UZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N06 | sing | 1.47Å | 1.33Å | |
| C07 | C08 | sing | 1.51Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | N06 | sing | 1.47Å | 1.33Å | |
| F34 | C33 | sing | 1.35Å | 1.36Å | |
| C36 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| N06 | C05 | sing | 1.47Å | 1.32Å | |
| C08 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C32 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.40Å | 1.47Å | |
| C26 | N25 | sing | 1.47Å | 1.46Å | |
| N12 | C29 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.50Å | 1.53Å | |
| N25 | C24 | sing | 1.39Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.58Å | |
| C16 | N19 | sing | 1.47Å | 1.42Å | |
| C30 | O31 | doub | 1.21Å | 1.20Å | |
| C30 | N28 | sing | 1.34Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C27 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C27 | C20 | sing | 1.39Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| N28 | C14 | sing | 1.46Å | 1.44Å | |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| N19 | C20 | sing | 1.39Å | 1.47Å | |
| N19 | C18 | sing | 1.47Å | 1.38Å | |
| C20 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| N23 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N21 | C22 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| N25 | H38 | sing | 0.97Å | 1.00Å | |
| N28 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C07 | C08 | 107.7° | 109.4° |
| C07 | N06 | C35 | 105.1° | 111.0° |
| C07 | N06 | C05 | 109.7° | 111.1° |
| N06 | C07 | H22 | 109.9° | 109.5° |
| N06 | C07 | H23 | 109.9° | 109.5° |
| C07 | C08 | C33 | 120.6° | 119.9° |
| C07 | C08 | C09 | 118.8° | 119.9° |
| C08 | C07 | H22 | 109.9° | 109.4° |
| C08 | C07 | H23 | 109.9° | 109.5° |
| C36 | C35 | N06 | 114.2° | 109.6° |
| C35 | C36 | C02 | 108.0° | 109.3° |
| C36 | C35 | H33 | 108.3° | 109.5° |
| C36 | C35 | H34 | 108.3° | 109.5° |
| C35 | C36 | H35 | 109.8° | 109.5° |
| C35 | C36 | H36 | 109.9° | 109.5° |
| C35 | N06 | C05 | 112.7° | 111.2° |
| N06 | C35 | H33 | 108.3° | 109.4° |
| N06 | C35 | H34 | 108.3° | 109.5° |
| F34 | C33 | C08 | 121.6° | 120.0° |
| F34 | C33 | C32 | 117.9° | 120.0° |
| C36 | C02 | C01 | 107.5° | 109.5° |
| C36 | C02 | C04 | 109.3° | 109.2° |
| C36 | C02 | C03 | 109.7° | 109.6° |
| C02 | C36 | H35 | 109.9° | 109.5° |
| C02 | C36 | H36 | 109.8° | 109.5° |
| C01 | C02 | C04 | 113.3° | 109.5° |
| C01 | C02 | C03 | 110.7° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| N06 | C05 | C04 | 113.1° | 109.6° |
| N06 | C05 | H20 | 108.6° | 109.5° |
| N06 | C05 | H21 | 108.5° | 109.4° |
| C33 | C08 | C09 | 120.5° | 120.1° |
| C08 | C33 | C32 | 120.5° | 120.1° |
| C08 | C09 | C10 | 119.3° | 120.1° |
| C08 | C09 | H24 | 120.4° | 120.0° |
| C33 | C32 | C11 | 118.9° | 119.9° |
| C33 | C32 | H32 | 120.5° | 120.1° |
| C09 | C10 | C11 | 118.7° | 119.9° |
| C09 | C10 | H1 | 120.7° | 120.0° |
| C10 | C09 | H24 | 120.4° | 120.0° |
| C05 | C04 | C02 | 108.7° | 109.3° |
| C05 | C04 | H18 | 109.7° | 109.5° |
| C05 | C04 | H19 | 109.6° | 109.5° |
| C04 | C05 | H20 | 108.6° | 109.5° |
| C04 | C05 | H21 | 108.5° | 109.5° |
| C04 | C02 | C03 | 106.4° | 109.5° |
| C02 | C04 | H18 | 109.7° | 109.6° |
| C02 | C04 | H19 | 109.7° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.4° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C32 | C11 | C10 | 122.1° | 119.9° |
| C32 | C11 | N12 | 117.2° | 120.1° |
| C11 | C32 | H32 | 120.5° | 120.0° |
| C10 | C11 | N12 | 120.7° | 120.0° |
| C11 | C10 | H1 | 120.6° | 120.1° |
| C11 | N12 | C29 | 116.7° | 111.0° |
| C11 | N12 | C13 | 110.7° | 111.0° |
| C26 | N25 | C24 | 123.4° | 120.0° |
| N25 | C26 | H9 | 109.5° | 109.5° |
| N25 | C26 | H10 | 109.4° | 109.4° |
| N25 | C26 | H11 | 109.4° | 109.5° |
| C26 | N25 | H38 | 105.9° | 120.0° |
| C29 | N12 | C13 | 117.7° | 110.2° |
| N12 | C29 | C30 | 108.9° | 110.0° |
| N12 | C29 | H30 | 109.6° | 109.4° |
| N12 | C29 | H31 | 109.6° | 109.4° |
| N12 | C13 | C14 | 109.9° | 108.7° |
| N12 | C13 | H2 | 109.3° | 109.6° |
| N12 | C13 | H3 | 109.3° | 109.6° |
| C29 | C30 | O31 | 119.6° | 118.6° |
| C29 | C30 | N28 | 121.0° | 122.8° |
| C30 | C29 | H30 | 109.6° | 109.4° |
| C30 | C29 | H31 | 109.6° | 109.4° |
| N25 | C24 | C27 | 119.9° | 120.5° |
| N25 | C24 | N23 | 120.0° | 120.5° |
| C24 | N25 | H38 | 105.9° | 120.0° |
| C16 | C15 | C14 | 114.4° | 109.2° |
| C15 | C16 | N19 | 113.0° | 109.6° |
| C16 | C15 | H4 | 108.2° | 109.5° |
| C16 | C15 | H5 | 108.2° | 109.6° |
| C15 | C16 | H25 | 108.6° | 109.4° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| C15 | C14 | C13 | 95.8° | 109.4° |
| C15 | C14 | N28 | 97.0° | 109.5° |
| C15 | C14 | C17 | 113.2° | 109.1° |
| C14 | C15 | H4 | 108.2° | 109.5° |
| C14 | C15 | H5 | 108.2° | 109.5° |
| C16 | N19 | C20 | 121.7° | 111.0° |
| C16 | N19 | C18 | 122.2° | 111.2° |
| N19 | C16 | H25 | 108.6° | 109.4° |
| N19 | C16 | H26 | 108.6° | 109.5° |
| O31 | C30 | N28 | 119.4° | 118.6° |
| C30 | N28 | C14 | 122.8° | 122.9° |
| C30 | N28 | H39 | 118.6° | 118.5° |
| C13 | C14 | N28 | 114.2° | 109.9° |
| C13 | C14 | C17 | 132.9° | 109.3° |
| C14 | C13 | H2 | 109.4° | 109.6° |
| C14 | C13 | H3 | 109.3° | 109.6° |
| C24 | C27 | C20 | 119.3° | 118.3° |
| C27 | C24 | N23 | 120.2° | 119.0° |
| C24 | C27 | H29 | 120.3° | 120.8° |
| C27 | C20 | N19 | 121.6° | 120.5° |
| C27 | C20 | N21 | 120.8° | 119.0° |
| C20 | C27 | H29 | 120.3° | 120.9° |
| C24 | N23 | C22 | 119.5° | 120.9° |
| N28 | C14 | C17 | 98.8° | 109.5° |
| C14 | N28 | H39 | 118.6° | 118.6° |
| C14 | C17 | C18 | 116.7° | 109.2° |
| C14 | C17 | H6 | 107.6° | 109.5° |
| C14 | C17 | H7 | 107.6° | 109.5° |
| C20 | N19 | C18 | 116.0° | 111.0° |
| N19 | C20 | N21 | 117.7° | 120.5° |
| N19 | C18 | C17 | 115.3° | 109.5° |
| N19 | C18 | H27 | 108.0° | 109.5° |
| N19 | C18 | H28 | 108.0° | 109.5° |
| C20 | N21 | C22 | 119.2° | 120.9° |
| N23 | C22 | N21 | 121.0° | 121.9° |
| N23 | C22 | H8 | 119.5° | 119.1° |
| C18 | C17 | H6 | 107.6° | 109.5° |
| C18 | C17 | H7 | 107.6° | 109.5° |
| C17 | C18 | H27 | 108.0° | 109.4° |
| C17 | C18 | H28 | 108.0° | 109.4° |
| N21 | C22 | H8 | 119.5° | 119.0° |
| H2 | C13 | H3 | 109.5° | 109.7° |
| H4 | C15 | H5 | 109.5° | 109.6° |
| H6 | C17 | H7 | 109.5° | 109.6° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H17 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H18 | C04 | H19 | 109.5° | 109.5° |
| H20 | C05 | H21 | 109.5° | 109.4° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.3° |
| H33 | C35 | H34 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | C08 | H22 | 119.7° | 120.0° |
| N06 | C07 | C08 | H23 | 119.7° | 120.0° |
| C07 | N06 | C35 | C36 | 177.9° | 174.1° |
| C07 | N06 | C35 | C05 | 119.4° | 124.1° |
| N06 | C07 | C08 | C33 | 103.6° | 80.0° |
| N06 | C07 | C08 | C09 | 75.4° | 99.2° |
| C07 | N06 | C05 | C04 | 179.7° | 174.2° |
| C07 | N06 | C05 | H20 | 59.2° | 65.8° |
| C07 | N06 | C05 | H21 | 59.7° | 54.1° |
| N06 | C07 | H22 | H23 | 120.8° | 120.1° |
| C07 | N06 | C35 | H33 | 57.2° | 54.1° |
| C07 | N06 | C35 | H34 | 61.4° | 65.8° |
| C08 | C07 | N06 | C35 | 172.9° | 170.0° |
| C07 | C08 | C33 | F34 | 1.1° | 0.7° |
| C08 | C07 | N06 | C05 | 65.6° | 65.8° |
| C07 | C08 | C33 | C09 | 179.1° | 179.3° |
| C07 | C08 | C33 | C32 | 178.9° | 180.0° |
| C07 | C08 | C09 | C10 | 179.8° | 179.7° |
| C08 | C07 | H22 | H23 | 120.8° | 120.0° |
| C07 | C08 | C09 | H24 | 0.2° | 0.2° |
| C36 | C35 | N06 | H33 | 120.7° | 120.0° |
| C36 | C35 | N06 | H34 | 120.7° | 120.1° |
| C35 | C36 | C02 | H35 | 119.8° | 119.9° |
| C35 | C36 | C02 | H36 | 119.8° | 120.0° |
| C35 | C36 | C02 | C01 | 75.3° | 62.3° |
| C36 | C35 | N06 | C05 | 62.7° | 61.7° |
| C35 | C36 | C02 | C04 | 48.1° | 57.6° |
| C35 | C36 | C02 | C03 | 164.3° | 177.5° |
| C36 | C35 | H33 | H34 | 117.8° | 120.0° |
| C35 | C36 | H35 | H36 | 120.7° | 120.2° |
| N06 | C35 | C36 | C02 | 54.6° | 59.2° |
| C35 | N06 | C05 | C04 | 63.5° | 61.7° |
| C35 | N06 | C05 | H20 | 175.9° | 58.3° |
| C35 | N06 | C05 | H21 | 57.0° | 178.2° |
| C35 | N06 | C07 | H22 | 53.2° | 70.0° |
| C35 | N06 | C07 | H23 | 67.4° | 50.0° |
| N06 | C35 | H33 | H34 | 117.9° | 119.9° |
| N06 | C35 | C36 | H35 | 174.4° | 60.7° |
| N06 | C35 | C36 | H36 | 65.2° | 179.1° |
| F34 | C33 | C08 | C32 | 180.0° | 179.2° |
| F34 | C33 | C08 | C09 | 179.8° | 180.0° |
| F34 | C33 | C32 | C11 | 179.2° | 179.7° |
| F34 | C33 | C32 | H32 | 0.8° | 0.3° |
| C36 | C02 | C01 | C04 | 120.8° | 119.7° |
| C36 | C02 | C01 | C03 | 119.8° | 120.2° |
| C36 | C02 | C04 | C05 | 49.6° | 57.6° |
| C36 | C02 | C04 | C03 | 118.3° | 120.0° |
| C36 | C02 | C01 | H12 | 180.0° | 59.7° |
| C36 | C02 | C01 | H13 | 60.0° | 60.3° |
| C36 | C02 | C01 | H14 | 60.0° | 179.7° |
| C36 | C02 | C03 | H15 | 180.0° | 60.2° |
| C36 | C02 | C03 | H16 | 60.0° | 59.8° |
| C36 | C02 | C03 | H17 | 60.0° | 179.8° |
| C36 | C02 | C04 | H18 | 70.3° | 177.6° |
| C36 | C02 | C04 | H19 | 169.5° | 62.3° |
| C02 | C36 | C35 | H33 | 175.3° | 179.2° |
| C02 | C36 | C35 | H34 | 66.1° | 60.9° |
| C02 | C36 | H35 | H36 | 120.7° | 120.1° |
| C01 | C02 | C04 | C05 | 70.2° | 62.3° |
| C01 | C02 | C04 | C03 | 121.9° | 120.1° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 61.6° | 60.0° |
| C01 | C02 | C03 | H16 | 58.5° | 180.0° |
| C01 | C02 | C03 | H17 | 178.4° | 60.0° |
| C01 | C02 | C04 | H18 | 169.9° | 57.7° |
| C01 | C02 | C04 | H19 | 49.7° | 177.8° |
| C01 | C02 | C36 | H35 | 44.5° | 177.8° |
| C01 | C02 | C36 | H36 | 165.0° | 57.7° |
| N06 | C05 | C04 | H20 | 120.6° | 120.0° |
| N06 | C05 | C04 | H21 | 120.5° | 120.0° |
| N06 | C05 | C04 | C02 | 56.9° | 59.2° |
| N06 | C05 | C04 | H18 | 63.0° | 179.2° |
| N06 | C05 | C04 | H19 | 176.8° | 60.8° |
| N06 | C05 | H20 | H21 | 118.3° | 119.9° |
| C05 | N06 | C07 | H22 | 174.6° | 54.1° |
| C05 | N06 | C07 | H23 | 54.1° | 174.2° |
| C05 | N06 | C35 | H33 | 176.6° | 178.2° |
| C05 | N06 | C35 | H34 | 58.0° | 58.4° |
| C33 | C08 | C09 | C10 | 0.7° | 0.5° |
| C08 | C33 | C32 | C11 | 0.7° | 0.5° |
| C33 | C08 | C07 | H22 | 136.6° | 160.0° |
| C33 | C08 | C07 | H23 | 16.1° | 40.0° |
| C33 | C08 | C09 | H24 | 179.2° | 179.5° |
| C08 | C33 | C32 | H32 | 179.3° | 179.5° |
| C09 | C08 | C33 | C32 | 0.2° | 0.8° |
| C08 | C09 | C10 | H24 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 1.0° | 0.0° |
| C08 | C09 | C10 | H1 | 179.0° | 179.7° |
| C09 | C08 | C07 | H22 | 44.3° | 20.7° |
| C09 | C08 | C07 | H23 | 164.9° | 140.7° |
| C33 | C32 | C11 | H32 | 180.0° | 180.0° |
| C33 | C32 | C11 | C10 | 0.5° | 0.0° |
| C33 | C32 | C11 | N12 | 179.8° | 179.9° |
| C09 | C10 | C11 | C32 | 0.4° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | N12 | 178.9° | 179.8° |
| C05 | C04 | C02 | H18 | 119.9° | 120.0° |
| C05 | C04 | C02 | H19 | 119.9° | 119.9° |
| C05 | C04 | C02 | C03 | 167.9° | 177.6° |
| C05 | C04 | H18 | H19 | 120.3° | 120.0° |
| C04 | C05 | H20 | H21 | 118.3° | 120.0° |
| C04 | C02 | C01 | H12 | 59.2° | 60.0° |
| C04 | C02 | C01 | H13 | 60.8° | 180.0° |
| C04 | C02 | C01 | H14 | 179.2° | 60.0° |
| C04 | C02 | C03 | H15 | 61.9° | 179.9° |
| C04 | C02 | C03 | H16 | 178.1° | 59.9° |
| C04 | C02 | C03 | H17 | 58.1° | 60.1° |
| C02 | C04 | H18 | H19 | 120.4° | 120.1° |
| C02 | C04 | C05 | H20 | 177.5° | 60.9° |
| C02 | C04 | C05 | H21 | 63.6° | 179.2° |
| C04 | C02 | C36 | H35 | 167.8° | 62.3° |
| C04 | C02 | C36 | H36 | 71.7° | 177.6° |
| C03 | C02 | C01 | H12 | 60.3° | 179.9° |
| C03 | C02 | C01 | H13 | 179.8° | 59.9° |
| C03 | C02 | C01 | H14 | 59.8° | 60.1° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H17 | 120.0° | 120.0° |
| C02 | C03 | H16 | H17 | 120.0° | 120.0° |
| C03 | C02 | C04 | H18 | 48.0° | 62.4° |
| C03 | C02 | C04 | H19 | 72.2° | 57.7° |
| C03 | C02 | C36 | H35 | 75.9° | 57.6° |
| C03 | C02 | C36 | H36 | 44.5° | 62.5° |
| C32 | C11 | C10 | N12 | 179.4° | 179.9° |
| C32 | C11 | N12 | C29 | 0.4° | 123.9° |
| C32 | C11 | N12 | C13 | 137.9° | 1.0° |
| C32 | C11 | C10 | H1 | 179.6° | 180.0° |
| C10 | C11 | N12 | C29 | 179.8° | 56.0° |
| C10 | C11 | N12 | C13 | 41.5° | 178.9° |
| C11 | C10 | C09 | H24 | 179.0° | 180.0° |
| C10 | C11 | C32 | H32 | 179.5° | 180.0° |
| C11 | N12 | C29 | C13 | 135.4° | 123.4° |
| C11 | N12 | C29 | C30 | 176.9° | 173.6° |
| C11 | N12 | C13 | C14 | 161.1° | 167.5° |
| N12 | C11 | C10 | H1 | 1.0° | 0.1° |
| C11 | N12 | C13 | H2 | 78.8° | 72.7° |
| C11 | N12 | C13 | H3 | 41.1° | 47.8° |
| C11 | N12 | C29 | H30 | 57.0° | 66.3° |
| C11 | N12 | C29 | H31 | 63.2° | 53.4° |
| N12 | C11 | C32 | H32 | 0.2° | 0.1° |
| C26 | N25 | C24 | H38 | 121.9° | 179.9° |
| C26 | N25 | C24 | C27 | 42.2° | 0.0° |
| C26 | N25 | C24 | N23 | 138.4° | 180.0° |
| N25 | C26 | H9 | H10 | 120.0° | 119.9° |
| N25 | C26 | H9 | H11 | 120.0° | 120.0° |
| N25 | C26 | H10 | H11 | 120.0° | 120.0° |
| N12 | C29 | C30 | H30 | 119.9° | 120.2° |
| N12 | C29 | C30 | H31 | 119.9° | 120.1° |
| N12 | C29 | C30 | O31 | 163.5° | 162.9° |
| N12 | C29 | C30 | N28 | 15.9° | 17.1° |
| C29 | N12 | C13 | C14 | 61.0° | 69.1° |
| C29 | N12 | C13 | H2 | 59.1° | 50.7° |
| C29 | N12 | C13 | H3 | 178.9° | 171.2° |
| N12 | C29 | H30 | H31 | 120.3° | 119.7° |
| C13 | N12 | C29 | C30 | 47.7° | 50.2° |
| N12 | C13 | C14 | C15 | 61.0° | 69.8° |
| N12 | C13 | C14 | H2 | 120.1° | 119.8° |
| N12 | C13 | C14 | H3 | 120.1° | 119.8° |
| N12 | C13 | C14 | N28 | 39.3° | 50.5° |
| N12 | C13 | C14 | C17 | 169.5° | 170.8° |
| N12 | C13 | H2 | H3 | 119.8° | 120.4° |
| C13 | N12 | C29 | H30 | 167.7° | 170.4° |
| C13 | N12 | C29 | H31 | 72.1° | 69.9° |
| C29 | C30 | O31 | N28 | 179.4° | 179.9° |
| C29 | C30 | N28 | C14 | 0.1° | 1.8° |
| C30 | C29 | H30 | H31 | 120.2° | 119.7° |
| C29 | C30 | N28 | H39 | 179.9° | 178.2° |
| N25 | C24 | C27 | N23 | 179.4° | 180.0° |
| N25 | C24 | C27 | C20 | 179.2° | 180.0° |
| N25 | C24 | N23 | C22 | 179.8° | 180.0° |
| C24 | N25 | C26 | H9 | 180.0° | 60.0° |
| C24 | N25 | C26 | H10 | 60.0° | 60.0° |
| C24 | N25 | C26 | H11 | 60.0° | 180.0° |
| N25 | C24 | C27 | H29 | 0.9° | 0.0° |
| C16 | C15 | C14 | H4 | 120.8° | 119.9° |
| C16 | C15 | C14 | H5 | 120.7° | 120.0° |
| C15 | C16 | N19 | H25 | 120.5° | 120.0° |
| C15 | C16 | N19 | H26 | 120.5° | 120.0° |
| C16 | C15 | C14 | C13 | 177.2° | 177.4° |
| C16 | C15 | C14 | N28 | 67.5° | 62.1° |
| C16 | C15 | C14 | C17 | 35.2° | 57.8° |
| C15 | C16 | N19 | C20 | 138.7° | 174.2° |
| C15 | C16 | N19 | C18 | 46.1° | 61.7° |
| C16 | C15 | H4 | H5 | 117.8° | 120.2° |
| C15 | C16 | H25 | H26 | 118.3° | 119.9° |
| C14 | C15 | C16 | N19 | 39.5° | 59.3° |
| C15 | C14 | N28 | C30 | 87.7° | 101.8° |
| C15 | C14 | C13 | N28 | 100.4° | 120.3° |
| C15 | C14 | C13 | C17 | 129.4° | 119.4° |
| C15 | C14 | N28 | C17 | 114.8° | 119.6° |
| C15 | C14 | C17 | C18 | 33.8° | 57.8° |
| C15 | C14 | C13 | H2 | 178.9° | 170.4° |
| C15 | C14 | C13 | H3 | 59.0° | 50.0° |
| C14 | C15 | H4 | H5 | 117.7° | 120.1° |
| C15 | C14 | C17 | H6 | 154.8° | 177.7° |
| C15 | C14 | C17 | H7 | 87.2° | 62.1° |
| C14 | C15 | C16 | H25 | 160.0° | 179.3° |
| C14 | C15 | C16 | H26 | 81.1° | 60.8° |
| C15 | C14 | N28 | H39 | 92.3° | 78.2° |
| C16 | N19 | C20 | C27 | 10.5° | 179.7° |
| C16 | N19 | C20 | C18 | 175.5° | 124.2° |
| C16 | N19 | C20 | N21 | 169.5° | 0.0° |
| C16 | N19 | C18 | C17 | 44.7° | 61.7° |
| N19 | C16 | C15 | H4 | 160.2° | 60.6° |
| N19 | C16 | C15 | H5 | 81.2° | 179.2° |
| N19 | C16 | H25 | H26 | 118.4° | 120.0° |
| C16 | N19 | C18 | H27 | 165.6° | 58.3° |
| C16 | N19 | C18 | H28 | 76.1° | 178.3° |
| O31 | C30 | N28 | C14 | 179.3° | 178.3° |
| O31 | C30 | C29 | H30 | 43.6° | 42.8° |
| O31 | C30 | C29 | H31 | 76.6° | 76.9° |
| O31 | C30 | N28 | H39 | 0.7° | 1.7° |
| C30 | N28 | C14 | C13 | 11.9° | 18.4° |
| C30 | N28 | C14 | H39 | 180.0° | 180.0° |
| C30 | N28 | C14 | C17 | 157.5° | 138.6° |
| N28 | C30 | C29 | H30 | 135.8° | 137.3° |
| N28 | C30 | C29 | H31 | 104.0° | 103.0° |
| C13 | C14 | N28 | C17 | 145.5° | 120.2° |
| C13 | C14 | C17 | C18 | 157.1° | 177.4° |
| C14 | C13 | H2 | H3 | 119.8° | 120.4° |
| C13 | C14 | C15 | H4 | 62.0° | 57.5° |
| C13 | C14 | C15 | H5 | 56.5° | 62.7° |
| C13 | C14 | C17 | H6 | 81.9° | 62.7° |
| C13 | C14 | C17 | H7 | 36.1° | 57.5° |
| C13 | C14 | N28 | H39 | 168.0° | 161.6° |
| C24 | C27 | C20 | H29 | 180.0° | 180.0° |
| C24 | C27 | C20 | N19 | 179.0° | 179.7° |
| C24 | C27 | C20 | N21 | 1.0° | 0.0° |
| C27 | C24 | N23 | C22 | 0.8° | 0.0° |
| C27 | C24 | N25 | H38 | 79.7° | 180.0° |
| C20 | C27 | C24 | N23 | 0.2° | 0.0° |
| C27 | C20 | N19 | N21 | 180.0° | 179.7° |
| C27 | C20 | N19 | C18 | 165.0° | 55.5° |
| C27 | C20 | N21 | C22 | 0.8° | 0.0° |
| C24 | N23 | C22 | N21 | 1.0° | 0.1° |
| C24 | N23 | C22 | H8 | 179.0° | 180.0° |
| N23 | C24 | C27 | H29 | 179.7° | 180.0° |
| N23 | C24 | N25 | H38 | 99.7° | 0.1° |
| N28 | C14 | C17 | C18 | 67.7° | 62.1° |
| N28 | C14 | C13 | H2 | 80.7° | 69.3° |
| N28 | C14 | C13 | H3 | 159.4° | 170.3° |
| N28 | C14 | C15 | H4 | 53.2° | 178.0° |
| N28 | C14 | C15 | H5 | 171.7° | 57.9° |
| N28 | C14 | C17 | H6 | 53.3° | 57.8° |
| N28 | C14 | C17 | H7 | 171.3° | 178.0° |
| C14 | C17 | C18 | N19 | 37.2° | 59.2° |
| C14 | C17 | C18 | H6 | 121.0° | 120.0° |
| C14 | C17 | C18 | H7 | 121.0° | 119.9° |
| C17 | C14 | C13 | H2 | 49.5° | 51.0° |
| C17 | C14 | C13 | H3 | 70.4° | 69.4° |
| C17 | C14 | C15 | H4 | 155.9° | 62.1° |
| C17 | C14 | C15 | H5 | 85.6° | 177.8° |
| C14 | C17 | H6 | H7 | 116.7° | 120.1° |
| C14 | C17 | C18 | H27 | 158.0° | 60.8° |
| C14 | C17 | C18 | H28 | 83.7° | 179.2° |
| C17 | C14 | N28 | H39 | 22.5° | 41.5° |
| C20 | N19 | C18 | C17 | 139.8° | 174.2° |
| N19 | C20 | N21 | C22 | 179.2° | 179.7° |
| C20 | N19 | C16 | H25 | 18.2° | 54.2° |
| C20 | N19 | C16 | H26 | 100.8° | 65.8° |
| C20 | N19 | C18 | H27 | 19.0° | 65.8° |
| C20 | N19 | C18 | H28 | 99.3° | 54.2° |
| N19 | C20 | C27 | H29 | 1.0° | 0.3° |
| C18 | N19 | C20 | N21 | 15.0° | 124.2° |
| N19 | C18 | C17 | H27 | 120.8° | 120.0° |
| N19 | C18 | C17 | H28 | 120.9° | 120.0° |
| N19 | C18 | C17 | H6 | 158.2° | 179.2° |
| N19 | C18 | C17 | H7 | 83.8° | 60.7° |
| C18 | N19 | C16 | H25 | 166.7° | 178.3° |
| C18 | N19 | C16 | H26 | 74.4° | 58.3° |
| N19 | C18 | H27 | H28 | 117.4° | 120.0° |
| C20 | N21 | C22 | N23 | 0.3° | 0.0° |
| C20 | N21 | C22 | H8 | 179.7° | 180.0° |
| N21 | C20 | C27 | H29 | 179.0° | 180.0° |
| N23 | C22 | N21 | H8 | 180.0° | 179.9° |
| C18 | C17 | H6 | H7 | 116.7° | 120.1° |
| C17 | C18 | H27 | H28 | 117.4° | 119.9° |
| H1 | C10 | C09 | H24 | 1.0° | 0.3° |
| H4 | C15 | C16 | H25 | 79.2° | 59.4° |
| H4 | C15 | C16 | H26 | 39.7° | 179.3° |
| H5 | C15 | C16 | H25 | 39.3° | 60.8° |
| H5 | C15 | C16 | H26 | 158.2° | 59.1° |
| H6 | C17 | C18 | H27 | 80.9° | 59.1° |
| H6 | C17 | C18 | H28 | 37.4° | 60.8° |
| H7 | C17 | C18 | H27 | 37.0° | 179.3° |
| H7 | C17 | C18 | H28 | 155.3° | 59.4° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H9 | C26 | N25 | H38 | 58.1° | 120.0° |
| H10 | C26 | N25 | H38 | 61.9° | 120.1° |
| H11 | C26 | N25 | H38 | 178.1° | 0.1° |
| H12 | C01 | H13 | H14 | 120.0° | 120.1° |
| H15 | C03 | H16 | H17 | 120.0° | 120.0° |
| H18 | C04 | C05 | H20 | 57.6° | 59.2° |
| H18 | C04 | C05 | H21 | 176.5° | 60.8° |
| H19 | C04 | C05 | H20 | 62.6° | 179.2° |
| H19 | C04 | C05 | H21 | 56.3° | 59.2° |
| H33 | C35 | C36 | H35 | 64.9° | 59.3° |
| H33 | C35 | C36 | H36 | 55.6° | 60.8° |
| H34 | C35 | C36 | H35 | 53.7° | 179.2° |
| H34 | C35 | C36 | H36 | 174.1° | 59.1° |
