UFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C05 | sing | 1.47Å | 1.42Å | |
| N08 | C02 | sing | 1.34Å | 1.49Å | |
| C05 | C06 | sing | 1.54Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.64Å | |
| C06 | S07 | sing | 1.84Å | 1.77Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| C02 | N03 | sing | 1.34Å | 1.50Å | |
| C04 | N03 | sing | 1.47Å | 1.42Å | |
| C04 | C09 | sing | 1.54Å | 1.61Å | |
| S07 | C09 | sing | 1.84Å | 1.67Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.51Å | 1.61Å | |
| C27 | C26 | sing | 1.51Å | 1.57Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C37 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C37 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C38 | C31 | sing | 1.39Å | 1.47Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | sing | 1.51Å | 1.56Å | |
| C35 | C34 | doub | 1.38Å | 1.46Å | Aromatic |
| N30 | C31 | sing | 1.39Å | 1.53Å | |
| N30 | C40 | sing | 1.47Å | 1.55Å | |
| N30 | C28 | sing | 1.38Å | 1.50Å | |
| C31 | C32 | doub | 1.39Å | 1.45Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| C40 | C17 | sing | 1.54Å | 1.38Å | |
| AU1 | C28 | doub | 1.89Å | 2.53Å | |
| C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| N18 | C17 | sing | 1.47Å | 1.59Å | |
| N18 | C19 | sing | 1.39Å | 1.51Å | |
| N18 | C28 | sing | 1.38Å | 1.21Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C34 | C32 | sing | 1.38Å | 1.44Å | Aromatic |
| O41 | C14 | doub | 1.21Å | 1.17Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C22 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | N15 | sing | 1.35Å | 1.43Å | |
| C20 | C21 | sing | 1.51Å | 1.57Å | |
| N15 | C16 | sing | 1.46Å | 1.49Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| N03 | H16 | sing | 0.97Å | 1.00Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| N08 | H21 | sing | 0.97Å | 1.00Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| N15 | H23 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | N08 | C02 | 112.5° | 109.0° |
| N08 | C05 | C06 | 109.2° | 109.4° |
| N08 | C05 | C04 | 102.1° | 104.0° |
| N08 | C05 | H18 | 114.6° | 110.4° |
| C05 | N08 | H21 | 123.8° | 125.5° |
| N08 | C02 | O01 | 127.8° | 123.1° |
| N08 | C02 | N03 | 108.5° | 113.9° |
| C02 | N08 | H21 | 123.8° | 125.5° |
| C06 | C05 | C04 | 106.4° | 112.4° |
| C05 | C06 | S07 | 109.3° | 102.7° |
| C06 | C05 | H18 | 112.7° | 110.2° |
| C05 | C06 | H19 | 109.5° | 110.8° |
| C05 | C06 | H20 | 109.5° | 110.8° |
| C05 | C04 | N03 | 109.9° | 104.0° |
| C05 | C04 | C09 | 103.7° | 112.4° |
| C05 | C04 | H17 | 108.8° | 110.5° |
| C04 | C05 | H18 | 111.1° | 110.3° |
| C06 | S07 | C09 | 91.9° | 94.8° |
| S07 | C06 | H19 | 109.5° | 110.8° |
| S07 | C06 | H20 | 109.5° | 110.8° |
| O01 | C02 | N03 | 123.7° | 123.0° |
| C02 | N03 | C04 | 107.0° | 109.0° |
| C02 | N03 | H16 | 126.5° | 125.5° |
| N03 | C04 | C09 | 113.3° | 109.2° |
| C04 | N03 | H16 | 126.5° | 125.5° |
| N03 | C04 | H17 | 111.8° | 110.3° |
| C04 | C09 | S07 | 107.1° | 102.7° |
| C04 | C09 | C10 | 107.7° | 110.7° |
| C09 | C04 | H17 | 109.1° | 110.3° |
| C04 | C09 | H22 | 108.2° | 110.7° |
| S07 | C09 | C10 | 116.9° | 110.8° |
| S07 | C09 | H22 | 107.5° | 110.8° |
| C09 | C10 | C11 | 110.0° | 109.5° |
| C09 | C10 | H4 | 109.3° | 109.5° |
| C09 | C10 | H5 | 109.3° | 109.5° |
| C10 | C09 | H22 | 109.1° | 110.8° |
| C39 | C38 | C37 | 120.4° | 120.1° |
| C39 | C38 | C31 | 120.2° | 120.0° |
| C38 | C39 | H40 | 109.5° | 109.5° |
| C38 | C39 | H41 | 109.5° | 109.5° |
| C38 | C39 | H42 | 109.5° | 109.5° |
| C27 | C26 | C25 | 120.0° | 120.1° |
| C27 | C26 | C19 | 120.0° | 120.0° |
| C26 | C27 | H28 | 109.5° | 109.4° |
| C26 | C27 | H29 | 109.4° | 109.5° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C10 | C11 | C12 | 112.3° | 109.5° |
| C11 | C10 | H4 | 109.3° | 109.5° |
| C11 | C10 | H5 | 109.4° | 109.4° |
| C10 | C11 | H6 | 108.8° | 109.4° |
| C10 | C11 | H7 | 108.8° | 109.5° |
| C38 | C37 | C35 | 121.9° | 120.1° |
| C37 | C38 | C31 | 119.3° | 119.9° |
| C38 | C37 | H39 | 119.1° | 119.9° |
| C37 | C35 | C36 | 117.3° | 119.9° |
| C37 | C35 | C34 | 118.8° | 120.2° |
| C35 | C37 | H39 | 119.1° | 120.0° |
| C38 | C31 | N30 | 115.4° | 120.1° |
| C38 | C31 | C32 | 119.7° | 119.8° |
| C26 | C25 | C23 | 120.6° | 120.1° |
| C25 | C26 | C19 | 119.9° | 119.9° |
| C26 | C25 | H27 | 119.7° | 120.0° |
| C25 | C23 | C24 | 119.1° | 119.9° |
| C25 | C23 | C22 | 120.0° | 120.2° |
| C23 | C25 | H27 | 119.7° | 119.9° |
| C26 | C19 | N18 | 116.1° | 120.1° |
| C26 | C19 | C20 | 120.7° | 119.8° |
| C11 | C12 | C13 | 109.2° | 109.5° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C12 | C11 | H7 | 108.8° | 109.5° |
| C11 | C12 | H8 | 109.6° | 109.4° |
| C11 | C12 | H9 | 109.5° | 109.5° |
| C36 | C35 | C34 | 123.9° | 119.9° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H37 | 109.5° | 109.5° |
| C35 | C36 | H38 | 109.5° | 109.5° |
| C35 | C34 | C32 | 120.6° | 120.1° |
| C35 | C34 | H35 | 119.7° | 120.0° |
| C31 | N30 | C40 | 134.3° | 125.5° |
| C31 | N30 | C28 | 128.1° | 125.5° |
| N30 | C31 | C32 | 124.9° | 120.1° |
| C40 | N30 | C28 | 89.3° | 109.0° |
| N30 | C40 | C17 | 108.4° | 104.7° |
| N30 | C40 | H43 | 109.7° | 110.3° |
| N30 | C40 | H31 | 109.7° | 110.4° |
| N30 | C28 | AU1 | 101.0° | 123.8° |
| N30 | C28 | N18 | 128.5° | 112.4° |
| C31 | C32 | C34 | 119.8° | 119.9° |
| C31 | C32 | C33 | 121.5° | 120.1° |
| C24 | C23 | C22 | 120.8° | 119.9° |
| C23 | C24 | H24 | 109.5° | 109.4° |
| C23 | C24 | H25 | 109.5° | 109.5° |
| C23 | C24 | H26 | 109.5° | 109.5° |
| C40 | C17 | N18 | 110.9° | 104.9° |
| C40 | C17 | C16 | 108.5° | 110.4° |
| C17 | C40 | H43 | 109.7° | 110.4° |
| C40 | C17 | H15 | 112.7° | 110.4° |
| C17 | C40 | H31 | 109.8° | 110.4° |
| AU1 | C28 | N18 | 113.5° | 123.8° |
| C23 | C22 | C20 | 120.5° | 120.1° |
| C23 | C22 | H14 | 119.8° | 119.9° |
| C17 | N18 | C19 | 136.7° | 125.5° |
| C17 | N18 | C28 | 90.7° | 109.0° |
| N18 | C17 | C16 | 104.6° | 110.4° |
| N18 | C17 | H15 | 109.6° | 110.4° |
| C19 | N18 | C28 | 131.5° | 125.5° |
| N18 | C19 | C20 | 123.1° | 120.1° |
| C17 | C16 | N15 | 108.5° | 109.5° |
| C17 | C16 | H12 | 109.7° | 109.4° |
| C17 | C16 | H13 | 109.7° | 109.5° |
| C16 | C17 | H15 | 110.3° | 110.3° |
| C19 | C20 | C22 | 118.2° | 119.9° |
| C19 | C20 | C21 | 123.6° | 120.0° |
| C12 | C13 | C14 | 115.5° | 109.5° |
| C13 | C12 | H8 | 109.5° | 109.4° |
| C13 | C12 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 107.9° | 109.4° |
| C12 | C13 | H11 | 107.9° | 109.5° |
| C34 | C32 | C33 | 118.8° | 120.1° |
| C32 | C34 | H35 | 119.7° | 119.9° |
| O41 | C14 | C13 | 120.6° | 120.0° |
| O41 | C14 | N15 | 127.2° | 120.0° |
| C32 | C33 | H32 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.4° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C22 | C20 | C21 | 118.2° | 120.0° |
| C20 | C22 | H14 | 119.7° | 120.0° |
| C13 | C14 | N15 | 112.2° | 120.0° |
| C14 | C13 | H10 | 107.9° | 109.5° |
| C14 | C13 | H11 | 108.0° | 109.5° |
| C14 | N15 | C16 | 122.3° | 120.0° |
| C14 | N15 | H23 | 118.8° | 120.0° |
| C20 | C21 | H1 | 109.5° | 109.5° |
| C20 | C21 | H2 | 109.5° | 109.5° |
| C20 | C21 | H3 | 109.5° | 109.5° |
| N15 | C16 | H12 | 109.7° | 109.5° |
| N15 | C16 | H13 | 109.7° | 109.5° |
| C16 | N15 | H23 | 118.9° | 120.0° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.4° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H19 | C06 | H20 | 109.5° | 110.8° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H26 | 109.4° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H32 | C33 | H34 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H36 | C36 | H38 | 109.4° | 109.5° |
| H37 | C36 | H38 | 109.5° | 109.4° |
| H40 | C39 | H41 | 109.4° | 109.4° |
| H40 | C39 | H42 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.4° |
| H43 | C40 | H31 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | N08 | C02 | H21 | 180.0° | 179.7° |
| N08 | C05 | C06 | C04 | 109.5° | 115.0° |
| N08 | C05 | C06 | H18 | 128.5° | 121.5° |
| N08 | C05 | C04 | H18 | 122.6° | 118.3° |
| N08 | C05 | C06 | S07 | 90.1° | 90.4° |
| C05 | N08 | C02 | O01 | 179.4° | 179.9° |
| C05 | N08 | C02 | N03 | 1.9° | 0.4° |
| N08 | C05 | C04 | N03 | 3.0° | 0.2° |
| N08 | C05 | C04 | C09 | 124.4° | 118.2° |
| N08 | C05 | C04 | H17 | 119.6° | 118.1° |
| N08 | C05 | C06 | H19 | 149.9° | 151.3° |
| N08 | C05 | C06 | H20 | 29.8° | 28.0° |
| C02 | N08 | C05 | C06 | 109.5° | 119.9° |
| C02 | N08 | C05 | C04 | 2.9° | 0.4° |
| N08 | C02 | O01 | N03 | 178.5° | 179.7° |
| N08 | C02 | N03 | C04 | 0.2° | 0.3° |
| N08 | C02 | N03 | H16 | 179.8° | 179.7° |
| C02 | N08 | C05 | H18 | 123.1° | 118.6° |
| C06 | C05 | C04 | H18 | 123.1° | 123.4° |
| C05 | C06 | S07 | H19 | 120.0° | 118.3° |
| C05 | C06 | S07 | H20 | 120.0° | 118.3° |
| C06 | C05 | C04 | N03 | 111.3° | 118.0° |
| C06 | C05 | C04 | C09 | 10.0° | 0.0° |
| C05 | C06 | S07 | C09 | 38.7° | 34.7° |
| C06 | C05 | C04 | H17 | 126.0° | 123.6° |
| C05 | C06 | H19 | H20 | 120.1° | 123.3° |
| C06 | C05 | N08 | H21 | 70.5° | 59.8° |
| C04 | C05 | C06 | S07 | 19.3° | 24.6° |
| C05 | C04 | N03 | C02 | 2.0° | 0.0° |
| C05 | C04 | N03 | C09 | 115.4° | 120.2° |
| C05 | C04 | N03 | H17 | 120.8° | 118.5° |
| C05 | C04 | C09 | H17 | 115.8° | 123.8° |
| C05 | C04 | C09 | S07 | 37.7° | 24.6° |
| C05 | C04 | C09 | C10 | 164.2° | 142.9° |
| C05 | C04 | N03 | H16 | 178.0° | 179.9° |
| C04 | C05 | C06 | H19 | 100.6° | 93.7° |
| C04 | C05 | C06 | H20 | 139.3° | 143.0° |
| C04 | C05 | N08 | H21 | 177.1° | 179.9° |
| C05 | C04 | C09 | H22 | 78.0° | 93.7° |
| C06 | S07 | C09 | C04 | 44.5° | 34.7° |
| C06 | S07 | C09 | C10 | 165.4° | 153.0° |
| S07 | C06 | C05 | H18 | 141.4° | 148.1° |
| S07 | C06 | H19 | H20 | 120.1° | 123.4° |
| C06 | S07 | C09 | H22 | 71.6° | 83.6° |
| O01 | C02 | N03 | C04 | 178.5° | 180.0° |
| O01 | C02 | N03 | H16 | 1.5° | 0.0° |
| O01 | C02 | N08 | H21 | 0.6° | 0.2° |
| C02 | N03 | C04 | H16 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 117.4° | 120.1° |
| C02 | N03 | C04 | H17 | 118.8° | 118.5° |
| N03 | C02 | N08 | H21 | 178.1° | 179.9° |
| N03 | C04 | C09 | H17 | 125.2° | 121.3° |
| N03 | C04 | C09 | S07 | 81.3° | 90.3° |
| N03 | C04 | C09 | C10 | 45.2° | 28.1° |
| N03 | C04 | C05 | H18 | 125.6° | 118.5° |
| N03 | C04 | C09 | H22 | 163.0° | 151.4° |
| C04 | C09 | S07 | C10 | 120.9° | 118.3° |
| C04 | C09 | S07 | H22 | 116.1° | 118.3° |
| C04 | C09 | C10 | H22 | 117.2° | 123.3° |
| C04 | C09 | C10 | C11 | 161.8° | 175.0° |
| C04 | C09 | C10 | H4 | 78.1° | 54.9° |
| C04 | C09 | C10 | H5 | 41.7° | 65.1° |
| C09 | C04 | N03 | H16 | 62.6° | 59.9° |
| C09 | C04 | C05 | H18 | 113.0° | 123.5° |
| S07 | C09 | C10 | H22 | 122.2° | 123.4° |
| S07 | C09 | C10 | C11 | 77.6° | 71.7° |
| S07 | C09 | C10 | H4 | 42.4° | 168.3° |
| S07 | C09 | C10 | H5 | 162.2° | 48.3° |
| S07 | C09 | C04 | H17 | 153.4° | 148.4° |
| C09 | S07 | C06 | H19 | 81.2° | 83.6° |
| C09 | S07 | C06 | H20 | 158.7° | 153.0° |
| C09 | C10 | C11 | H4 | 120.1° | 120.1° |
| C09 | C10 | C11 | H5 | 120.1° | 120.0° |
| C09 | C10 | C11 | C12 | 168.9° | 180.0° |
| C09 | C10 | H4 | H5 | 119.7° | 120.0° |
| C09 | C10 | C11 | H6 | 70.7° | 60.0° |
| C09 | C10 | C11 | H7 | 48.5° | 60.0° |
| C10 | C09 | C04 | H17 | 80.0° | 93.3° |
| C39 | C38 | C37 | C31 | 179.9° | 179.5° |
| C39 | C38 | C37 | C35 | 179.8° | 180.0° |
| C39 | C38 | C31 | N30 | 1.6° | 0.2° |
| C39 | C38 | C31 | C32 | 178.6° | 180.0° |
| C39 | C38 | C37 | H39 | 0.2° | 0.6° |
| C38 | C39 | H40 | H41 | 120.0° | 120.0° |
| C38 | C39 | H40 | H42 | 120.0° | 120.1° |
| C38 | C39 | H41 | H42 | 120.0° | 120.0° |
| C27 | C26 | C25 | C19 | 179.8° | 179.8° |
| C27 | C26 | C25 | C23 | 179.2° | 180.0° |
| C27 | C26 | C19 | N18 | 2.9° | 0.2° |
| C27 | C26 | C19 | C20 | 179.4° | 179.7° |
| C27 | C26 | C25 | H27 | 0.8° | 0.2° |
| C26 | C27 | H28 | H29 | 120.0° | 120.0° |
| C26 | C27 | H28 | H30 | 120.0° | 120.0° |
| C26 | C27 | H29 | H30 | 120.0° | 120.0° |
| C10 | C11 | C12 | H6 | 120.4° | 119.9° |
| C10 | C11 | C12 | H7 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| C11 | C10 | H4 | H5 | 119.8° | 119.9° |
| C10 | C11 | H6 | H7 | 118.7° | 120.0° |
| C10 | C11 | C12 | H8 | 59.1° | 60.0° |
| C10 | C11 | C12 | H9 | 60.9° | 59.9° |
| C11 | C10 | C09 | H22 | 44.6° | 51.7° |
| C38 | C37 | C35 | H39 | 180.0° | 179.4° |
| C38 | C37 | C35 | C36 | 179.3° | 179.7° |
| C38 | C37 | C35 | C34 | 1.2° | 0.3° |
| C37 | C38 | C31 | N30 | 178.4° | 179.7° |
| C37 | C38 | C31 | C32 | 1.5° | 0.6° |
| C37 | C38 | C39 | H40 | 90.1° | 90.0° |
| C37 | C38 | C39 | H41 | 150.0° | 150.0° |
| C37 | C38 | C39 | H42 | 29.9° | 30.0° |
| C35 | C37 | C38 | C31 | 0.1° | 0.6° |
| C37 | C35 | C36 | C34 | 178.1° | 180.0° |
| C37 | C35 | C34 | C32 | 0.6° | 0.0° |
| C37 | C35 | C34 | H35 | 179.4° | 180.0° |
| C37 | C35 | C36 | H36 | 90.8° | 90.0° |
| C37 | C35 | C36 | H37 | 149.1° | 30.0° |
| C37 | C35 | C36 | H38 | 29.2° | 150.0° |
| C38 | C31 | N30 | C32 | 179.9° | 179.8° |
| C38 | C31 | N30 | C40 | 113.2° | 90.3° |
| C38 | C31 | N30 | C28 | 108.8° | 89.6° |
| C38 | C31 | C32 | C34 | 2.0° | 0.3° |
| C38 | C31 | C32 | C33 | 178.7° | 179.7° |
| C31 | C38 | C37 | H39 | 179.9° | 180.0° |
| C31 | C38 | C39 | H40 | 90.0° | 90.5° |
| C31 | C38 | C39 | H41 | 30.0° | 29.5° |
| C31 | C38 | C39 | H42 | 150.0° | 149.4° |
| C26 | C25 | C23 | H27 | 180.0° | 179.7° |
| C26 | C25 | C23 | C24 | 179.5° | 179.7° |
| C26 | C25 | C23 | C22 | 0.8° | 0.3° |
| C25 | C26 | C19 | N18 | 176.9° | 180.0° |
| C25 | C26 | C19 | C20 | 0.5° | 0.1° |
| C25 | C26 | C27 | H28 | 89.9° | 85.1° |
| C25 | C26 | C27 | H29 | 150.1° | 155.0° |
| C25 | C26 | C27 | H30 | 30.1° | 34.9° |
| C23 | C25 | C26 | C19 | 0.6° | 0.3° |
| C25 | C23 | C24 | C22 | 178.7° | 180.0° |
| C25 | C23 | C22 | C20 | 0.9° | 0.0° |
| C25 | C23 | C22 | H14 | 179.1° | 180.0° |
| C25 | C23 | C24 | H24 | 89.4° | 90.0° |
| C25 | C23 | C24 | H25 | 150.6° | 30.0° |
| C25 | C23 | C24 | H26 | 30.6° | 150.0° |
| C26 | C19 | N18 | C17 | 93.7° | 82.2° |
| C26 | C19 | N18 | C20 | 176.4° | 179.9° |
| C26 | C19 | N18 | C28 | 101.9° | 97.7° |
| C26 | C19 | C20 | C22 | 0.6° | 0.3° |
| C26 | C19 | C20 | C21 | 179.5° | 180.0° |
| C19 | C26 | C25 | H27 | 179.4° | 180.0° |
| C19 | C26 | C27 | H28 | 89.9° | 95.2° |
| C19 | C26 | C27 | H29 | 30.1° | 24.8° |
| C19 | C26 | C27 | H30 | 150.1° | 144.8° |
| C11 | C12 | C13 | H8 | 120.0° | 119.9° |
| C11 | C12 | C13 | H9 | 119.9° | 120.1° |
| C11 | C12 | C13 | C14 | 75.8° | 180.0° |
| C12 | C11 | C10 | H4 | 48.8° | 59.9° |
| C12 | C11 | C10 | H5 | 71.0° | 60.0° |
| C12 | C11 | H6 | H7 | 118.7° | 120.1° |
| C11 | C12 | H8 | H9 | 120.1° | 120.0° |
| C11 | C12 | C13 | H10 | 45.1° | 60.0° |
| C11 | C12 | C13 | H11 | 163.3° | 60.0° |
| C36 | C35 | C34 | C32 | 178.6° | 180.0° |
| C36 | C35 | C34 | H35 | 1.4° | 0.0° |
| C35 | C36 | H36 | H37 | 120.0° | 120.0° |
| C35 | C36 | H36 | H38 | 120.0° | 120.1° |
| C35 | C36 | H37 | H38 | 120.0° | 120.0° |
| C36 | C35 | C37 | H39 | 0.7° | 0.3° |
| C35 | C34 | C32 | C31 | 1.0° | 0.0° |
| C35 | C34 | C32 | H35 | 180.0° | 180.0° |
| C35 | C34 | C32 | C33 | 179.8° | 180.0° |
| C34 | C35 | C36 | H36 | 91.1° | 90.0° |
| C34 | C35 | C36 | H37 | 28.9° | 149.9° |
| C34 | C35 | C36 | H38 | 148.9° | 30.0° |
| C34 | C35 | C37 | H39 | 178.8° | 179.7° |
| C31 | N30 | C40 | C28 | 148.2° | 180.0° |
| C31 | N30 | C40 | C17 | 162.5° | 180.0° |
| C31 | N30 | C28 | AU1 | 36.9° | 0.0° |
| C31 | N30 | C28 | N18 | 169.2° | 180.0° |
| N30 | C31 | C32 | C34 | 177.8° | 180.0° |
| N30 | C31 | C32 | C33 | 1.4° | 0.1° |
| C31 | N30 | C40 | H43 | 42.6° | 61.2° |
| C31 | N30 | C40 | H31 | 77.6° | 61.2° |
| C40 | N30 | C31 | C32 | 66.7° | 89.9° |
| N30 | C40 | C17 | H43 | 119.9° | 118.7° |
| N30 | C40 | C17 | H31 | 119.8° | 118.8° |
| C40 | N30 | C28 | AU1 | 171.8° | 180.0° |
| N30 | C40 | C17 | N18 | 1.1° | 0.0° |
| C40 | N30 | C28 | N18 | 39.5° | 0.0° |
| N30 | C40 | C17 | C16 | 113.2° | 118.8° |
| N30 | C40 | H43 | H31 | 120.4° | 122.3° |
| N30 | C40 | C17 | H15 | 124.4° | 118.9° |
| C28 | N30 | C31 | C32 | 71.3° | 90.1° |
| C28 | N30 | C40 | C17 | 14.3° | 0.0° |
| N30 | C28 | AU1 | N18 | 140.9° | 180.0° |
| N30 | C28 | N18 | C17 | 39.1° | 0.0° |
| N30 | C28 | N18 | C19 | 151.5° | 179.9° |
| C28 | N30 | C40 | H43 | 105.6° | 118.8° |
| C28 | N30 | C40 | H31 | 134.2° | 118.9° |
| C31 | C32 | C34 | C33 | 179.2° | 180.0° |
| C31 | C32 | C33 | H32 | 90.4° | 90.0° |
| C31 | C32 | C33 | H33 | 149.6° | 150.0° |
| C31 | C32 | C33 | H34 | 29.6° | 30.0° |
| C31 | C32 | C34 | H35 | 179.0° | 180.0° |
| C24 | C23 | C22 | C20 | 179.6° | 180.0° |
| C24 | C23 | C22 | H14 | 0.4° | 0.0° |
| C23 | C24 | H24 | H25 | 120.0° | 120.0° |
| C23 | C24 | H24 | H26 | 120.0° | 120.0° |
| C23 | C24 | H25 | H26 | 120.0° | 120.0° |
| C24 | C23 | C25 | H27 | 0.4° | 0.0° |
| C40 | C17 | N18 | C16 | 116.7° | 118.9° |
| C40 | C17 | N18 | H15 | 125.0° | 118.9° |
| C40 | C17 | N18 | C19 | 171.9° | 179.9° |
| C40 | C17 | N18 | C28 | 19.7° | 0.0° |
| C40 | C17 | C16 | H15 | 123.9° | 122.2° |
| C40 | C17 | C16 | N15 | 109.7° | 176.0° |
| C40 | C17 | C16 | H12 | 130.5° | 56.0° |
| C40 | C17 | C16 | H13 | 10.2° | 63.9° |
| C17 | C40 | H43 | H31 | 120.5° | 122.4° |
| AU1 | C28 | N18 | C17 | 166.8° | 180.0° |
| AU1 | C28 | N18 | C19 | 23.8° | 0.1° |
| C23 | C22 | C20 | C19 | 0.8° | 0.3° |
| C23 | C22 | C20 | H14 | 180.0° | 180.0° |
| C23 | C22 | C20 | C21 | 179.3° | 180.0° |
| C22 | C23 | C24 | H24 | 89.4° | 90.0° |
| C22 | C23 | C24 | H25 | 30.7° | 150.0° |
| C22 | C23 | C24 | H26 | 150.7° | 30.0° |
| C22 | C23 | C25 | H27 | 179.2° | 180.0° |
| C17 | N18 | C19 | C28 | 164.4° | 179.9° |
| N18 | C17 | C16 | H15 | 117.7° | 122.3° |
| C17 | N18 | C19 | C20 | 82.7° | 97.9° |
| N18 | C17 | C16 | N15 | 132.0° | 60.5° |
| N18 | C17 | C16 | H12 | 12.1° | 59.5° |
| N18 | C17 | C16 | H13 | 108.2° | 179.4° |
| N18 | C17 | C40 | H43 | 121.0° | 118.7° |
| N18 | C17 | C40 | H31 | 118.7° | 118.9° |
| C19 | N18 | C17 | C16 | 71.4° | 61.2° |
| N18 | C19 | C20 | C22 | 176.8° | 179.7° |
| N18 | C19 | C20 | C21 | 3.3° | 0.1° |
| C19 | N18 | C17 | H15 | 46.8° | 61.0° |
| C28 | N18 | C17 | C16 | 97.0° | 118.9° |
| C28 | N18 | C19 | C20 | 81.7° | 82.2° |
| C28 | N18 | C17 | H15 | 144.8° | 118.9° |
| C17 | C16 | N15 | C14 | 79.6° | 180.0° |
| C17 | C16 | N15 | H12 | 119.9° | 120.0° |
| C17 | C16 | N15 | H13 | 119.9° | 120.0° |
| C17 | C16 | H12 | H13 | 120.4° | 120.0° |
| C17 | C16 | N15 | H23 | 100.4° | 0.1° |
| C16 | C17 | C40 | H43 | 6.7° | 122.4° |
| C16 | C17 | C40 | H31 | 127.0° | 0.0° |
| C19 | C20 | C22 | C21 | 179.9° | 179.7° |
| C19 | C20 | C21 | H1 | 90.0° | 95.9° |
| C19 | C20 | C21 | H2 | 149.9° | 24.1° |
| C19 | C20 | C21 | H3 | 30.0° | 144.0° |
| C19 | C20 | C22 | H14 | 179.2° | 179.7° |
| C12 | C13 | C14 | O41 | 28.5° | 0.0° |
| C12 | C13 | C14 | H10 | 120.8° | 120.0° |
| C12 | C13 | C14 | H11 | 120.9° | 120.0° |
| C12 | C13 | C14 | N15 | 152.2° | 179.9° |
| C13 | C12 | C11 | H6 | 60.4° | 60.1° |
| C13 | C12 | C11 | H7 | 58.7° | 60.0° |
| C13 | C12 | H8 | H9 | 120.1° | 120.0° |
| C12 | C13 | H10 | H11 | 117.3° | 120.0° |
| C34 | C32 | C33 | H32 | 90.4° | 90.0° |
| C34 | C32 | C33 | H33 | 29.6° | 30.0° |
| C34 | C32 | C33 | H34 | 149.6° | 150.0° |
| O41 | C14 | C13 | N15 | 179.3° | 179.9° |
| O41 | C14 | N15 | C16 | 5.5° | 0.1° |
| O41 | C14 | C13 | H10 | 149.4° | 120.0° |
| O41 | C14 | C13 | H11 | 92.4° | 120.0° |
| O41 | C14 | N15 | H23 | 174.5° | 180.0° |
| C32 | C33 | H32 | H33 | 120.0° | 120.0° |
| C32 | C33 | H32 | H34 | 120.0° | 120.0° |
| C32 | C33 | H33 | H34 | 120.0° | 120.0° |
| C33 | C32 | C34 | H35 | 0.2° | 0.0° |
| C22 | C20 | C21 | H1 | 90.1° | 84.4° |
| C22 | C20 | C21 | H2 | 30.0° | 155.6° |
| C22 | C20 | C21 | H3 | 149.9° | 35.7° |
| C13 | C14 | N15 | C16 | 173.8° | 180.0° |
| C14 | C13 | C12 | H8 | 164.2° | 60.0° |
| C14 | C13 | C12 | H9 | 44.2° | 60.0° |
| C14 | C13 | H10 | H11 | 117.3° | 120.0° |
| C13 | C14 | N15 | H23 | 6.2° | 0.1° |
| C14 | N15 | C16 | H23 | 180.0° | 179.9° |
| N15 | C14 | C13 | H10 | 31.3° | 60.0° |
| N15 | C14 | C13 | H11 | 86.9° | 60.1° |
| C14 | N15 | C16 | H12 | 40.3° | 60.1° |
| C14 | N15 | C16 | H13 | 160.5° | 59.9° |
| C20 | C21 | H1 | H2 | 120.0° | 120.0° |
| C20 | C21 | H1 | H3 | 120.0° | 120.1° |
| C20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C21 | C20 | C22 | H14 | 0.7° | 0.1° |
| N15 | C16 | H12 | H13 | 120.4° | 120.1° |
| N15 | C16 | C17 | H15 | 14.2° | 61.8° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | C11 | H6 | 169.3° | 60.0° |
| H4 | C10 | C11 | H7 | 71.6° | 180.0° |
| H4 | C10 | C09 | H22 | 164.6° | 68.4° |
| H5 | C10 | C11 | H6 | 49.4° | 180.0° |
| H5 | C10 | C11 | H7 | 168.6° | 60.0° |
| H5 | C10 | C09 | H22 | 75.5° | 171.6° |
| H6 | C11 | C12 | H8 | 179.6° | 180.0° |
| H6 | C11 | C12 | H9 | 59.5° | 60.0° |
| H7 | C11 | C12 | H8 | 61.3° | 60.0° |
| H7 | C11 | C12 | H9 | 178.6° | 180.0° |
| H8 | C12 | C13 | H10 | 74.9° | 179.9° |
| H8 | C12 | C13 | H11 | 43.3° | 60.0° |
| H9 | C12 | C13 | H10 | 165.0° | 60.1° |
| H9 | C12 | C13 | H11 | 76.7° | 180.0° |
| H12 | C16 | N15 | H23 | 139.8° | 120.0° |
| H12 | C16 | C17 | H15 | 105.6° | 178.3° |
| H13 | C16 | N15 | H23 | 19.5° | 120.0° |
| H13 | C16 | C17 | H15 | 134.1° | 58.3° |
| H16 | N03 | C04 | H17 | 61.2° | 61.4° |
| H17 | C04 | C05 | H18 | 3.0° | 0.2° |
| H17 | C04 | C09 | H22 | 37.8° | 30.1° |
| H18 | C05 | C06 | H19 | 21.4° | 29.8° |
| H18 | C05 | C06 | H20 | 98.7° | 93.6° |
| H18 | C05 | N08 | H21 | 56.9° | 61.7° |
| H24 | C24 | H25 | H26 | 119.9° | 120.0° |
| H28 | C27 | H29 | H30 | 120.0° | 120.1° |
| H32 | C33 | H33 | H34 | 120.0° | 120.0° |
| H36 | C36 | H37 | H38 | 120.0° | 120.0° |
| H40 | C39 | H41 | H42 | 120.0° | 120.0° |
| H43 | C40 | C17 | H15 | 115.8° | 0.2° |
| H15 | C17 | C40 | H31 | 4.6° | 122.2° |
