TWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C09 | sing | 1.50Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N14 | C12 | sing | 1.47Å | 1.45Å | |
| N14 | C15 | sing | 1.38Å | 1.38Å | |
| C09 | O10 | doub | 1.21Å | 1.22Å | |
| C09 | N08 | sing | 1.34Å | 1.40Å | |
| C12 | C17 | sing | 1.51Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C15 | N08 | sing | 1.38Å | 1.40Å | |
| C15 | N16 | doub | 1.30Å | 1.26Å | |
| N08 | C04 | sing | 1.47Å | 1.50Å | |
| C02 | O07 | sing | 1.43Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| CL33 | C32 | sing | 1.74Å | 1.84Å | |
| O07 | C06 | sing | 1.43Å | 1.44Å | |
| C32 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | N22 | sing | 1.40Å | 1.39Å | |
| N22 | C23 | sing | 1.40Å | 1.42Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | N27 | doub | 1.32Å | 1.33Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| N27 | C26 | sing | 1.32Å | 1.33Å | Aromatic |
| C26 | C29 | sing | 1.51Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | 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 | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| N14 | H27 | sing | 0.97Å | 1.00Å | |
| N16 | H28 | sing | 0.97Å | 1.00Å | |
| N22 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 113.1° | 109.7° |
| C13 | C12 | N14 | 106.2° | 109.5° |
| C13 | C12 | C17 | 110.6° | 109.8° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.4° |
| C12 | C13 | H18 | 109.5° | 109.4° |
| C09 | C11 | C12 | 111.4° | 110.1° |
| C11 | C09 | O10 | 119.3° | 118.7° |
| C11 | C09 | N08 | 117.5° | 122.6° |
| C09 | C11 | H14 | 109.0° | 109.3° |
| C09 | C11 | H15 | 109.0° | 109.3° |
| C11 | C12 | N14 | 101.8° | 107.8° |
| C11 | C12 | C17 | 113.7° | 109.7° |
| C12 | C11 | H14 | 109.0° | 109.8° |
| C12 | C11 | H15 | 109.0° | 109.1° |
| C12 | N14 | C15 | 121.5° | 116.5° |
| N14 | C12 | C17 | 110.9° | 110.3° |
| C12 | N14 | H27 | 119.3° | 121.7° |
| N14 | C15 | N08 | 114.3° | 117.7° |
| N14 | C15 | N16 | 124.9° | 121.2° |
| C15 | N14 | H27 | 119.2° | 121.7° |
| O10 | C09 | N08 | 123.2° | 118.7° |
| C09 | N08 | C15 | 122.5° | 121.2° |
| C09 | N08 | C04 | 119.3° | 119.4° |
| C12 | C17 | C18 | 119.8° | 120.0° |
| C12 | C17 | C32 | 124.2° | 119.9° |
| C02 | C03 | C04 | 107.9° | 109.2° |
| C03 | C02 | C01 | 113.1° | 109.5° |
| C03 | C02 | O07 | 108.6° | 109.4° |
| C03 | C02 | H6 | 109.3° | 109.5° |
| C02 | C03 | H7 | 109.8° | 109.5° |
| C02 | C03 | H8 | 109.9° | 109.5° |
| C03 | C04 | N08 | 115.2° | 109.5° |
| C03 | C04 | C05 | 112.0° | 109.0° |
| C04 | C03 | H7 | 109.9° | 109.5° |
| C04 | C03 | H8 | 109.8° | 109.5° |
| C03 | C04 | H9 | 105.0° | 109.6° |
| C01 | C02 | O07 | 105.7° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C01 | C02 | H6 | 109.4° | 109.5° |
| N08 | C15 | N16 | 120.8° | 121.2° |
| C15 | N08 | C04 | 118.2° | 119.4° |
| C15 | N16 | H28 | 112.0° | 120.0° |
| N08 | C04 | C05 | 113.0° | 109.5° |
| N08 | C04 | H9 | 105.5° | 109.6° |
| C02 | O07 | C06 | 114.3° | 114.1° |
| O07 | C02 | H6 | 110.5° | 109.4° |
| C04 | C05 | C06 | 110.1° | 109.2° |
| C05 | C04 | H9 | 105.0° | 109.5° |
| C04 | C05 | H10 | 109.3° | 109.5° |
| C04 | C05 | H11 | 109.3° | 109.5° |
| C18 | C17 | C32 | 115.9° | 120.1° |
| C17 | C18 | C19 | 121.4° | 120.1° |
| C17 | C18 | H19 | 119.3° | 119.9° |
| C17 | C32 | CL33 | 122.4° | 120.1° |
| C17 | C32 | C21 | 124.5° | 119.9° |
| C18 | C19 | C20 | 121.0° | 120.1° |
| C18 | C19 | H1 | 119.5° | 119.9° |
| C19 | C18 | H19 | 119.3° | 120.0° |
| CL33 | C32 | C21 | 113.1° | 120.1° |
| O07 | C06 | C05 | 111.6° | 109.4° |
| O07 | C06 | H12 | 109.0° | 109.5° |
| O07 | C06 | H13 | 109.0° | 109.5° |
| C32 | C21 | C20 | 117.1° | 119.9° |
| C32 | C21 | N22 | 120.2° | 120.0° |
| C06 | C05 | H10 | 109.3° | 109.6° |
| C06 | C05 | H11 | 109.3° | 109.5° |
| C05 | C06 | H12 | 108.9° | 109.5° |
| C05 | C06 | H13 | 108.9° | 109.4° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C20 | C19 | H1 | 119.5° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | N22 | 122.7° | 120.1° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C21 | N22 | C23 | 125.3° | 120.0° |
| C21 | N22 | H29 | 117.3° | 120.0° |
| N22 | C23 | C24 | 122.4° | 120.9° |
| N22 | C23 | C28 | 121.7° | 120.8° |
| C23 | N22 | H29 | 117.3° | 120.0° |
| C24 | C23 | C28 | 115.8° | 118.2° |
| C23 | C24 | N25 | 121.9° | 119.0° |
| C23 | C24 | H2 | 119.1° | 120.5° |
| C23 | C28 | N27 | 122.1° | 119.0° |
| C23 | C28 | H21 | 119.0° | 120.5° |
| C24 | N25 | C26 | 118.6° | 120.9° |
| N25 | C24 | H2 | 119.0° | 120.5° |
| C28 | N27 | C26 | 118.9° | 120.9° |
| N27 | C28 | H21 | 118.9° | 120.5° |
| N25 | C26 | N27 | 122.7° | 121.9° |
| N25 | C26 | C29 | 119.9° | 119.0° |
| N27 | C26 | C29 | 117.4° | 119.1° |
| C26 | C29 | C30 | 115.8° | 117.5° |
| C26 | C29 | C31 | 116.6° | 117.5° |
| C26 | C29 | H22 | 118.1° | 115.6° |
| C30 | C29 | C31 | 59.1° | 60.0° |
| C29 | C30 | C31 | 60.7° | 60.0° |
| C30 | C29 | H22 | 117.0° | 117.4° |
| C29 | C30 | H23 | 119.9° | 117.5° |
| C29 | C30 | H24 | 119.9° | 117.5° |
| C29 | C31 | C30 | 60.2° | 60.0° |
| C31 | C29 | H22 | 116.9° | 117.5° |
| C29 | C31 | H25 | 119.9° | 117.5° |
| C29 | C31 | H26 | 119.9° | 117.5° |
| C31 | C30 | H23 | 119.9° | 117.5° |
| C31 | C30 | H24 | 119.9° | 117.4° |
| C30 | C31 | H25 | 120.0° | 117.5° |
| C30 | C31 | H26 | 120.0° | 117.4° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.6° |
| H10 | C05 | H11 | 109.4° | 109.5° |
| H12 | C06 | H13 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.2° |
| H16 | C13 | H17 | 109.4° | 109.5° |
| H16 | C13 | H18 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 115.6° |
| H25 | C31 | H26 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | C09 | 168.4° | 164.9° |
| C13 | C12 | C11 | N14 | 113.5° | 119.2° |
| C13 | C12 | C11 | C17 | 127.3° | 120.7° |
| C13 | C12 | N14 | C17 | 120.2° | 120.9° |
| C13 | C12 | N14 | C15 | 179.5° | 175.8° |
| C13 | C12 | C17 | C18 | 109.9° | 119.3° |
| C13 | C12 | C17 | C32 | 70.2° | 60.1° |
| C13 | C12 | C11 | H14 | 48.1° | 44.5° |
| C13 | C12 | C11 | H15 | 71.3° | 75.2° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H18 | 120.0° | 119.9° |
| C13 | C12 | N14 | H27 | 0.6° | 4.3° |
| C09 | C11 | C12 | H14 | 120.3° | 120.4° |
| C09 | C11 | C12 | H15 | 120.3° | 120.0° |
| C09 | C11 | C12 | N14 | 54.9° | 45.7° |
| C11 | C09 | O10 | N08 | 179.7° | 180.0° |
| C09 | C11 | C12 | C17 | 64.4° | 74.5° |
| C11 | C09 | N08 | C15 | 0.3° | 3.1° |
| C11 | C09 | N08 | C04 | 179.2° | 176.9° |
| C09 | C11 | H14 | H15 | 119.1° | 119.6° |
| C11 | C12 | N14 | C17 | 121.3° | 119.8° |
| C11 | C12 | N14 | C15 | 62.0° | 56.5° |
| C12 | C11 | C09 | O10 | 149.5° | 157.3° |
| C12 | C11 | C09 | N08 | 30.1° | 22.6° |
| C11 | C12 | C17 | C18 | 18.6° | 120.0° |
| C11 | C12 | C17 | C32 | 161.3° | 60.6° |
| C12 | C11 | H14 | H15 | 119.1° | 119.6° |
| C11 | C12 | C13 | H16 | 180.0° | 60.0° |
| C11 | C12 | C13 | H17 | 60.0° | 180.0° |
| C11 | C12 | C13 | H18 | 60.0° | 60.0° |
| C11 | C12 | N14 | H27 | 118.0° | 123.6° |
| C12 | N14 | C15 | H27 | 180.0° | 179.9° |
| C12 | N14 | C15 | N08 | 34.9° | 38.5° |
| C12 | N14 | C15 | N16 | 144.4° | 141.2° |
| N14 | C12 | C17 | C18 | 132.6° | 1.4° |
| N14 | C12 | C17 | C32 | 47.3° | 179.2° |
| N14 | C12 | C11 | H14 | 65.4° | 74.7° |
| N14 | C12 | C11 | H15 | 175.2° | 165.6° |
| N14 | C12 | C13 | H16 | 69.2° | 178.1° |
| N14 | C12 | C13 | H17 | 50.7° | 61.8° |
| N14 | C12 | C13 | H18 | 170.8° | 58.1° |
| N14 | C15 | N08 | C09 | 0.5° | 9.8° |
| C15 | N14 | C12 | C17 | 59.3° | 63.3° |
| N14 | C15 | N08 | N16 | 179.3° | 179.7° |
| N14 | C15 | N08 | C04 | 179.0° | 170.3° |
| N14 | C15 | N16 | H28 | 179.2° | 174.0° |
| O10 | C09 | N08 | C15 | 180.0° | 176.8° |
| O10 | C09 | N08 | C04 | 0.5° | 3.1° |
| O10 | C09 | C11 | H14 | 90.2° | 82.0° |
| O10 | C09 | C11 | H15 | 29.3° | 37.5° |
| C09 | N08 | C04 | C03 | 67.8° | 55.8° |
| C09 | N08 | C15 | C04 | 179.5° | 179.9° |
| C09 | N08 | C15 | N16 | 179.8° | 170.0° |
| C09 | N08 | C04 | C05 | 62.7° | 63.7° |
| C09 | N08 | C04 | H9 | 176.9° | 176.1° |
| N08 | C09 | C11 | H14 | 90.1° | 98.0° |
| N08 | C09 | C11 | H15 | 150.4° | 142.5° |
| C12 | C17 | C18 | C32 | 179.9° | 179.4° |
| C12 | C17 | C18 | C19 | 179.9° | 180.0° |
| C12 | C17 | C32 | CL33 | 0.2° | 0.3° |
| C12 | C17 | C32 | C21 | 179.8° | 179.7° |
| C17 | C12 | C11 | H14 | 175.4° | 165.2° |
| C17 | C12 | C11 | H15 | 55.9° | 45.5° |
| C17 | C12 | C13 | H16 | 51.1° | 60.7° |
| C17 | C12 | C13 | H17 | 171.1° | 59.4° |
| C17 | C12 | C13 | H18 | 68.9° | 179.3° |
| C12 | C17 | C18 | H19 | 0.1° | 0.0° |
| C17 | C12 | N14 | H27 | 120.7° | 116.6° |
| C02 | C03 | C04 | H7 | 119.7° | 119.9° |
| C02 | C03 | C04 | H8 | 119.8° | 119.9° |
| C03 | C02 | C01 | O07 | 118.8° | 120.0° |
| C03 | C02 | C01 | H6 | 122.2° | 120.1° |
| C02 | C03 | C04 | N08 | 173.2° | 176.8° |
| C03 | C02 | O07 | H6 | 119.9° | 120.0° |
| C02 | C03 | C04 | C05 | 55.9° | 57.0° |
| C03 | C02 | O07 | C06 | 63.7° | 61.2° |
| C03 | C02 | C01 | H3 | 180.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.0° |
| C03 | C02 | C01 | H5 | 60.0° | 179.9° |
| C02 | C03 | H7 | H8 | 120.7° | 120.1° |
| C02 | C03 | C04 | H9 | 57.6° | 62.9° |
| C04 | C03 | C02 | C01 | 177.2° | 177.6° |
| C03 | C04 | N08 | C15 | 112.7° | 124.2° |
| C03 | C04 | N08 | C05 | 130.5° | 119.5° |
| C03 | C04 | N08 | H9 | 115.4° | 120.2° |
| C04 | C03 | C02 | O07 | 60.1° | 57.6° |
| C03 | C04 | C05 | H9 | 113.5° | 119.9° |
| C03 | C04 | C05 | C06 | 50.6° | 57.0° |
| C04 | C03 | C02 | H6 | 60.5° | 62.3° |
| C04 | C03 | H7 | H8 | 120.7° | 120.2° |
| C03 | C04 | C05 | H10 | 170.8° | 176.9° |
| C03 | C04 | C05 | H11 | 69.5° | 62.9° |
| C01 | C02 | O07 | H6 | 118.3° | 120.0° |
| C01 | C02 | O07 | C06 | 174.6° | 178.8° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C01 | C02 | C03 | H7 | 63.0° | 62.5° |
| C01 | C02 | C03 | H8 | 57.5° | 57.7° |
| C15 | N08 | C04 | C05 | 116.8° | 116.2° |
| C15 | N08 | C04 | H9 | 2.7° | 4.0° |
| N08 | C15 | N14 | H27 | 145.1° | 141.6° |
| N08 | C15 | N16 | H28 | 0.0° | 5.7° |
| N16 | C15 | N08 | C04 | 0.3° | 10.0° |
| N16 | C15 | N14 | H27 | 35.6° | 38.7° |
| N08 | C04 | C05 | H9 | 114.5° | 120.3° |
| N08 | C04 | C05 | C06 | 177.3° | 176.8° |
| N08 | C04 | C03 | H7 | 53.4° | 63.3° |
| N08 | C04 | C03 | H8 | 67.0° | 56.9° |
| N08 | C04 | C05 | H10 | 57.2° | 63.2° |
| N08 | C04 | C05 | H11 | 62.6° | 56.9° |
| C02 | O07 | C06 | C05 | 58.4° | 61.2° |
| O07 | C02 | C01 | H3 | 61.2° | 60.0° |
| O07 | C02 | C01 | H4 | 58.8° | 180.0° |
| O07 | C02 | C01 | H5 | 178.8° | 60.0° |
| O07 | C02 | C03 | H7 | 179.9° | 177.5° |
| O07 | C02 | C03 | H8 | 59.6° | 62.3° |
| C02 | O07 | C06 | H12 | 178.7° | 58.8° |
| C02 | O07 | C06 | H13 | 61.9° | 178.9° |
| C04 | C05 | C06 | O07 | 49.8° | 57.6° |
| C04 | C05 | C06 | H10 | 120.1° | 119.9° |
| C04 | C05 | C06 | H11 | 120.1° | 119.9° |
| C05 | C04 | C03 | H7 | 175.6° | 176.9° |
| C05 | C04 | C03 | H8 | 63.9° | 62.9° |
| C04 | C05 | H10 | H11 | 119.7° | 120.1° |
| C04 | C05 | C06 | H12 | 170.1° | 62.4° |
| C04 | C05 | C06 | H13 | 70.6° | 177.6° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C32 | CL33 | 179.9° | 179.7° |
| C18 | C17 | C32 | C21 | 0.1° | 0.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H1 | 179.9° | 179.7° |
| C32 | C17 | C18 | C19 | 0.0° | 0.6° |
| C17 | C32 | CL33 | C21 | 180.0° | 179.4° |
| C17 | C32 | C21 | C20 | 0.0° | 0.6° |
| C17 | C32 | C21 | N22 | 179.5° | 180.0° |
| C32 | C17 | C18 | H19 | 180.0° | 179.4° |
| C18 | C19 | C20 | H1 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.2° | 0.2° |
| C18 | C19 | C20 | H20 | 179.8° | 179.7° |
| CL33 | C32 | C21 | C20 | 180.0° | 179.9° |
| CL33 | C32 | C21 | N22 | 0.5° | 0.6° |
| O07 | C06 | C05 | H12 | 120.3° | 120.0° |
| O07 | C06 | C05 | H13 | 120.4° | 120.0° |
| C06 | O07 | C02 | H6 | 56.3° | 58.8° |
| O07 | C06 | C05 | H10 | 169.9° | 177.5° |
| O07 | C06 | C05 | H11 | 70.3° | 62.3° |
| O07 | C06 | H12 | H13 | 119.1° | 120.1° |
| C32 | C21 | C20 | C19 | 0.2° | 0.1° |
| C32 | C21 | C20 | N22 | 179.5° | 179.4° |
| C32 | C21 | N22 | C23 | 174.0° | 173.6° |
| C32 | C21 | C20 | H20 | 179.9° | 180.0° |
| C32 | C21 | N22 | H29 | 6.0° | 6.4° |
| C06 | C05 | C04 | H9 | 62.8° | 62.9° |
| C06 | C05 | H10 | H11 | 119.7° | 120.2° |
| C05 | C06 | H12 | H13 | 119.0° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | N22 | 179.3° | 179.5° |
| C20 | C19 | C18 | H19 | 179.9° | 180.0° |
| C20 | C21 | N22 | C23 | 5.5° | 7.0° |
| C21 | C20 | C19 | H1 | 179.8° | 180.0° |
| C20 | C21 | N22 | H29 | 174.5° | 173.0° |
| C21 | N22 | C23 | H29 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 80.2° | 137.4° |
| C21 | N22 | C23 | C28 | 97.5° | 42.8° |
| N22 | C21 | C20 | H20 | 0.6° | 0.6° |
| N22 | C23 | C24 | C28 | 177.8° | 179.8° |
| N22 | C23 | C24 | N25 | 179.6° | 179.7° |
| N22 | C23 | C28 | N27 | 179.5° | 179.7° |
| N22 | C23 | C24 | H2 | 0.4° | 0.3° |
| N22 | C23 | C28 | H21 | 0.5° | 0.2° |
| C23 | C24 | N25 | H2 | 180.0° | 180.0° |
| C24 | C23 | C28 | N27 | 1.7° | 0.1° |
| C23 | C24 | N25 | C26 | 1.6° | 0.0° |
| C24 | C23 | C28 | H21 | 178.3° | 180.0° |
| C24 | C23 | N22 | H29 | 99.8° | 42.5° |
| C28 | C23 | C24 | N25 | 1.8° | 0.0° |
| C23 | C28 | N27 | H21 | 180.0° | 179.9° |
| C23 | C28 | N27 | C26 | 1.5° | 0.1° |
| C28 | C23 | C24 | H2 | 178.3° | 179.9° |
| C28 | C23 | N22 | H29 | 82.5° | 137.2° |
| C24 | N25 | C26 | N27 | 1.3° | 0.1° |
| C24 | N25 | C26 | C29 | 179.1° | 180.0° |
| C28 | N27 | C26 | N25 | 1.3° | 0.1° |
| C28 | N27 | C26 | C29 | 179.2° | 180.0° |
| N25 | C26 | N27 | C29 | 179.5° | 179.9° |
| N25 | C26 | C29 | C30 | 38.2° | 120.0° |
| N25 | C26 | C29 | C31 | 104.9° | 171.4° |
| C26 | N25 | C24 | H2 | 178.4° | 179.9° |
| N25 | C26 | C29 | H22 | 108.0° | 25.6° |
| N27 | C26 | C29 | C30 | 142.3° | 60.0° |
| N27 | C26 | C29 | C31 | 75.6° | 8.6° |
| C26 | N27 | C28 | H21 | 178.5° | 180.0° |
| N27 | C26 | C29 | H22 | 71.6° | 154.4° |
| C26 | C29 | C30 | C31 | 106.8° | 107.5° |
| C26 | C29 | C30 | H22 | 146.5° | 145.0° |
| C26 | C29 | C31 | H22 | 147.5° | 145.1° |
| C26 | C29 | C30 | H23 | 143.5° | 145.0° |
| C26 | C29 | C30 | H24 | 2.8° | 0.0° |
| C26 | C29 | C31 | H25 | 4.0° | 0.1° |
| C26 | C29 | C31 | H26 | 144.9° | 145.1° |
| C30 | C29 | C31 | H22 | 106.9° | 107.4° |
| C29 | C30 | C31 | H23 | 109.7° | 107.5° |
| C29 | C30 | C31 | H24 | 109.7° | 107.5° |
| C29 | C30 | H23 | H24 | 144.4° | 145.7° |
| C30 | C29 | C31 | H25 | 109.5° | 107.5° |
| C30 | C29 | C31 | H26 | 109.5° | 107.5° |
| C29 | C31 | H25 | H26 | 144.6° | 145.7° |
| C31 | C30 | H23 | H24 | 144.3° | 145.7° |
| C30 | C31 | H25 | H26 | 144.7° | 145.7° |
| H1 | C19 | C18 | H19 | 0.1° | 0.3° |
| H1 | C19 | C20 | H20 | 0.2° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H3 | C01 | C02 | H6 | 57.8° | 179.9° |
| H4 | C01 | C02 | H6 | 177.8° | 60.0° |
| H5 | C01 | C02 | H6 | 62.1° | 60.0° |
| H6 | C02 | C03 | H7 | 59.2° | 57.6° |
| H6 | C02 | C03 | H8 | 179.7° | 177.8° |
| H7 | C03 | C04 | H9 | 62.2° | 57.0° |
| H8 | C03 | C04 | H9 | 177.3° | 177.2° |
| H9 | C04 | C05 | H10 | 57.3° | 57.0° |
| H9 | C04 | C05 | H11 | 177.0° | 177.2° |
| H10 | C05 | C06 | H12 | 69.8° | 57.5° |
| H10 | C05 | C06 | H13 | 49.6° | 62.5° |
| H11 | C05 | C06 | H12 | 50.0° | 177.7° |
| H11 | C05 | C06 | H13 | 169.3° | 57.7° |
| H16 | C13 | H17 | H18 | 119.9° | 120.0° |
| H22 | C29 | C30 | H23 | 3.0° | 0.1° |
| H22 | C29 | C30 | H24 | 143.7° | 145.0° |
| H22 | C29 | C31 | H25 | 143.6° | 145.1° |
| H22 | C29 | C31 | H26 | 2.7° | 0.1° |
| H23 | C30 | C31 | H25 | 140.8° | 145.0° |
| H23 | C30 | C31 | H26 | 0.2° | 0.0° |
| H24 | C30 | C31 | H25 | 0.2° | 0.0° |
| H24 | C30 | C31 | H26 | 140.9° | 145.1° |
