V70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C08 | doub | 1.45Å | 1.43Å | Aromatic |
| C01 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C01 | N03 | sing | 1.36Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.46Å | 1.44Å | |
| C02 | C16 | doub | 1.42Å | 1.41Å | Aromatic |
| C02 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C07 | sing | 1.45Å | 1.47Å | |
| C03 | N04 | doub | 1.35Å | 1.30Å | |
| C04 | C10 | doub | 1.45Å | 1.42Å | Aromatic |
| C04 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C04 | N06 | sing | 1.36Å | 1.38Å | Aromatic |
| C05 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C06 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C15 | doub | 1.36Å | 1.35Å | Aromatic |
| C07 | C14 | sing | 1.46Å | 1.46Å | |
| C07 | N02 | doub | 1.35Å | 1.28Å | |
| C08 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C08 | N05 | sing | 1.36Å | 1.35Å | Aromatic |
| C09 | C14 | doub | 1.42Å | 1.40Å | Aromatic |
| C09 | C16 | sing | 1.48Å | 1.48Å | |
| C09 | C36 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | N01 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C31 | doub | 1.43Å | 1.43Å | Aromatic |
| C12 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | N03 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | C27 | doub | 1.43Å | 1.42Å | Aromatic |
| C14 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C29 | doub | 1.43Å | 1.43Å | Aromatic |
| C17 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C35 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | N01 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | N06 | doub | 1.33Å | 1.32Å | Aromatic |
| C21 | C25 | doub | 1.36Å | 1.36Å | Aromatic |
| C22 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N05 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C28 | doub | 1.43Å | 1.43Å | Aromatic |
| C26 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | C31 | sing | 1.34Å | 1.34Å | Aromatic |
| C30 | C37 | doub | 1.37Å | 1.38Å | Aromatic |
| C32 | C38 | sing | 1.39Å | 1.36Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C36 | C38 | doub | 1.37Å | 1.35Å | Aromatic |
| N01 | RU01 | sing | 2.06Å | 2.10Å | |
| N02 | RU01 | sing | 2.06Å | 2.04Å | |
| N03 | RU01 | sing | 2.06Å | 2.06Å | |
| N04 | RU01 | sing | 2.06Å | 2.00Å | |
| N05 | RU01 | sing | 2.10Å | 2.07Å | |
| N06 | RU01 | sing | 2.10Å | 2.05Å | |
| C05 | H01 | sing | 0.94Å | 1.08Å | |
| C06 | H02 | sing | 0.94Å | 1.08Å | |
| C12 | H03 | sing | 0.94Å | 1.08Å | |
| C15 | H04 | sing | 0.94Å | 1.08Å | |
| C18 | H05 | sing | 0.94Å | 1.08Å | |
| C19 | H06 | sing | 0.94Å | 1.08Å | |
| C20 | H07 | sing | 0.94Å | 1.08Å | |
| C21 | H08 | sing | 0.94Å | 1.08Å | |
| C22 | H09 | sing | 0.94Å | 1.08Å | |
| C24 | H10 | sing | 0.94Å | 1.08Å | |
| C25 | H11 | sing | 0.94Å | 1.08Å | |
| C26 | H25 | sing | 0.94Å | 1.08Å | |
| C27 | H12 | sing | 0.94Å | 1.08Å | |
| C28 | H13 | sing | 0.94Å | 1.08Å | |
| C29 | H14 | sing | 0.94Å | 1.08Å | |
| C30 | H15 | sing | 0.94Å | 1.08Å | |
| C31 | H16 | sing | 0.94Å | 1.08Å | |
| C32 | H17 | sing | 0.94Å | 1.08Å | |
| C33 | H18 | sing | 0.94Å | 1.08Å | |
| C34 | H19 | sing | 0.94Å | 1.08Å | |
| C35 | H20 | sing | 0.95Å | 1.08Å | |
| C36 | H21 | sing | 0.94Å | 1.08Å | |
| C37 | H22 | sing | 0.94Å | 1.08Å | |
| C38 | H23 | sing | 0.94Å | 1.08Å | |
| N02 | H26 | sing | 0.87Å | 1.00Å | |
| N04 | H24 | sing | 0.87Å | 1.00Å | |
| H1 | N02 | sing | 0.86Å | 1.00Å | |
| H2 | N04 | sing | 0.86Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C01 | C11 | 118.4° | 119.1° |
| C08 | C01 | N03 | 117.4° | 118.4° |
| C01 | C08 | C17 | 121.3° | 119.2° |
| C01 | C08 | N05 | 116.0° | 118.3° |
| C11 | C01 | N03 | 124.2° | 122.4° |
| C01 | C11 | C25 | 115.4° | 117.6° |
| C01 | C11 | C31 | 119.9° | 119.6° |
| C01 | N03 | C12 | 118.1° | 117.6° |
| C01 | N03 | RU01 | 112.9° | 111.1° |
| C03 | C02 | C16 | 118.9° | 119.4° |
| C03 | C02 | C18 | 118.5° | 121.2° |
| C02 | C03 | C07 | 119.1° | 120.3° |
| C02 | C03 | N04 | 126.3° | 119.9° |
| C16 | C02 | C18 | 122.6° | 119.3° |
| C02 | C16 | C09 | 122.3° | 120.3° |
| C02 | C16 | C30 | 116.7° | 117.2° |
| C02 | C18 | C35 | 118.6° | 121.4° |
| C02 | C18 | H05 | 120.7° | 120.0° |
| C07 | C03 | N04 | 114.7° | 119.8° |
| C03 | C07 | C14 | 121.0° | 120.0° |
| C03 | C07 | N02 | 111.1° | 120.3° |
| C03 | N04 | RU01 | 118.5° | 106.9° |
| C03 | N04 | H24 | 107.2° | 123.1° |
| C03 | N04 | H2 | 107.2° | 115.6° |
| C10 | C04 | C23 | 119.1° | 119.2° |
| C10 | C04 | N06 | 116.6° | 118.3° |
| C04 | C10 | C13 | 120.4° | 119.1° |
| C04 | C10 | N01 | 115.5° | 118.4° |
| C23 | C04 | N06 | 124.3° | 122.5° |
| C04 | C23 | C24 | 116.0° | 117.5° |
| C04 | C23 | C28 | 118.7° | 119.6° |
| C04 | N06 | C20 | 117.2° | 117.7° |
| C04 | N06 | RU01 | 115.0° | 109.8° |
| C20 | C05 | C24 | 121.9° | 118.7° |
| C05 | C20 | N06 | 121.6° | 123.7° |
| C20 | C05 | H01 | 119.0° | 120.5° |
| C05 | C20 | H07 | 119.2° | 118.3° |
| C05 | C24 | C23 | 118.9° | 120.0° |
| C24 | C05 | H01 | 119.1° | 120.8° |
| C05 | C24 | H10 | 120.5° | 120.2° |
| C13 | C06 | C15 | 120.8° | 120.0° |
| C06 | C13 | C10 | 115.5° | 117.5° |
| C06 | C13 | C27 | 125.3° | 122.9° |
| C13 | C06 | H02 | 119.6° | 119.8° |
| C06 | C15 | C19 | 120.3° | 118.7° |
| C15 | C06 | H02 | 119.6° | 120.2° |
| C06 | C15 | H04 | 119.9° | 120.7° |
| C14 | C07 | N02 | 127.9° | 119.1° |
| C07 | C14 | C09 | 119.3° | 119.5° |
| C07 | C14 | C26 | 122.6° | 121.2° |
| C07 | N02 | RU01 | 119.8° | 106.7° |
| C07 | N02 | H26 | 106.8° | 122.9° |
| C07 | N02 | H1 | 106.8° | 116.0° |
| C17 | C08 | N05 | 122.7° | 122.5° |
| C08 | C17 | C29 | 117.9° | 119.6° |
| C08 | C17 | C33 | 117.7° | 117.5° |
| C08 | N05 | C22 | 118.7° | 117.7° |
| C08 | N05 | RU01 | 113.8° | 109.8° |
| C14 | C09 | C16 | 119.5° | 120.4° |
| C14 | C09 | C36 | 119.4° | 117.2° |
| C09 | C14 | C26 | 118.2° | 119.3° |
| C16 | C09 | C36 | 121.1° | 122.4° |
| C09 | C16 | C30 | 121.0° | 122.5° |
| C09 | C36 | C38 | 120.6° | 122.0° |
| C09 | C36 | H21 | 119.7° | 120.0° |
| C13 | C10 | N01 | 124.0° | 122.4° |
| C10 | C13 | C27 | 119.2° | 119.6° |
| C10 | N01 | C19 | 118.1° | 117.7° |
| C10 | N01 | RU01 | 114.2° | 111.1° |
| C25 | C11 | C31 | 124.7° | 122.8° |
| C11 | C25 | C21 | 120.3° | 119.9° |
| C11 | C25 | H11 | 119.9° | 119.9° |
| C11 | C31 | C29 | 120.7° | 121.2° |
| C11 | C31 | H16 | 119.7° | 119.2° |
| C21 | C12 | N03 | 121.7° | 123.7° |
| C12 | C21 | C25 | 120.4° | 118.7° |
| C21 | C12 | H03 | 119.2° | 118.2° |
| C12 | C21 | H08 | 119.8° | 120.5° |
| C12 | N03 | RU01 | 128.9° | 131.3° |
| N03 | C12 | H03 | 119.2° | 118.1° |
| C13 | C27 | C28 | 120.5° | 121.3° |
| C13 | C27 | H12 | 119.8° | 119.1° |
| C14 | C26 | C32 | 120.6° | 121.5° |
| C14 | C26 | H25 | 119.7° | 119.9° |
| C15 | C19 | N01 | 121.2° | 123.7° |
| C19 | C15 | H04 | 119.9° | 120.6° |
| C15 | C19 | H06 | 119.4° | 118.2° |
| C16 | C30 | C37 | 120.3° | 122.0° |
| C16 | C30 | H15 | 119.8° | 120.1° |
| C29 | C17 | C33 | 124.3° | 122.9° |
| C17 | C29 | C31 | 121.8° | 121.3° |
| C17 | C29 | H14 | 119.1° | 119.2° |
| C17 | C33 | C34 | 119.2° | 119.9° |
| C17 | C33 | H18 | 120.4° | 119.9° |
| C18 | C35 | C37 | 119.6° | 119.9° |
| C35 | C18 | H05 | 120.7° | 118.6° |
| C18 | C35 | H20 | 120.2° | 120.1° |
| C19 | N01 | RU01 | 127.5° | 131.3° |
| N01 | C19 | H06 | 119.4° | 118.1° |
| C20 | N06 | RU01 | 127.8° | 132.5° |
| N06 | C20 | H07 | 119.2° | 118.0° |
| C25 | C21 | H08 | 119.8° | 120.7° |
| C21 | C25 | H11 | 119.9° | 120.2° |
| C34 | C22 | N05 | 121.4° | 123.6° |
| C22 | C34 | C33 | 120.3° | 118.8° |
| C34 | C22 | H09 | 119.3° | 118.3° |
| C22 | C34 | H19 | 119.9° | 120.5° |
| C22 | N05 | RU01 | 127.5° | 132.5° |
| N05 | C22 | H09 | 119.3° | 118.0° |
| C24 | C23 | C28 | 125.2° | 123.0° |
| C23 | C24 | H10 | 120.6° | 119.8° |
| C23 | C28 | C27 | 122.0° | 121.2° |
| C23 | C28 | H13 | 119.0° | 119.1° |
| C26 | C32 | C38 | 120.4° | 119.9° |
| C32 | C26 | H25 | 119.7° | 118.6° |
| C26 | C32 | H17 | 119.8° | 120.1° |
| C28 | C27 | H12 | 119.8° | 119.6° |
| C27 | C28 | H13 | 119.0° | 119.7° |
| C31 | C29 | H14 | 119.1° | 119.6° |
| C29 | C31 | H16 | 119.6° | 119.6° |
| C30 | C37 | C35 | 122.1° | 120.1° |
| C37 | C30 | H15 | 119.8° | 117.9° |
| C30 | C37 | H22 | 119.0° | 119.9° |
| C32 | C38 | C36 | 120.8° | 120.1° |
| C38 | C32 | H17 | 119.8° | 120.0° |
| C32 | C38 | H23 | 119.6° | 119.9° |
| C34 | C33 | H18 | 120.4° | 120.2° |
| C33 | C34 | H19 | 119.8° | 120.8° |
| C37 | C35 | H20 | 120.2° | 120.0° |
| C35 | C37 | H22 | 118.9° | 120.0° |
| C38 | C36 | H21 | 119.7° | 117.9° |
| C36 | C38 | H23 | 119.6° | 119.9° |
| N01 | RU01 | N02 | 88.6° | 92.2° |
| N01 | RU01 | N03 | 93.7° | 90.1° |
| N01 | RU01 | N04 | 162.6° | 174.7° |
| N01 | RU01 | N05 | 91.1° | 92.9° |
| N01 | RU01 | N06 | 78.6° | 82.4° |
| N02 | RU01 | N03 | 170.3° | 174.7° |
| N02 | RU01 | N04 | 75.7° | 86.0° |
| N02 | RU01 | N05 | 90.7° | 92.8° |
| N02 | RU01 | N06 | 90.9° | 92.1° |
| RU01 | N02 | H26 | 106.8° | 111.5° |
| RU01 | N02 | H1 | 106.8° | 73.8° |
| N03 | RU01 | N04 | 103.0° | 92.1° |
| N03 | RU01 | N05 | 79.9° | 82.3° |
| N03 | RU01 | N06 | 98.8° | 92.9° |
| N04 | RU01 | N05 | 96.7° | 92.1° |
| N04 | RU01 | N06 | 93.8° | 92.7° |
| RU01 | N04 | H24 | 107.2° | 111.4° |
| RU01 | N04 | H2 | 107.2° | 73.5° |
| N05 | RU01 | N06 | 169.5° | 173.3° |
| H26 | N02 | H1 | 109.5° | 114.5° |
| H24 | N04 | H2 | 109.5° | 114.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C01 | C11 | N03 | 178.8° | 179.9° |
| C01 | C08 | C17 | N05 | 179.9° | 179.7° |
| C08 | C01 | C11 | C25 | 179.8° | 180.0° |
| C08 | C01 | C11 | C31 | 0.1° | 0.1° |
| C08 | C01 | N03 | C12 | 179.5° | 179.9° |
| C01 | C08 | C17 | C29 | 0.7° | 0.1° |
| C01 | C08 | C17 | C33 | 179.3° | 179.9° |
| C01 | C08 | N05 | C22 | 179.3° | 180.0° |
| C08 | C01 | N03 | RU01 | 2.2° | 1.3° |
| C01 | C08 | N05 | RU01 | 1.3° | 1.2° |
| C11 | C01 | C08 | C17 | 0.4° | 0.1° |
| C11 | C01 | C08 | N05 | 179.5° | 179.8° |
| C01 | C11 | C25 | C31 | 179.9° | 179.9° |
| C11 | C01 | N03 | C12 | 1.6° | 0.2° |
| C01 | C11 | C25 | C21 | 0.4° | 0.1° |
| C01 | C11 | C31 | C29 | 0.1° | 0.1° |
| C11 | C01 | N03 | RU01 | 178.9° | 178.5° |
| C01 | C11 | C25 | H11 | 179.6° | 180.0° |
| C01 | C11 | C31 | H16 | 179.9° | 179.9° |
| N03 | C01 | C08 | C17 | 179.3° | 179.8° |
| N03 | C01 | C08 | N05 | 0.6° | 0.1° |
| N03 | C01 | C11 | C25 | 1.0° | 0.2° |
| N03 | C01 | C11 | C31 | 179.0° | 179.9° |
| C01 | N03 | C12 | C21 | 1.6° | 0.2° |
| C01 | N03 | C12 | RU01 | 176.8° | 178.4° |
| C01 | N03 | RU01 | N01 | 92.7° | 94.4° |
| C01 | N03 | RU01 | N02 | 10.9° | 20.9° |
| C01 | N03 | RU01 | N04 | 92.3° | 90.4° |
| C01 | N03 | RU01 | N05 | 2.2° | 1.5° |
| C01 | N03 | RU01 | N06 | 171.7° | 176.8° |
| C01 | N03 | C12 | H03 | 178.4° | 180.0° |
| C03 | C02 | C16 | C18 | 179.8° | 177.4° |
| C02 | C03 | C07 | N04 | 179.3° | 178.7° |
| C02 | C03 | C07 | C14 | 1.5° | 3.1° |
| C02 | C03 | C07 | N02 | 177.8° | 174.7° |
| C03 | C02 | C16 | C09 | 0.0° | 1.9° |
| C03 | C02 | C16 | C30 | 179.5° | 179.2° |
| C03 | C02 | C18 | C35 | 179.1° | 179.2° |
| C02 | C03 | N04 | RU01 | 177.2° | 176.7° |
| C03 | C02 | C18 | H05 | 0.9° | 1.9° |
| C02 | C03 | N04 | H24 | 56.0° | 45.8° |
| C02 | C03 | N04 | H2 | 61.4° | 103.9° |
| C16 | C02 | C03 | C07 | 1.0° | 0.3° |
| C16 | C02 | C03 | N04 | 178.2° | 178.9° |
| C02 | C16 | C09 | C14 | 0.6° | 1.4° |
| C02 | C16 | C09 | C30 | 179.5° | 178.8° |
| C02 | C16 | C09 | C36 | 179.0° | 178.5° |
| C16 | C02 | C18 | C35 | 1.1° | 1.8° |
| C02 | C16 | C30 | C37 | 0.3° | 1.0° |
| C16 | C02 | C18 | H05 | 178.9° | 179.3° |
| C02 | C16 | C30 | H15 | 179.7° | 179.1° |
| C18 | C02 | C03 | C07 | 179.1° | 177.1° |
| C18 | C02 | C03 | N04 | 1.6° | 1.6° |
| C18 | C02 | C16 | C09 | 179.8° | 179.3° |
| C18 | C02 | C16 | C30 | 0.7° | 1.8° |
| C02 | C18 | C35 | H05 | 180.0° | 178.9° |
| C02 | C18 | C35 | C37 | 0.5° | 1.0° |
| C02 | C18 | C35 | H20 | 179.4° | 179.2° |
| C03 | C07 | C14 | N02 | 179.1° | 171.7° |
| C03 | C07 | C14 | C09 | 0.8° | 3.6° |
| C03 | C07 | C14 | C26 | 179.0° | 177.7° |
| C03 | C07 | N02 | RU01 | 1.1° | 4.3° |
| C07 | C03 | N04 | RU01 | 3.5° | 4.7° |
| C03 | C07 | N02 | H26 | 122.6° | 134.8° |
| C07 | C03 | N04 | H24 | 124.8° | 135.6° |
| C03 | C07 | N02 | H1 | 120.4° | 75.4° |
| C07 | C03 | N04 | H2 | 117.8° | 74.8° |
| N04 | C03 | C07 | C14 | 177.8° | 178.3° |
| N04 | C03 | C07 | N02 | 2.9° | 6.6° |
| C03 | N04 | RU01 | N01 | 24.6° | 68.5° |
| C03 | N04 | RU01 | N02 | 2.2° | 1.8° |
| C03 | N04 | RU01 | N03 | 172.3° | 176.8° |
| C03 | N04 | RU01 | H24 | 121.3° | 137.1° |
| C03 | N04 | RU01 | H2 | 121.3° | 112.4° |
| C03 | N04 | RU01 | N05 | 91.3° | 94.4° |
| C03 | N04 | RU01 | N06 | 87.7° | 90.1° |
| C03 | N04 | H24 | H2 | 115.9° | 150.0° |
| C10 | C04 | C23 | N06 | 179.5° | 179.7° |
| C04 | C10 | C13 | C06 | 180.0° | 180.0° |
| C04 | C10 | C13 | N01 | 178.2° | 179.9° |
| C04 | C10 | C13 | C27 | 0.2° | 0.0° |
| C04 | C10 | N01 | C19 | 178.5° | 179.9° |
| C10 | C04 | N06 | C20 | 180.0° | 180.0° |
| C10 | C04 | C23 | C24 | 179.7° | 180.0° |
| C10 | C04 | C23 | C28 | 0.5° | 0.2° |
| C04 | C10 | N01 | RU01 | 3.3° | 1.4° |
| C10 | C04 | N06 | RU01 | 1.6° | 1.2° |
| C04 | C23 | C24 | C05 | 0.1° | 0.2° |
| C23 | C04 | C10 | C13 | 0.0° | 0.1° |
| C23 | C04 | C10 | N01 | 178.3° | 179.8° |
| C23 | C04 | N06 | C20 | 0.6° | 0.3° |
| C04 | C23 | C24 | C28 | 179.2° | 179.8° |
| C04 | C23 | C28 | C27 | 0.7° | 0.2° |
| C23 | C04 | N06 | RU01 | 178.9° | 178.5° |
| C04 | C23 | C24 | H10 | 180.0° | 180.0° |
| C04 | C23 | C28 | H13 | 179.3° | 180.0° |
| C04 | N06 | C20 | C05 | 0.6° | 0.2° |
| N06 | C04 | C10 | C13 | 179.5° | 179.8° |
| N06 | C04 | C10 | N01 | 1.1° | 0.1° |
| C04 | N06 | C20 | RU01 | 178.1° | 178.4° |
| N06 | C04 | C23 | C24 | 0.2° | 0.3° |
| N06 | C04 | C23 | C28 | 179.0° | 179.9° |
| C04 | N06 | RU01 | N01 | 2.5° | 1.5° |
| C04 | N06 | RU01 | N02 | 85.9° | 90.5° |
| C04 | N06 | RU01 | N03 | 94.6° | 91.1° |
| C04 | N06 | RU01 | N04 | 161.6° | 176.6° |
| C04 | N06 | RU01 | N05 | 12.7° | 46.7° |
| C04 | N06 | C20 | H07 | 179.4° | 179.9° |
| C20 | C05 | C24 | H01 | 180.0° | 180.0° |
| C05 | C20 | N06 | H07 | 180.0° | 180.0° |
| C20 | C05 | C24 | C23 | 0.0° | 0.1° |
| C05 | C20 | N06 | RU01 | 178.7° | 178.2° |
| C20 | C05 | C24 | H10 | 180.0° | 179.9° |
| C24 | C05 | C20 | N06 | 0.4° | 0.1° |
| C05 | C24 | C23 | H10 | 180.0° | 179.8° |
| C05 | C24 | C23 | C28 | 179.2° | 180.0° |
| C24 | C05 | C20 | H07 | 179.6° | 179.9° |
| C13 | C06 | C15 | H02 | 180.0° | 179.9° |
| C06 | C13 | C10 | C27 | 179.7° | 180.0° |
| C06 | C13 | C10 | N01 | 1.8° | 0.2° |
| C13 | C06 | C15 | C19 | 0.5° | 0.1° |
| C06 | C13 | C27 | C28 | 179.7° | 180.0° |
| C13 | C06 | C15 | H04 | 179.5° | 180.0° |
| C06 | C13 | C27 | H12 | 0.3° | 0.0° |
| C15 | C06 | C13 | C10 | 0.4° | 0.1° |
| C15 | C06 | C13 | C27 | 179.3° | 179.9° |
| C06 | C15 | C19 | H04 | 180.0° | 179.9° |
| C06 | C15 | C19 | N01 | 2.0° | 0.2° |
| C06 | C15 | C19 | H06 | 178.0° | 180.0° |
| C07 | C14 | C09 | C26 | 179.9° | 178.7° |
| C07 | C14 | C09 | C16 | 0.2° | 1.4° |
| C07 | C14 | C09 | C36 | 179.5° | 178.6° |
| C07 | C14 | C26 | C32 | 180.0° | 178.9° |
| C14 | C07 | N02 | RU01 | 179.7° | 176.0° |
| C07 | C14 | C26 | H25 | 0.1° | 0.7° |
| C14 | C07 | N02 | H26 | 58.2° | 53.5° |
| C14 | C07 | N02 | H1 | 58.8° | 96.3° |
| N02 | C07 | C14 | C09 | 178.3° | 175.4° |
| N02 | C07 | C14 | C26 | 1.9° | 6.0° |
| C07 | N02 | RU01 | N01 | 171.8° | 176.4° |
| C07 | N02 | RU01 | H26 | 121.5° | 136.7° |
| C07 | N02 | RU01 | H1 | 121.4° | 112.9° |
| C07 | N02 | RU01 | N03 | 84.2° | 68.4° |
| C07 | N02 | RU01 | N04 | 0.5° | 1.3° |
| C07 | N02 | RU01 | N05 | 97.1° | 90.6° |
| C07 | N02 | RU01 | N06 | 93.2° | 93.9° |
| C07 | N02 | H26 | H1 | 115.3° | 150.2° |
| C08 | C17 | C29 | C33 | 178.5° | 179.9° |
| C17 | C08 | N05 | C22 | 0.7° | 0.2° |
| C08 | C17 | C29 | C31 | 0.7° | 0.1° |
| C08 | C17 | C33 | C34 | 0.8° | 0.2° |
| C17 | C08 | N05 | RU01 | 178.7° | 178.5° |
| C08 | C17 | C29 | H14 | 179.3° | 179.9° |
| C08 | C17 | C33 | H18 | 179.2° | 180.0° |
| N05 | C08 | C17 | C29 | 179.2° | 179.8° |
| N05 | C08 | C17 | C33 | 0.7° | 0.2° |
| C08 | N05 | C22 | C34 | 0.8° | 0.2° |
| C08 | N05 | C22 | RU01 | 179.3° | 178.5° |
| C08 | N05 | RU01 | N01 | 95.5° | 91.1° |
| C08 | N05 | RU01 | N02 | 175.9° | 176.6° |
| C08 | N05 | RU01 | N03 | 1.9° | 1.4° |
| C08 | N05 | RU01 | N04 | 100.1° | 90.5° |
| C08 | N05 | RU01 | N06 | 85.6° | 46.3° |
| C08 | N05 | C22 | H09 | 179.2° | 179.9° |
| C14 | C09 | C16 | C36 | 179.7° | 179.9° |
| C14 | C09 | C16 | C30 | 178.8° | 179.8° |
| C09 | C14 | C26 | C32 | 0.1° | 0.3° |
| C14 | C09 | C36 | C38 | 1.4° | 0.6° |
| C09 | C14 | C26 | H25 | 179.9° | 179.4° |
| C14 | C09 | C36 | H21 | 178.6° | 179.0° |
| C16 | C09 | C14 | C26 | 179.9° | 179.9° |
| C09 | C16 | C30 | C37 | 179.2° | 179.8° |
| C16 | C09 | C36 | C38 | 178.9° | 179.3° |
| C09 | C16 | C30 | H15 | 0.7° | 0.3° |
| C16 | C09 | C36 | H21 | 1.1° | 0.9° |
| C36 | C09 | C14 | C26 | 0.4° | 0.0° |
| C36 | C09 | C16 | C30 | 1.5° | 0.3° |
| C09 | C36 | C38 | C32 | 1.9° | 1.0° |
| C09 | C36 | C38 | H21 | 180.0° | 178.4° |
| C09 | C36 | C38 | H23 | 178.1° | 179.5° |
| C13 | C10 | N01 | C19 | 3.3° | 0.2° |
| C10 | C13 | C27 | C28 | 0.0° | 0.0° |
| C13 | C10 | N01 | RU01 | 178.5° | 178.5° |
| C10 | C13 | C06 | H02 | 179.6° | 180.0° |
| C10 | C13 | C27 | H12 | 180.0° | 180.0° |
| N01 | C10 | C13 | C27 | 177.9° | 179.9° |
| C10 | N01 | C19 | C15 | 3.3° | 0.2° |
| C10 | N01 | C19 | RU01 | 174.5° | 178.4° |
| C10 | N01 | RU01 | N02 | 88.0° | 90.3° |
| C10 | N01 | RU01 | N03 | 101.4° | 94.5° |
| C10 | N01 | RU01 | N04 | 62.1° | 20.3° |
| C10 | N01 | RU01 | N05 | 178.7° | 176.8° |
| C10 | N01 | RU01 | N06 | 3.2° | 1.5° |
| C10 | N01 | C19 | H06 | 176.7° | 180.0° |
| C11 | C25 | C21 | C12 | 0.4° | 0.1° |
| C11 | C25 | C21 | H11 | 180.0° | 179.9° |
| C25 | C11 | C31 | C29 | 179.8° | 180.0° |
| C11 | C25 | C21 | H08 | 179.6° | 179.9° |
| C25 | C11 | C31 | H16 | 0.2° | 0.0° |
| C11 | C31 | C29 | C17 | 0.4° | 0.0° |
| C31 | C11 | C25 | C21 | 179.6° | 180.0° |
| C11 | C31 | C29 | H16 | 180.0° | 180.0° |
| C31 | C11 | C25 | H11 | 0.4° | 0.1° |
| C11 | C31 | C29 | H14 | 179.6° | 180.0° |
| C21 | C12 | N03 | H03 | 180.0° | 179.9° |
| C12 | C21 | C25 | H08 | 180.0° | 180.0° |
| C21 | C12 | N03 | RU01 | 178.4° | 178.3° |
| C12 | C21 | C25 | H11 | 179.6° | 179.9° |
| N03 | C12 | C21 | C25 | 1.1° | 0.1° |
| C12 | N03 | RU01 | N01 | 90.4° | 87.1° |
| C12 | N03 | RU01 | N02 | 166.0° | 157.6° |
| C12 | N03 | RU01 | N04 | 84.6° | 88.2° |
| C12 | N03 | RU01 | N05 | 179.1° | 180.0° |
| C12 | N03 | RU01 | N06 | 11.4° | 4.7° |
| N03 | C12 | C21 | H08 | 179.0° | 179.9° |
| C13 | C27 | C28 | C23 | 0.4° | 0.1° |
| C13 | C27 | C28 | H12 | 180.0° | 179.9° |
| C27 | C13 | C06 | H02 | 0.7° | 0.1° |
| C13 | C27 | C28 | H13 | 179.6° | 180.0° |
| C14 | C26 | C32 | H25 | 180.0° | 179.7° |
| C14 | C26 | C32 | C38 | 0.4° | 0.0° |
| C14 | C26 | C32 | H17 | 179.6° | 179.9° |
| C15 | C19 | N01 | H06 | 180.0° | 179.8° |
| C15 | C19 | N01 | RU01 | 177.8° | 178.2° |
| C19 | C15 | C06 | H02 | 179.5° | 180.0° |
| C16 | C30 | C37 | H15 | 180.0° | 179.9° |
| C16 | C30 | C37 | C35 | 0.8° | 0.2° |
| C16 | C30 | C37 | H22 | 179.2° | 179.9° |
| C17 | C29 | C31 | H14 | 180.0° | 180.0° |
| C29 | C17 | C33 | C34 | 179.3° | 179.9° |
| C17 | C29 | C31 | H16 | 179.6° | 180.0° |
| C29 | C17 | C33 | H18 | 0.7° | 0.0° |
| C17 | C33 | C34 | C22 | 0.9° | 0.1° |
| C33 | C17 | C29 | C31 | 179.2° | 180.0° |
| C17 | C33 | C34 | H18 | 180.0° | 179.9° |
| C33 | C17 | C29 | H14 | 0.8° | 0.0° |
| C17 | C33 | C34 | H19 | 179.0° | 180.0° |
| C18 | C35 | C37 | C30 | 0.4° | 0.2° |
| C18 | C35 | C37 | H20 | 180.0° | 179.8° |
| C18 | C35 | C37 | H22 | 179.6° | 179.9° |
| C19 | N01 | RU01 | N02 | 86.7° | 88.2° |
| C19 | N01 | RU01 | N03 | 83.9° | 87.0° |
| C19 | N01 | RU01 | N04 | 112.6° | 158.2° |
| C19 | N01 | RU01 | N05 | 4.0° | 4.7° |
| C19 | N01 | RU01 | N06 | 177.8° | 180.0° |
| N01 | C19 | C15 | H04 | 178.0° | 179.9° |
| C20 | N06 | RU01 | N01 | 179.3° | 180.0° |
| C20 | N06 | RU01 | N02 | 92.3° | 88.0° |
| C20 | N06 | RU01 | N03 | 87.3° | 90.4° |
| C20 | N06 | RU01 | N04 | 16.5° | 1.9° |
| C20 | N06 | RU01 | N05 | 169.2° | 134.8° |
| N06 | C20 | C05 | H01 | 179.6° | 179.9° |
| C25 | C21 | C12 | H03 | 178.9° | 180.0° |
| C34 | C22 | N05 | H09 | 180.0° | 179.9° |
| C22 | C34 | C33 | H19 | 180.0° | 179.9° |
| C34 | C22 | N05 | RU01 | 178.5° | 178.3° |
| C22 | C34 | C33 | H18 | 179.1° | 180.0° |
| N05 | C22 | C34 | C33 | 1.0° | 0.1° |
| C22 | N05 | RU01 | N01 | 85.1° | 90.4° |
| C22 | N05 | RU01 | N02 | 3.5° | 2.0° |
| C22 | N05 | RU01 | N03 | 178.7° | 180.0° |
| C22 | N05 | RU01 | N04 | 79.2° | 88.1° |
| C22 | N05 | RU01 | N06 | 95.1° | 135.2° |
| N05 | C22 | C34 | H19 | 179.0° | 180.0° |
| C24 | C23 | C28 | C27 | 179.8° | 180.0° |
| C23 | C24 | C05 | H01 | 180.0° | 179.9° |
| C24 | C23 | C28 | H13 | 0.2° | 0.1° |
| C23 | C28 | C27 | H13 | 180.0° | 179.8° |
| C28 | C23 | C24 | H10 | 0.8° | 0.1° |
| C23 | C28 | C27 | H12 | 179.6° | 179.9° |
| C26 | C32 | C38 | H17 | 180.0° | 179.9° |
| C26 | C32 | C38 | C36 | 1.4° | 0.6° |
| C26 | C32 | C38 | H23 | 178.6° | 179.8° |
| C30 | C37 | C35 | H22 | 180.0° | 179.9° |
| C30 | C37 | C35 | H20 | 179.6° | 180.0° |
| C32 | C38 | C36 | H23 | 180.0° | 179.6° |
| C38 | C32 | C26 | H25 | 179.6° | 179.7° |
| C32 | C38 | C36 | H21 | 178.1° | 179.3° |
| C33 | C34 | C22 | H09 | 179.0° | 180.0° |
| C37 | C35 | C18 | H05 | 179.5° | 179.9° |
| C35 | C37 | C30 | H15 | 179.2° | 179.9° |
| C36 | C38 | C32 | H17 | 178.6° | 179.5° |
| N01 | RU01 | N02 | N03 | 104.1° | 115.3° |
| N01 | RU01 | N02 | N04 | 172.2° | 175.0° |
| N01 | RU01 | N02 | N05 | 91.1° | 93.0° |
| N01 | RU01 | N02 | N06 | 78.6° | 82.4° |
| N01 | RU01 | N03 | N04 | 175.0° | 175.2° |
| N01 | RU01 | N03 | N05 | 90.5° | 92.9° |
| N01 | RU01 | N03 | N06 | 79.0° | 82.4° |
| N01 | RU01 | N04 | N05 | 115.9° | 162.9° |
| N01 | RU01 | N04 | N06 | 63.1° | 21.6° |
| N01 | RU01 | N05 | N06 | 10.0° | 44.8° |
| RU01 | N01 | C19 | H06 | 2.2° | 1.7° |
| N01 | RU01 | N02 | H26 | 66.8° | 47.0° |
| N01 | RU01 | N04 | H24 | 96.7° | 68.6° |
| N01 | RU01 | N02 | H1 | 50.3° | 63.5° |
| N01 | RU01 | N04 | H2 | 145.9° | 179.1° |
| N02 | RU01 | N03 | N04 | 81.4° | 69.4° |
| N02 | RU01 | N03 | N05 | 13.2° | 22.4° |
| N02 | RU01 | N03 | N06 | 177.3° | 162.3° |
| N02 | RU01 | N04 | N05 | 89.0° | 92.7° |
| N02 | RU01 | N04 | N06 | 89.9° | 91.9° |
| N02 | RU01 | N05 | N06 | 98.6° | 137.1° |
| RU01 | N02 | H26 | H1 | 115.3° | 81.3° |
| N02 | RU01 | N04 | H24 | 123.5° | 138.9° |
| N02 | RU01 | N04 | H2 | 119.1° | 110.7° |
| N03 | RU01 | N04 | N05 | 81.1° | 82.4° |
| N03 | RU01 | N04 | N06 | 99.9° | 93.1° |
| N03 | RU01 | N05 | N06 | 83.6° | 44.9° |
| RU01 | N03 | C12 | H03 | 1.6° | 1.6° |
| N03 | RU01 | N02 | H26 | 37.3° | 68.3° |
| N03 | RU01 | N04 | H24 | 66.4° | 46.1° |
| N03 | RU01 | N02 | H1 | 154.4° | 178.8° |
| N03 | RU01 | N04 | H2 | 51.0° | 64.4° |
| N04 | RU01 | N05 | N06 | 174.3° | 136.8° |
| N04 | RU01 | N02 | H26 | 121.0° | 138.0° |
| RU01 | N04 | H24 | H2 | 115.9° | 81.0° |
| N04 | RU01 | N02 | H1 | 121.9° | 111.6° |
| RU01 | N05 | C22 | H09 | 1.5° | 1.6° |
| N05 | RU01 | N02 | H26 | 24.3° | 46.1° |
| N05 | RU01 | N04 | H24 | 147.5° | 128.5° |
| N05 | RU01 | N02 | H1 | 141.4° | 156.5° |
| N05 | RU01 | N04 | H2 | 30.0° | 18.0° |
| RU01 | N06 | C20 | H07 | 1.3° | 1.7° |
| N06 | RU01 | N02 | H26 | 145.3° | 129.4° |
| N06 | RU01 | N04 | H24 | 33.6° | 47.0° |
| N06 | RU01 | N02 | H1 | 28.2° | 19.0° |
| N06 | RU01 | N04 | H2 | 151.0° | 157.4° |
| H01 | C05 | C20 | H07 | 0.4° | 0.0° |
| H01 | C05 | C24 | H10 | 0.0° | 0.1° |
| H02 | C06 | C15 | H04 | 0.5° | 0.1° |
| H03 | C12 | C21 | H08 | 1.0° | 0.0° |
| H04 | C15 | C19 | H06 | 2.0° | 0.1° |
| H05 | C18 | C35 | H20 | 0.6° | 0.3° |
| H08 | C21 | C25 | H11 | 0.4° | 0.0° |
| H09 | C22 | C34 | H19 | 1.0° | 0.1° |
| H25 | C26 | C32 | H17 | 0.4° | 0.4° |
| H12 | C27 | C28 | H13 | 0.4° | 0.1° |
| H14 | C29 | C31 | H16 | 0.4° | 0.0° |
| H15 | C30 | C37 | H22 | 0.8° | 0.0° |
| H17 | C32 | C38 | H23 | 1.4° | 0.1° |
| H18 | C33 | C34 | H19 | 1.0° | 0.1° |
| H20 | C35 | C37 | H22 | 0.4° | 0.1° |
| H21 | C36 | C38 | H23 | 1.9° | 1.1° |






