A1EEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | N30 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| N30 | C02 | sing | 1.35Å | 1.42Å | |
| C32 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.50Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.48Å | |
| O29 | C06 | doub | 1.21Å | 1.20Å | |
| C06 | N07 | sing | 1.33Å | 1.44Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C35 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.47Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.38Å | 1.36Å | Aromatic |
| N03 | C13 | sing | 1.46Å | 1.45Å | |
| N07 | C13 | sing | 1.46Å | 1.42Å | |
| N07 | C08 | sing | 1.47Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C27 | sing | 1.50Å | 1.51Å | |
| C14 | N15 | sing | 1.46Å | 1.38Å | |
| C27 | N15 | sing | 1.32Å | 1.40Å | |
| C27 | O28 | doub | 1.21Å | 1.18Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C26 | sing | 1.36Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.36Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.36Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| N30 | H27 | sing | 0.97Å | 1.00Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C33 | C34 | C35 | 118.3° | 120.1° |
| C34 | C33 | H30 | 119.8° | 120.0° |
| C33 | C34 | H31 | 120.9° | 119.9° |
| C33 | C32 | C31 | 118.8° | 120.0° |
| C33 | C32 | C37 | 121.7° | 120.0° |
| C32 | C33 | H30 | 119.9° | 120.0° |
| N30 | C31 | C32 | 112.6° | 109.5° |
| C31 | N30 | C02 | 119.9° | 120.0° |
| C31 | N30 | H27 | 120.1° | 119.9° |
| N30 | C31 | H28 | 108.7° | 109.4° |
| N30 | C31 | H29 | 108.7° | 109.5° |
| C31 | C32 | C37 | 119.5° | 120.0° |
| C32 | C31 | H28 | 108.7° | 109.5° |
| C32 | C31 | H29 | 108.7° | 109.5° |
| C34 | C35 | C36 | 120.8° | 119.9° |
| C35 | C34 | H31 | 120.9° | 120.0° |
| C34 | C35 | H32 | 119.6° | 120.0° |
| N30 | C02 | O01 | 117.6° | 120.0° |
| N30 | C02 | N03 | 122.5° | 120.0° |
| C02 | N30 | H27 | 120.1° | 120.0° |
| C32 | C37 | C36 | 118.2° | 120.0° |
| C32 | C37 | H34 | 120.9° | 120.0° |
| C06 | C05 | C04 | 113.7° | 108.9° |
| C05 | C06 | O29 | 124.9° | 118.5° |
| C05 | C06 | N07 | 116.7° | 122.7° |
| C06 | C05 | H10 | 108.4° | 109.5° |
| C06 | C05 | H11 | 108.4° | 109.5° |
| C05 | C04 | N03 | 106.7° | 107.8° |
| C05 | C04 | H8 | 110.2° | 109.8° |
| C05 | C04 | H9 | 110.1° | 109.9° |
| C04 | C05 | H10 | 108.4° | 109.9° |
| C04 | C05 | H11 | 108.4° | 109.2° |
| O29 | C06 | N07 | 118.4° | 118.8° |
| C06 | N07 | C13 | 121.9° | 124.5° |
| C06 | N07 | C08 | 125.6° | 119.4° |
| O01 | C02 | N03 | 119.9° | 120.0° |
| C02 | N03 | C04 | 124.1° | 120.1° |
| C02 | N03 | C13 | 123.4° | 120.1° |
| C35 | C36 | C37 | 120.7° | 120.0° |
| C36 | C35 | H32 | 119.6° | 120.0° |
| C35 | C36 | H33 | 119.6° | 120.0° |
| C11 | C10 | C12 | 111.2° | 109.5° |
| C11 | C10 | C09 | 111.2° | 109.5° |
| C11 | C10 | H1 | 107.3° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.4° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C12 | C10 | C09 | 112.4° | 109.4° |
| C12 | C10 | H1 | 107.3° | 109.5° |
| C10 | C12 | H18 | 109.5° | 109.5° |
| C10 | C12 | H19 | 109.5° | 109.4° |
| C10 | C12 | H20 | 109.5° | 109.5° |
| C04 | N03 | C13 | 112.3° | 119.9° |
| N03 | C04 | H8 | 110.2° | 109.8° |
| N03 | C04 | H9 | 110.1° | 109.8° |
| C10 | C09 | C08 | 110.7° | 109.5° |
| C09 | C10 | H1 | 107.2° | 109.4° |
| C10 | C09 | H13 | 109.2° | 109.5° |
| C10 | C09 | H14 | 109.1° | 109.5° |
| C37 | C36 | H33 | 119.6° | 120.0° |
| C36 | C37 | H34 | 120.9° | 120.0° |
| N03 | C13 | N07 | 111.6° | 111.0° |
| N03 | C13 | C14 | 112.3° | 109.5° |
| N03 | C13 | H2 | 108.5° | 109.3° |
| C13 | N07 | C08 | 112.4° | 116.1° |
| N07 | C13 | C14 | 107.5° | 108.4° |
| N07 | C13 | H2 | 109.0° | 109.3° |
| N07 | C08 | C09 | 110.8° | 109.6° |
| N07 | C08 | C27 | 107.4° | 108.8° |
| N07 | C08 | H12 | 111.0° | 109.6° |
| C13 | C14 | N15 | 113.1° | 110.7° |
| C14 | C13 | H2 | 107.9° | 109.3° |
| C13 | C14 | H21 | 108.6° | 109.3° |
| C13 | C14 | H22 | 108.6° | 109.2° |
| C09 | C08 | C27 | 108.5° | 109.6° |
| C09 | C08 | H12 | 109.5° | 109.7° |
| C08 | C09 | H13 | 109.1° | 109.5° |
| C08 | C09 | H14 | 109.1° | 109.5° |
| C08 | C27 | N15 | 121.4° | 123.5° |
| C08 | C27 | O28 | 118.0° | 118.5° |
| C27 | C08 | H12 | 109.6° | 109.6° |
| C14 | N15 | C27 | 121.0° | 124.5° |
| C14 | N15 | C16 | 121.2° | 117.7° |
| N15 | C14 | H21 | 108.5° | 109.3° |
| N15 | C14 | H22 | 108.5° | 109.2° |
| N15 | C27 | O28 | 120.6° | 118.1° |
| C27 | N15 | C16 | 117.8° | 117.8° |
| N15 | C16 | C17 | 109.3° | 109.4° |
| N15 | C16 | H23 | 109.5° | 109.5° |
| N15 | C16 | H24 | 109.5° | 109.4° |
| C16 | C17 | C18 | 120.4° | 120.1° |
| C16 | C17 | C26 | 119.5° | 120.2° |
| C17 | C16 | H23 | 109.5° | 109.5° |
| C17 | C16 | H24 | 109.5° | 109.5° |
| C20 | C19 | C18 | 119.5° | 119.7° |
| C19 | C20 | C21 | 120.1° | 120.9° |
| C19 | C20 | H3 | 120.0° | 119.6° |
| C20 | C19 | H25 | 120.3° | 120.1° |
| C19 | C18 | C17 | 119.8° | 121.3° |
| C19 | C18 | C23 | 120.5° | 119.3° |
| C18 | C19 | H25 | 120.2° | 120.2° |
| C18 | C17 | C26 | 120.1° | 119.7° |
| C17 | C18 | C23 | 119.8° | 119.3° |
| C17 | C26 | C25 | 120.2° | 121.0° |
| C17 | C26 | H7 | 119.9° | 119.5° |
| C20 | C21 | C22 | 120.4° | 121.0° |
| C21 | C20 | H3 | 119.9° | 119.5° |
| C20 | C21 | H4 | 119.8° | 119.5° |
| C18 | C23 | C22 | 120.2° | 119.3° |
| C18 | C23 | C24 | 119.7° | 119.3° |
| C26 | C25 | C24 | 119.0° | 120.9° |
| C25 | C26 | H7 | 119.9° | 119.4° |
| C26 | C25 | H26 | 120.5° | 119.6° |
| C21 | C22 | C23 | 119.3° | 119.7° |
| C22 | C21 | H4 | 119.8° | 119.5° |
| C21 | C22 | H5 | 120.4° | 120.2° |
| C22 | C23 | C24 | 120.0° | 121.3° |
| C23 | C22 | H5 | 120.4° | 120.2° |
| C23 | C24 | C25 | 121.3° | 119.7° |
| C23 | C24 | H6 | 119.4° | 120.1° |
| C25 | C24 | H6 | 119.3° | 120.2° |
| C24 | C25 | H26 | 120.5° | 119.5° |
| H8 | C04 | H9 | 109.5° | 109.7° |
| H10 | C05 | H11 | 109.5° | 109.7° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.2° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H30 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 179.4° | 179.9° |
| C33 | C34 | C35 | H31 | 180.0° | 180.0° |
| C34 | C33 | C32 | C37 | 0.9° | 0.3° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | H32 | 179.8° | 180.0° |
| C33 | C32 | C31 | N30 | 112.6° | 89.8° |
| C33 | C32 | C31 | C37 | 179.7° | 179.7° |
| C32 | C33 | C34 | C35 | 0.7° | 0.1° |
| C33 | C32 | C37 | C36 | 0.5° | 0.5° |
| C33 | C32 | C31 | H28 | 127.0° | 150.3° |
| C33 | C32 | C31 | H29 | 7.9° | 30.2° |
| C32 | C33 | C34 | H31 | 179.2° | 180.0° |
| C33 | C32 | C37 | H34 | 179.5° | 179.7° |
| N30 | C31 | C32 | H28 | 120.5° | 119.9° |
| N30 | C31 | C32 | H29 | 120.5° | 120.0° |
| C31 | N30 | C02 | H27 | 180.0° | 179.9° |
| N30 | C31 | C32 | C37 | 67.7° | 90.0° |
| C31 | N30 | C02 | O01 | 1.4° | 5.0° |
| C31 | N30 | C02 | N03 | 179.7° | 175.0° |
| N30 | C31 | H28 | H29 | 118.5° | 120.0° |
| C32 | C31 | N30 | C02 | 104.8° | 180.0° |
| C31 | C32 | C37 | C36 | 179.8° | 179.8° |
| C32 | C31 | N30 | H27 | 75.2° | 0.1° |
| C32 | C31 | H28 | H29 | 118.6° | 120.0° |
| C31 | C32 | C33 | H30 | 0.6° | 0.0° |
| C31 | C32 | C37 | H34 | 0.2° | 0.0° |
| C34 | C35 | C36 | H32 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.2° | 0.2° |
| C35 | C34 | C33 | H30 | 179.3° | 180.0° |
| C34 | C35 | C36 | H33 | 179.8° | 179.9° |
| N30 | C02 | O01 | N03 | 179.0° | 180.0° |
| N30 | C02 | N03 | C04 | 4.2° | 174.7° |
| N30 | C02 | N03 | C13 | 178.6° | 5.2° |
| C02 | N30 | C31 | H28 | 15.6° | 60.1° |
| C02 | N30 | C31 | H29 | 134.7° | 60.0° |
| C32 | C37 | C36 | C35 | 0.1° | 0.5° |
| C32 | C37 | C36 | H34 | 180.0° | 179.8° |
| C37 | C32 | C31 | H28 | 52.7° | 30.0° |
| C37 | C32 | C31 | H29 | 171.8° | 150.0° |
| C37 | C32 | C33 | H30 | 179.1° | 179.8° |
| C32 | C37 | C36 | H33 | 179.9° | 179.7° |
| C06 | C05 | C04 | H10 | 120.6° | 120.0° |
| C06 | C05 | C04 | H11 | 120.6° | 119.6° |
| C05 | C06 | O29 | N07 | 178.4° | 179.7° |
| C06 | C05 | C04 | N03 | 49.2° | 50.8° |
| C05 | C06 | N07 | C13 | 2.4° | 2.5° |
| C05 | C06 | N07 | C08 | 177.3° | 176.6° |
| C06 | C05 | C04 | H8 | 168.8° | 68.8° |
| C06 | C05 | C04 | H9 | 70.3° | 170.5° |
| C06 | C05 | H10 | H11 | 118.0° | 120.3° |
| C04 | C05 | C06 | O29 | 164.1° | 151.5° |
| C04 | C05 | C06 | N07 | 17.4° | 28.1° |
| C05 | C04 | N03 | C02 | 104.3° | 123.3° |
| C05 | C04 | N03 | H8 | 119.6° | 119.6° |
| C05 | C04 | N03 | H9 | 119.5° | 119.7° |
| C05 | C04 | N03 | C13 | 70.7° | 56.7° |
| C05 | C04 | H8 | H9 | 121.3° | 120.8° |
| C04 | C05 | H10 | H11 | 118.1° | 120.1° |
| O29 | C06 | N07 | C13 | 179.0° | 177.2° |
| O29 | C06 | N07 | C08 | 4.1° | 3.8° |
| O29 | C06 | C05 | H10 | 75.2° | 31.3° |
| O29 | C06 | C05 | H11 | 43.5° | 89.1° |
| C06 | N07 | C13 | N03 | 19.8° | 1.7° |
| C06 | N07 | C13 | C08 | 175.5° | 179.1° |
| C06 | N07 | C13 | C14 | 103.7° | 118.7° |
| C06 | N07 | C08 | C09 | 121.3° | 103.2° |
| C06 | N07 | C08 | C27 | 120.4° | 137.0° |
| C06 | N07 | C13 | H2 | 139.6° | 122.3° |
| N07 | C06 | C05 | H10 | 103.2° | 148.4° |
| N07 | C06 | C05 | H11 | 138.0° | 91.3° |
| C06 | N07 | C08 | H12 | 0.5° | 17.2° |
| O01 | C02 | N03 | C04 | 176.9° | 5.2° |
| O01 | C02 | N03 | C13 | 2.5° | 174.8° |
| O01 | C02 | N30 | H27 | 178.6° | 175.1° |
| C02 | N03 | C04 | C13 | 175.0° | 180.0° |
| C02 | N03 | C13 | N07 | 119.4° | 149.1° |
| C02 | N03 | C13 | C14 | 119.8° | 91.2° |
| C02 | N03 | C13 | H2 | 0.7° | 28.5° |
| C02 | N03 | C04 | H8 | 15.2° | 117.1° |
| C02 | N03 | C04 | H9 | 136.1° | 3.6° |
| N03 | C02 | N30 | H27 | 0.4° | 4.9° |
| C35 | C36 | C37 | H33 | 180.0° | 179.9° |
| C36 | C35 | C34 | H31 | 179.8° | 180.0° |
| C35 | C36 | C37 | H34 | 179.9° | 179.8° |
| C11 | C10 | C12 | C09 | 125.4° | 120.0° |
| C11 | C10 | C12 | H1 | 117.0° | 120.1° |
| C11 | C10 | C09 | H1 | 117.0° | 120.0° |
| C11 | C10 | C09 | C08 | 169.6° | 175.0° |
| C11 | C10 | C09 | H13 | 70.2° | 65.0° |
| C11 | C10 | C09 | H14 | 49.4° | 55.0° |
| C10 | C11 | H15 | H16 | 120.0° | 119.9° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C10 | C12 | H18 | 180.0° | 180.0° |
| C11 | C10 | C12 | H19 | 60.0° | 60.0° |
| C11 | C10 | C12 | H20 | 60.0° | 59.9° |
| C12 | C10 | C09 | H1 | 117.6° | 120.0° |
| C12 | C10 | C09 | C08 | 65.1° | 65.0° |
| C12 | C10 | C09 | H13 | 55.1° | 55.0° |
| C12 | C10 | C09 | H14 | 174.8° | 175.0° |
| C12 | C10 | C11 | H15 | 180.0° | 60.0° |
| C12 | C10 | C11 | H16 | 60.0° | 60.0° |
| C12 | C10 | C11 | H17 | 60.0° | 180.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H20 | 120.0° | 119.9° |
| C04 | N03 | C13 | N07 | 55.6° | 30.8° |
| C04 | N03 | C13 | C14 | 65.1° | 88.9° |
| C04 | N03 | C13 | H2 | 175.7° | 151.5° |
| N03 | C04 | H8 | H9 | 121.3° | 120.8° |
| N03 | C04 | C05 | H10 | 71.4° | 170.8° |
| N03 | C04 | C05 | H11 | 169.9° | 68.8° |
| C10 | C09 | C08 | N07 | 74.2° | 65.0° |
| C10 | C09 | C08 | H13 | 120.2° | 120.0° |
| C10 | C09 | C08 | H14 | 120.2° | 120.0° |
| C10 | C09 | C08 | C27 | 168.2° | 175.7° |
| C10 | C09 | C08 | H12 | 48.6° | 55.4° |
| C10 | C09 | H13 | H14 | 119.4° | 120.0° |
| C09 | C10 | C11 | H15 | 54.0° | 60.0° |
| C09 | C10 | C11 | H16 | 66.1° | 180.0° |
| C09 | C10 | C11 | H17 | 174.0° | 60.0° |
| C09 | C10 | C12 | H18 | 54.6° | 60.0° |
| C09 | C10 | C12 | H19 | 174.6° | 180.0° |
| C09 | C10 | C12 | H20 | 65.4° | 60.1° |
| C37 | C36 | C35 | H32 | 179.8° | 179.9° |
| N03 | C13 | N07 | C14 | 123.5° | 120.3° |
| N03 | C13 | N07 | H2 | 119.8° | 120.6° |
| N03 | C13 | N07 | C08 | 164.7° | 177.4° |
| N03 | C13 | C14 | H2 | 119.5° | 119.7° |
| N03 | C13 | C14 | N15 | 170.5° | 168.1° |
| C13 | N03 | C04 | H8 | 169.8° | 62.9° |
| C13 | N03 | C04 | H9 | 48.9° | 176.4° |
| N03 | C13 | C14 | H21 | 69.0° | 71.5° |
| N03 | C13 | C14 | H22 | 49.9° | 47.8° |
| N07 | C13 | C14 | H2 | 117.4° | 119.0° |
| C13 | N07 | C08 | C09 | 63.3° | 76.0° |
| C13 | N07 | C08 | C27 | 55.0° | 43.8° |
| N07 | C13 | C14 | N15 | 47.4° | 46.8° |
| C13 | N07 | C08 | H12 | 174.8° | 163.6° |
| N07 | C13 | C14 | H21 | 167.9° | 167.2° |
| N07 | C13 | C14 | H22 | 73.1° | 73.4° |
| C08 | N07 | C13 | C14 | 71.8° | 62.3° |
| N07 | C08 | C09 | C27 | 117.6° | 119.3° |
| N07 | C08 | C09 | H12 | 122.8° | 120.3° |
| N07 | C08 | C27 | H12 | 120.7° | 119.8° |
| N07 | C08 | C27 | N15 | 18.3° | 13.4° |
| N07 | C08 | C27 | O28 | 160.3° | 167.0° |
| C08 | N07 | C13 | H2 | 44.8° | 56.8° |
| N07 | C08 | C09 | H13 | 165.6° | 175.0° |
| N07 | C08 | C09 | H14 | 46.0° | 55.0° |
| C13 | C14 | N15 | H21 | 120.5° | 120.4° |
| C13 | C14 | N15 | H22 | 120.6° | 120.3° |
| C13 | C14 | N15 | C27 | 13.9° | 20.9° |
| C13 | C14 | N15 | C16 | 165.2° | 158.5° |
| C13 | C14 | H21 | H22 | 118.4° | 119.4° |
| C09 | C08 | C27 | H12 | 119.5° | 120.4° |
| C09 | C08 | C27 | N15 | 101.5° | 106.4° |
| C09 | C08 | C27 | O28 | 80.0° | 73.2° |
| C08 | C09 | C10 | H1 | 52.5° | 55.0° |
| C08 | C09 | H13 | H14 | 119.4° | 120.0° |
| C08 | C27 | N15 | C14 | 0.8° | 3.8° |
| C08 | C27 | N15 | O28 | 178.5° | 179.6° |
| C08 | C27 | N15 | C16 | 180.0° | 175.5° |
| C27 | C08 | C09 | H13 | 48.0° | 55.7° |
| C27 | C08 | C09 | H14 | 71.7° | 64.3° |
| C14 | N15 | C27 | C16 | 179.1° | 179.4° |
| C14 | N15 | C27 | O28 | 179.3° | 176.6° |
| C14 | N15 | C16 | C17 | 58.2° | 95.6° |
| N15 | C14 | C13 | H2 | 70.0° | 72.2° |
| N15 | C14 | H21 | H22 | 118.3° | 119.4° |
| C14 | N15 | C16 | H23 | 61.8° | 24.5° |
| C14 | N15 | C16 | H24 | 178.1° | 144.5° |
| C27 | N15 | C16 | C17 | 121.0° | 85.0° |
| N15 | C27 | C08 | H12 | 139.0° | 133.3° |
| C27 | N15 | C14 | H21 | 134.4° | 141.3° |
| C27 | N15 | C14 | H22 | 106.7° | 99.4° |
| C27 | N15 | C16 | H23 | 119.1° | 154.9° |
| C27 | N15 | C16 | H24 | 1.0° | 34.9° |
| O28 | C27 | N15 | C16 | 1.5° | 4.1° |
| O28 | C27 | C08 | H12 | 39.6° | 47.2° |
| N15 | C16 | C17 | H23 | 120.0° | 120.0° |
| N15 | C16 | C17 | H24 | 120.0° | 119.9° |
| N15 | C16 | C17 | C18 | 75.0° | 81.0° |
| N15 | C16 | C17 | C26 | 105.5° | 98.8° |
| C16 | N15 | C14 | H21 | 44.7° | 38.1° |
| C16 | N15 | C14 | H22 | 74.2° | 81.2° |
| N15 | C16 | H23 | H24 | 120.1° | 119.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C16 | C17 | C18 | C26 | 179.5° | 179.8° |
| C16 | C17 | C18 | C23 | 179.5° | 179.7° |
| C16 | C17 | C26 | C25 | 179.1° | 179.7° |
| C16 | C17 | C26 | H7 | 0.9° | 0.2° |
| C17 | C16 | H23 | H24 | 120.1° | 120.1° |
| C20 | C19 | C18 | H25 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.9° | 180.0° |
| C19 | C20 | C21 | H3 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 0.7° | 0.1° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H4 | 179.7° | 179.9° |
| C19 | C18 | C17 | C23 | 179.2° | 179.9° |
| C19 | C18 | C17 | C26 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.1° |
| C19 | C18 | C23 | C22 | 0.4° | 0.0° |
| C19 | C18 | C23 | C24 | 179.4° | 180.0° |
| C18 | C19 | C20 | H3 | 179.3° | 180.0° |
| C18 | C17 | C26 | C25 | 1.4° | 0.1° |
| C17 | C18 | C23 | C22 | 179.6° | 179.9° |
| C17 | C18 | C23 | C24 | 0.3° | 0.1° |
| C18 | C17 | C26 | H7 | 178.6° | 180.0° |
| C18 | C17 | C16 | H23 | 165.0° | 39.0° |
| C18 | C17 | C16 | H24 | 45.0° | 159.1° |
| C17 | C18 | C19 | H25 | 0.1° | 0.1° |
| C26 | C17 | C18 | C23 | 1.0° | 0.1° |
| C17 | C26 | C25 | H7 | 180.0° | 180.0° |
| C17 | C26 | C25 | C24 | 1.1° | 0.1° |
| C26 | C17 | C16 | H23 | 14.5° | 141.1° |
| C26 | C17 | C16 | H24 | 134.5° | 21.1° |
| C17 | C26 | C25 | H26 | 178.9° | 180.0° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | H25 | 179.3° | 180.0° |
| C18 | C23 | C22 | C21 | 0.1° | 0.0° |
| C18 | C23 | C22 | C24 | 179.8° | 180.0° |
| C18 | C23 | C24 | C25 | 0.1° | 0.1° |
| C18 | C23 | C22 | H5 | 179.9° | 179.9° |
| C18 | C23 | C24 | H6 | 179.9° | 180.0° |
| C23 | C18 | C19 | H25 | 179.3° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.1° |
| C26 | C25 | C24 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | H6 | 179.7° | 180.0° |
| C21 | C22 | C23 | H5 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.8° | 180.0° |
| C22 | C21 | C20 | H3 | 179.7° | 179.9° |
| C22 | C23 | C24 | C25 | 179.9° | 179.9° |
| C23 | C22 | C21 | H4 | 180.0° | 180.0° |
| C22 | C23 | C24 | H6 | 0.0° | 0.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.9° |
| C24 | C23 | C22 | H5 | 0.2° | 0.0° |
| C23 | C24 | C25 | H26 | 179.7° | 180.0° |
| C24 | C25 | C26 | H7 | 178.9° | 179.9° |
| H1 | C10 | C09 | H13 | 172.7° | 175.0° |
| H1 | C10 | C09 | H14 | 67.6° | 65.0° |
| H1 | C10 | C11 | H15 | 63.0° | 180.0° |
| H1 | C10 | C11 | H16 | 177.0° | 60.1° |
| H1 | C10 | C11 | H17 | 57.0° | 60.0° |
| H1 | C10 | C12 | H18 | 63.0° | 60.0° |
| H1 | C10 | C12 | H19 | 57.1° | 60.1° |
| H1 | C10 | C12 | H20 | 177.0° | 180.0° |
| H2 | C13 | C14 | H21 | 50.5° | 48.2° |
| H2 | C13 | C14 | H22 | 169.4° | 167.5° |
| H3 | C20 | C21 | H4 | 0.3° | 0.0° |
| H3 | C20 | C19 | H25 | 0.7° | 0.1° |
| H4 | C21 | C22 | H5 | 0.0° | 0.1° |
| H6 | C24 | C25 | H26 | 0.3° | 0.1° |
| H7 | C26 | C25 | H26 | 1.1° | 0.0° |
| H8 | C04 | C05 | H10 | 48.2° | 51.2° |
| H8 | C04 | C05 | H11 | 70.6° | 171.6° |
| H9 | C04 | C05 | H10 | 169.0° | 69.5° |
| H9 | C04 | C05 | H11 | 50.3° | 50.9° |
| H12 | C08 | C09 | H13 | 71.6° | 64.6° |
| H12 | C08 | C09 | H14 | 168.8° | 175.4° |
| H15 | C11 | H16 | H17 | 119.9° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H27 | N30 | C31 | H28 | 164.4° | 120.0° |
| H27 | N30 | C31 | H29 | 45.3° | 120.0° |
| H30 | C33 | C34 | H31 | 0.8° | 0.0° |
| H31 | C34 | C35 | H32 | 0.2° | 0.1° |
| H32 | C35 | C36 | H33 | 0.2° | 0.0° |
| H33 | C36 | C37 | H34 | 0.1° | 0.1° |
