | C15 | H33 | 38.1° | 14.3° |
| C19 | C20 | C21 | H8 | 119.3° | 120.0° |
| C19 | C20 | C21 | H9 | 119.3° | 120.0° |
| C19 | C20 | C21 | N30 | 102.6° | 124.8° |
| C20 | C19 | H4 | H5 | 120.5° | 120.5° |
| C19 | C20 | C21 | H6 | 137.8° | 115.3° |
| C19 | C20 | C21 | H7 | 16.9° | 4.7° |
| C19 | C20 | H8 | H9 | 122.1° | 120.0° |
| C20 | C19 | N18 | H34 | 49.0° | 89.1° |
| C20 | C21 | N30 | H6 | 119.6° | 120.0° |
| C20 | C21 | N30 | H7 | 119.6° | 120.0° |
| C20 | C21 | N30 | C29 | 96.8° | 12.2° |
| C20 | C21 | N30 | N31 | 82.1° | 167.9° |
| C21 | C20 | C19 | H4 | 69.3° | 71.6° |
| C21 | C20 | C19 | H5 | 51.0° | 49.1° |
| C20 | C21 | H6 | H7 | 121.3° | 120.0° |
| C21 | C20 | H8 | H9 | 122.1° | 120.0° |
| N13 | C12 | O25 | C04 | 180.0° | 180.0° |
| N13 | C12 | C04 | C05 | 94.6° | 18.3° |
| N13 | C12 | C04 | N03 | 148.3° | 101.3° |
| C12 | N13 | C14 | H3 | 17.8° | 78.3° |
| N13 | C12 | C04 | H21 | 25.7° | 138.9° |
| C21 | N30 | C29 | N31 | 179.1° | 179.9° |
| C21 | N30 | C29 | C28 | 179.6° | 179.8° |
| C21 | N30 | N31 | N32 | 179.9° | 179.8° |
| N30 | C21 | H6 | H7 | 121.3° | 120.0° |
| N30 | C21 | C20 | H8 | 16.6° | 4.7° |
| N30 | C21 | C20 | H9 | 138.1° | 115.2° |
| C21 | N30 | C29 | H14 | 0.4° | 0.1° |
| O25 | C12 | C04 | C05 | 85.4° | 161.7° |
| O25 | C12 | C04 | N03 | 31.6° | 78.7° |
| O25 | C12 | C04 | H21 | 154.3° | 41.1° |
| O25 | C12 | N13 | H31 | 179.1° | 173.5° |
| C12 | C04 | C05 | N03 | 121.3° | 118.8° |
| C12 | C04 | C05 | H21 | 120.2° | 120.6° |
| C12 | C04 | N03 | H21 | 122.0° | 119.8° |
| C12 | C04 | C05 | C06 | 173.7° | 176.9° |
| C12 | C04 | N03 | C02 | 61.0° | 109.7° |
| C12 | C04 | N03 | H20 | 119.0° | 70.3° |
| C12 | C04 | C05 | H22 | 65.7° | 63.0° |
| C12 | C04 | C05 | H23 | 53.1° | 56.9° |
| C04 | C12 | N13 | H31 | 0.9° | 6.5° |
| N30 | C29 | C28 | H14 | 180.0° | 179.9° |
| C29 | N30 | N31 | N32 | 0.7° | 0.1° |
| N30 | C29 | C28 | N32 | 0.1° | 0.1° |
| N30 | C29 | C28 | C27 | 179.1° | 179.8° |
| C29 | N30 | C21 | H6 | 143.6° | 132.2° |
| C29 | N30 | C21 | H7 | 22.7° | 107.8° |
| N31 | N30 | C29 | C28 | 0.5° | 0.1° |
| N30 | N31 | N32 | C28 | 0.7° | 0.0° |
| N31 | N30 | C21 | H6 | 37.4° | 47.9° |
| N31 | N30 | C21 | H7 | 158.3° | 72.1° |
| N31 | N30 | C29 | H14 | 179.5° | 179.9° |
| C29 | C28 | N32 | N31 | 0.3° | 0.1° |
| C29 | C28 | N32 | C27 | 179.3° | 179.9° |
| C29 | C28 | C27 | C26 | 109.2° | 22.6° |
| C29 | C28 | C27 | H15 | 130.9° | 142.6° |
| C29 | C28 | C27 | H16 | 10.7° | 97.4° |
| C05 | C04 | N03 | H21 | 117.8° | 120.5° |
| C04 | C05 | C06 | H22 | 120.6° | 120.0° |
| C04 | C05 | C06 | H23 | 120.6° | 120.0° |
| C05 | C04 | N03 | C02 | 178.8° | 10.0° |
| C04 | C05 | C06 | C07 | 54.3° | 67.3° |
| C04 | C05 | C06 | C11 | 177.9° | 172.7° |
| C05 | C04 | N03 | H20 | 1.2° | 170.0° |
| C04 | C05 | H22 | H23 | 118.2° | 119.9° |
| C04 | C05 | C06 | H24 | 64.7° | 52.6° |
| C04 | N03 | C02 | O01 | 0.8° | 4.4° |
| N03 | C04 | C05 | C06 | 65.0° | 64.3° |
| C04 | N03 | C02 | H20 | 180.0° | 180.0° |
| C04 | N03 | C02 | C26 | 179.1° | 175.5° |
| N03 | C04 | C05 | H22 | 55.6° | 55.8° |
| N03 | C04 | C05 | H23 | 174.4° | 175.7° |
| O01 | C02 | N03 | C26 | 179.9° | 180.0° |
| O01 | C02 | C26 | C27 | 99.6° | 18.8° |
| O01 | C02 | C26 | N33 | 23.5° | 101.2° |
| O01 | C02 | C26 | H19 | 143.5° | 138.9° |
| O01 | C02 | N03 | H20 | 179.2° | 175.6° |
| N31 | N32 | C28 | C27 | 179.6° | 179.8° |
| C05 | C06 | C07 | C11 | 120.3° | 120.0° |
| C05 | C06 | C07 | H24 | 119.0° | 120.0° |
| C05 | C06 | C07 | C08 | 171.2° | 180.0° |
| C05 | C06 | C11 | H24 | 117.4° | 120.0° |
| C05 | C06 | C11 | C10 | 167.0° | 180.0° |
| C05 | C06 | C11 | H1 | 72.4° | 60.0° |
| C05 | C06 | C11 | H2 | 46.5° | 60.1° |
| C06 | C05 | C04 | H21 | 53.5° | 56.3° |
| C06 | C05 | H22 | H23 | 118.2° | 120.1° |
| C05 | C06 | C07 | H25 | 50.9° | 60.0° |
| C05 | C06 | C07 | H26 | 68.5° | 60.0° |
| N03 | C02 | C26 | C27 | 80.5° | 161.2° |
| N03 | C02 | C26 | N33 | 156.4° | 78.8° |
| N03 | C02 | C26 | H19 | 36.4° | 41.2° |
| C02 | N03 | C04 | H21 | 61.0° | 130.5° |
| C02 | C26 | C27 | C28 | 80.3° | 106.6° |
| C02 | C26 | C27 | N33 | 121.8° | 120.0° |
| C02 | C26 | C27 | H19 | 116.7° | 120.1° |
| C02 | C26 | N33 | H19 | 119.4° | 120.0° |
| C02 | C26 | N33 | C34 | 136.6° | 168.3° |
| C02 | C26 | C27 | H15 | 159.8° | 133.4° |
| C02 | C26 | C27 | H16 | 39.5° | 13.5° |
| C26 | C02 | N03 | H20 | 0.9° | 4.5° |
| C02 | C26 | N33 | H36 | 43.4° | 11.6° |
| N32 | C28 | C27 | C26 | 71.8° | 157.6° |
| N32 | C28 | C29 | H14 | 179.9° | 180.0° |
| N32 | C28 | C27 | H15 | 48.1° | 37.5° |
| N32 | C28 | C27 | H16 | 168.3° | 82.4° |
| C28 | C27 | C26 | H15 | 119.9° | 120.0° |
| C28 | C27 | C26 | H16 | 119.9° | 120.1° |
| C28 | C27 | C26 | N33 | 41.5° | 13.4° |
| C27 | C28 | C29 | H14 | 0.9° | 0.2° |
| C28 | C27 | H15 | H16 | 120.3° | 120.0° |
| C28 | C27 | C26 | H19 | 163.0° | 133.4° |
| C06 | C07 | C08 | H25 | 120.3° | 120.0° |
| C06 | C07 | C08 | H26 | 120.3° | 120.0° |
| C07 | C06 | C11 | H24 | 120.7° | 120.0° |
| C07 | C06 | C11 | C10 | 45.1° | 60.0° |
| C06 | C07 | C08 | C09 | 58.1° | 60.0° |
| C07 | C06 | C11 | H1 | 165.7° | 60.0° |
| C07 | C06 | C11 | H2 | 75.4° | 179.9° |
| C07 | C06 | C05 | H22 | 174.9° | 172.7° |
| C07 | C06 | C05 | H23 | 66.3° | 52.7° |
| C06 | C07 | H25 | H26 | 119.0° | 120.0° |
| C06 | C07 | C08 | H27 | 178.2° | 180.0° |
| C06 | C07 | C08 | H28 | 62.0° | 60.0° |
| C08 | C07 | C06 | C11 | 50.9° | 60.0° |
| C07 | C08 | C09 | H27 | 120.1° | 120.0° |
| C07 | C08 | C09 | H28 | 120.1° | 120.0° |
| C07 | C08 | C09 | C10 | 59.8° | 60.0° |
| C08 | C07 | C06 | H24 | 69.8° | 60.0° |
| C08 | C07 | H25 | H26 | 119.0° | 120.0° |
| C07 | C08 | H27 | H28 | 119.8° | 120.0° |
| C07 | C08 | C09 | H29 | 60.4° | 60.0° |
| C07 | C08 | C09 | H30 | 179.9° | 180.0° |
| C06 | C11 | C10 | H1 | 120.6° | 120.0° |
| C06 | C11 | C10 | H2 | 120.6° | 120.0° |
| C06 | C11 | C10 | C09 | 47.2° | 60.0° |
| C06 | C11 | H1 | H2 | 118.2° | 120.1° |
| C06 | C11 | C10 | H10 | 73.4° | 180.0° |
| C06 | C11 | C10 | H11 | 167.7° | 60.0° |
| C11 | C06 | C05 | H22 | 61.5° | 52.7° |
| C11 | C06 | C05 | H23 | 57.3° | 67.3° |
| C11 | C06 | C07 | H25 | 69.4° | 60.0° |
| C11 | C06 | C07 | H26 | 171.2° | 180.0° |
| C27 | C26 | N33 | H19 | 121.1° | 120.0° |
| C27 | C26 | N33 | C34 | 103.9° | 71.7° |
| C26 | C27 | H15 | H16 | 120.4° | 119.9° |
| C27 | C26 | N33 | H36 | 76.1° | 108.4° |
| C11 | C10 | C09 | C08 | 54.7° | 60.0° |
| C11 | C10 | C09 | H10 | 120.5° | 120.0° |
| C11 | C10 | C09 | H11 | 120.5° | 120.0° |
| C10 | C11 | H1 | H2 | 118.3° | 119.9° |
| C11 | C10 | H10 | H11 | 118.3° | 120.1° |
| C10 | C11 | C06 | H24 | 75.5° | 60.0° |
| C11 | C10 | C09 | H29 | 65.5° | 60.0° |
| C11 | C10 | C09 | H30 | 174.9° | 180.0° |
| C26 | N33 | C34 | H36 | 180.0° | 179.9° |
| C26 | N33 | C34 | O35 | 163.0° | 180.0° |
| C26 | N33 | C34 | O43 | 16.1° | 0.2° |
| N33 | C26 | C27 | H15 | 78.4° | 106.6° |
| N33 | C26 | C27 | H16 | 161.3° | 133.5° |
| N33 | C34 | O35 | O43 | 179.0° | 179.8° |
| N33 | C34 | O35 | C36 | 179.6° | 179.8° |
| C34 | N33 | C26 | H19 | 17.2° | 48.3° |
| C08 | C09 | C10 | H29 | 120.2° | 120.0° |
| C08 | C09 | C10 | H30 | 120.2° | 120.0° |
| C08 | C09 | C10 | H10 | 65.8° | 180.0° |
| C08 | C09 | C10 | H11 | 175.2° | 60.0° |
| C09 | C08 | C07 | H25 | 62.2° | 60.0° |
| C09 | C08 | C07 | H26 | 178.5° | 180.0° |
| C09 | C08 | H27 | H28 | 119.7° | 120.0° |
| C08 | C09 | H29 | H30 | 119.3° | 120.0° |
| C09 | C10 | C11 | H1 | 167.7° | 60.0° |
| C09 | C10 | C11 | H2 | 73.4° | 180.0° |
| C09 | C10 | H10 | H11 | 118.4° | 120.0° |
| C10 | C09 | C08 | H27 | 180.0° | 180.0° |
| C10 | C09 | C08 | H28 | 60.2° | 60.0° |
| C10 | C09 | H29 | H30 | 119.3° | 120.0° |
| C34 | O35 | C36 | C37 | 119.1° | 180.0° |
| O35 | C34 | N33 | H36 | 17.0° | 0.1° |
| C34 | O35 | C36 | H37 | 120.5° | 60.0° |
| C34 | O35 | C36 | H38 | 1.3° | 60.0° |
| O43 | C34 | O35 | C36 | 0.5° | 0.0° |
| O43 | C34 | N33 | H36 | 164.0° | 179.7° |
| O35 | C36 | C37 | C38 | 39.7° | 89.7° |
| O35 | C36 | C37 | H37 | 120.4° | 120.0° |
| O35 | C36 | C37 | H38 | 120.4° | 120.0° |
| O35 | C36 | C37 | C42 | 141.9° | 90.0° |
| O35 | C36 | H37 | H38 | 118.8° | 120.0° |
| C39 | C38 | C37 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 178.9° | 180.0° |
| C39 | C38 | C37 | C42 | 0.5° | 0.3° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C38 | C39 | C40 | H41 | 179.9° | 179.9° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C36 | C42 | 178.4° | 179.7° |
| C38 | C37 | C42 | C41 | 0.8° | 0.5° |
| C38 | C37 | C36 | H37 | 80.7° | 150.3° |
| C38 | C37 | C36 | H38 | 160.0° | 30.3° |
| C37 | C38 | C39 | H40 | 179.8° | 179.9° |
| C38 | C37 | C42 | H43 | 179.2° | 179.7° |
| C39 | C40 | C41 | H41 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.4° | 0.2° |
| C40 | C39 | C38 | H39 | 179.8° | 180.0° |
| C39 | C40 | C41 | H42 | 179.6° | 179.9° |
| C36 | C37 | C42 | C41 | 179.2° | 179.8° |
| C37 | C36 | H37 | H38 | 118.8° | 120.0° |
| C36 | C37 | C38 | H39 | 1.1° | 0.0° |
| C36 | C37 | C42 | H43 | 0.8° | 0.0° |
| C37 | C42 | C41 | C40 | 0.8° | 0.4° |
| C37 | C42 | C41 | H43 | 180.0° | 179.8° |
| C42 | C37 | C36 | H37 | 97.7° | 30.0° |
| C42 | C37 | C36 | H38 | 21.5° | 150.0° |
| C42 | C37 | C38 | H39 | 179.5° | 179.7° |
| C37 | C42 | C41 | H42 | 179.3° | 179.7° |
| C40 | C41 | C42 | H42 | 180.0° | 179.9° |
| C41 | C40 | C39 | H40 | 179.8° | 180.0° |
| C40 | C41 | C42 | H43 | 179.3° | 179.8° |
| C42 | C41 | C40 | H41 | 179.6° | 179.9° |
| H1 | C11 | C10 | H10 | 47.2° | 60.0° |
| H1 | C11 | C10 | H11 | 71.7° | 180.0° |
| H1 | C11 | C06 | H24 | 45.0° | 180.0° |
| H2 | C11 | C10 | H10 | 166.1° | 60.1° |
| H2 | C11 | C10 | H11 | 47.2° | 60.0° |
| H2 | C11 | C06 | H24 | 163.9° | 60.0° |
| H3 | C14 | C23 | H17 | 177.2° | 174.5° |
| H3 | C14 | C23 | H18 | 56.3° | 54.5° |
| H3 | C14 | N13 | H31 | 162.2° | 101.7° |
| H3 | C14 | C15 | H32 | 79.3° | 14.3° |
| H3 | C14 | C15 | H33 | 160.9° | 105.5° |
| H4 | C19 | C20 | H8 | 171.5° | 168.4° |
| H4 | C19 | C20 | H9 | 50.0° | 48.5° |
| H4 | C19 | N18 | H34 | 70.8° | 30.5° |
| H5 | C19 | C20 | H8 | 68.2° | 70.9° |
| H5 | C19 | C20 | H9 | 170.3° | 169.1° |
| H5 | C19 | N18 | H34 | 168.9° | 151.1° |
| H6 | C21 | C20 | H8 | 102.9° | 124.7° |
| H6 | C21 | C20 | H9 | 18.5° | 4.7° |
| H7 | C21 | C20 | H8 | 136.2° | 115.3° |
| H7 | C21 | C20 | H9 | 102.3° | 124.8° |
| H10 | C10 | C09 | H29 | 174.0° | 60.0° |
| H10 | C10 | C09 | H30 | 54.4° | 60.0° |
| H11 | C10 | C09 | H29 | 55.0° | 180.0° |
| H11 | C10 | C09 | H30 | 64.5° | 60.0° |
| H12 | C16 | C15 | H32 | 176.7° | 114.5° |
| H12 | C16 | C15 | H33 | 57.0° | 125.5° |
| H13 | C16 | C15 | H32 | 64.8° | 5.5° |
| H13 | C16 | C15 | H33 | 175.5° | 114.5° |
| H15 | C27 | C26 | H19 | 43.1° | 13.3° |
| H16 | C27 | C26 | H19 | 77.2° | 106.6° |
| H17 | C23 | O24 | H35 | 60.5° | 60.0° |
| H18 | C23 | O24 | H35 | 60.5° | 60.0° |
| H19 | C26 | N33 | H36 | 162.8° | 131.6° |
| H20 | N03 | C04 | H21 | 119.0° | 49.4° |
| H21 | C04 | C05 | H22 | 174.1° | 176.3° |
| H21 | C04 | C05 | H23 | 67.1° | 63.7° |
| H22 | C05 | C06 | H24 | 55.9° | 67.3° |
| H23 | C05 | C06 | H24 | 174.7° | 172.6° |
| H24 | C06 | C07 | H25 | 169.9° | 179.9° |
| H24 | C06 | C07 | H26 | 50.6° | 60.0° |
| H25 | C07 | C08 | H27 | 57.9° | 60.0° |
| H25 | C07 | C08 | H28 | 177.7° | 180.0° |
| H26 | C07 | C08 | H27 | 61.5° | 60.0° |
| H26 | C07 | C08 | H28 | 58.4° | 60.0° |
| H27 | C08 | C09 | H29 | 59.7° | 60.0° |
| H27 | C08 | C09 | H30 | 59.8° | 59.9° |
| H28 | C08 | C09 | H29 | 179.5° | 180.0° |
| H28 | C08 | C09 | H30 | 60.0° | 60.0° |
| H39 | C38 | C39 | H40 | 0.2° | 0.1° |
| H40 | C39 | C40 | H41 | 0.1° | 0.0° |
| H41 | C40 | C41 | H42 | 0.4° | 0.0° |
| H42 | C41 | C42 | H43 | 0.7° | 0.1° |
