R72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.32Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.54Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.35Å | |
| C07 | N06 | sing | 1.47Å | 1.34Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C36 | C31 | sing | 1.38Å | 1.52Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.33Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| N06 | C40 | sing | 1.47Å | 1.35Å | |
| C08 | C09 | doub | 1.39Å | 1.53Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.34Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C41 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.38Å | 1.33Å | Aromatic |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.39Å | 1.53Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C31 | C32 | doub | 1.38Å | 1.33Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | C14 | doub | 1.40Å | 1.51Å | Aromatic |
| N29 | C30 | sing | 1.46Å | 1.42Å | |
| N29 | C28 | sing | 1.39Å | 1.48Å | |
| C12 | C14 | sing | 1.40Å | 1.31Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | N23 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.48Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C37 | C28 | doub | 1.39Å | 1.30Å | Aromatic |
| C37 | C24 | sing | 1.39Å | 1.47Å | Aromatic |
| C28 | N27 | sing | 1.33Å | 1.47Å | Aromatic |
| C15 | O39 | doub | 1.22Å | 1.24Å | |
| C15 | N16 | sing | 1.35Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| N23 | C24 | sing | 1.39Å | 1.46Å | |
| N23 | C22 | sing | 1.47Å | 1.42Å | |
| C24 | N25 | doub | 1.33Å | 1.27Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| C22 | C18 | sing | 1.53Å | 1.51Å | |
| N27 | C26 | doub | 1.32Å | 1.31Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | O38 | sing | 1.43Å | 1.41Å | |
| N25 | C26 | sing | 1.32Å | 1.50Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| N16 | H40 | sing | 0.97Å | 1.00Å | |
| N29 | H41 | sing | 0.97Å | 1.00Å | |
| O13 | H42 | sing | 0.97Å | 0.95Å | |
| O38 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.7° | 120.0° |
| C35 | C36 | C31 | 117.6° | 120.0° |
| C36 | C35 | H32 | 119.6° | 120.0° |
| C35 | C36 | H33 | 121.2° | 120.1° |
| C35 | C34 | C33 | 121.1° | 120.0° |
| C35 | C34 | H31 | 119.5° | 120.0° |
| C34 | C35 | H32 | 119.6° | 120.0° |
| C04 | C05 | N06 | 116.0° | 109.5° |
| C05 | C04 | C02 | 111.1° | 109.3° |
| C05 | C04 | H18 | 109.1° | 109.5° |
| C05 | C04 | H19 | 109.1° | 109.5° |
| C04 | C05 | H20 | 107.8° | 109.5° |
| C04 | C05 | H21 | 107.8° | 109.5° |
| C05 | N06 | C07 | 110.9° | 111.0° |
| C05 | N06 | C40 | 112.9° | 111.2° |
| N06 | C05 | H20 | 107.8° | 109.5° |
| N06 | C05 | H21 | 107.8° | 109.5° |
| N06 | C07 | C08 | 107.5° | 109.5° |
| C07 | N06 | C40 | 109.2° | 111.0° |
| N06 | C07 | H22 | 110.0° | 109.4° |
| N06 | C07 | H23 | 110.0° | 109.4° |
| C07 | C08 | C09 | 119.0° | 119.8° |
| C07 | C08 | C11 | 122.9° | 119.8° |
| C08 | C07 | H22 | 109.9° | 109.5° |
| C08 | C07 | H23 | 110.0° | 109.5° |
| C36 | C31 | C30 | 117.5° | 120.0° |
| C36 | C31 | C32 | 122.5° | 120.0° |
| C31 | C36 | H33 | 121.2° | 120.0° |
| C34 | C33 | C32 | 118.5° | 120.0° |
| C34 | C33 | H30 | 120.7° | 120.0° |
| C33 | C34 | H31 | 119.5° | 120.0° |
| C04 | C02 | C01 | 107.3° | 109.5° |
| C04 | C02 | C03 | 108.4° | 109.5° |
| C04 | C02 | C41 | 113.7° | 109.2° |
| C02 | C04 | H18 | 109.1° | 109.5° |
| C02 | C04 | H19 | 109.1° | 109.5° |
| C01 | C02 | C03 | 113.7° | 109.5° |
| C01 | C02 | C41 | 104.1° | 109.6° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| N06 | C40 | C41 | 118.0° | 109.5° |
| N06 | C40 | H35 | 107.3° | 109.4° |
| N06 | C40 | H36 | 107.3° | 109.6° |
| C09 | C08 | C11 | 118.1° | 120.3° |
| C08 | C09 | C10 | 121.6° | 120.4° |
| C08 | C09 | H24 | 119.1° | 119.8° |
| C08 | C11 | C12 | 120.5° | 120.1° |
| C08 | C11 | H1 | 119.7° | 120.0° |
| C03 | C02 | C41 | 109.7° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C41 | C40 | 109.0° | 109.3° |
| C02 | C41 | H37 | 109.6° | 109.5° |
| C02 | C41 | H38 | 109.6° | 109.5° |
| C09 | C10 | C14 | 118.3° | 119.9° |
| C09 | C10 | H4 | 120.8° | 120.1° |
| C10 | C09 | H24 | 119.2° | 119.8° |
| C41 | C40 | H35 | 107.3° | 109.4° |
| C41 | C40 | H36 | 107.3° | 109.4° |
| C40 | C41 | H37 | 109.6° | 109.5° |
| C40 | C41 | H38 | 109.6° | 109.5° |
| C11 | C12 | C14 | 119.1° | 119.7° |
| C11 | C12 | O13 | 122.2° | 120.2° |
| C12 | C11 | H1 | 119.8° | 119.9° |
| C30 | C31 | C32 | 119.6° | 120.0° |
| C31 | C30 | N29 | 112.6° | 109.4° |
| C31 | C30 | H27 | 108.7° | 109.4° |
| C31 | C30 | H28 | 108.7° | 109.5° |
| C31 | C32 | C33 | 119.4° | 120.0° |
| C31 | C32 | H29 | 120.3° | 120.0° |
| C33 | C32 | H29 | 120.3° | 120.0° |
| C32 | C33 | H30 | 120.7° | 120.0° |
| C10 | C14 | C12 | 122.4° | 119.6° |
| C10 | C14 | C15 | 114.2° | 120.1° |
| C14 | C10 | H4 | 120.8° | 120.1° |
| C30 | N29 | C28 | 117.3° | 120.0° |
| N29 | C30 | H27 | 108.7° | 109.5° |
| N29 | C30 | H28 | 108.7° | 109.5° |
| C30 | N29 | H41 | 107.5° | 120.1° |
| N29 | C28 | C37 | 116.7° | 120.5° |
| N29 | C28 | N27 | 121.0° | 120.5° |
| C28 | N29 | H41 | 107.5° | 120.0° |
| C14 | C12 | O13 | 118.7° | 120.1° |
| C12 | C14 | C15 | 123.5° | 120.2° |
| C12 | O13 | H42 | 109.5° | 114.0° |
| C20 | C21 | N23 | 110.5° | 109.5° |
| C21 | C20 | C19 | 112.0° | 109.3° |
| C21 | C20 | H9 | 108.9° | 109.5° |
| C21 | C20 | H10 | 108.9° | 109.4° |
| C20 | C21 | H25 | 109.2° | 109.4° |
| C20 | C21 | H26 | 109.2° | 109.5° |
| C21 | N23 | C24 | 115.3° | 111.0° |
| C21 | N23 | C22 | 121.6° | 111.2° |
| N23 | C21 | H25 | 109.2° | 109.5° |
| N23 | C21 | H26 | 109.2° | 109.4° |
| C14 | C15 | O39 | 117.8° | 119.9° |
| C14 | C15 | N16 | 119.2° | 120.1° |
| C20 | C19 | C18 | 114.5° | 109.2° |
| C20 | C19 | H5 | 108.2° | 109.5° |
| C20 | C19 | H6 | 108.2° | 109.6° |
| C19 | C20 | H9 | 108.8° | 109.5° |
| C19 | C20 | H10 | 108.9° | 109.5° |
| C28 | C37 | C24 | 119.2° | 118.3° |
| C37 | C28 | N27 | 122.3° | 119.1° |
| C28 | C37 | H34 | 120.4° | 120.9° |
| C37 | C24 | N23 | 112.2° | 120.5° |
| C37 | C24 | N25 | 120.4° | 119.0° |
| C24 | C37 | H34 | 120.4° | 120.9° |
| C28 | N27 | C26 | 117.0° | 120.9° |
| O39 | C15 | N16 | 123.0° | 120.0° |
| C15 | N16 | C17 | 113.2° | 120.0° |
| C15 | N16 | H40 | 123.4° | 120.0° |
| C19 | C18 | C22 | 110.6° | 109.3° |
| C19 | C18 | C17 | 108.8° | 109.5° |
| C19 | C18 | O38 | 110.8° | 109.5° |
| C18 | C19 | H5 | 108.2° | 109.5° |
| C18 | C19 | H6 | 108.2° | 109.5° |
| C24 | N23 | C22 | 123.0° | 111.0° |
| N23 | C24 | N25 | 127.4° | 120.5° |
| N23 | C22 | C18 | 111.3° | 109.5° |
| N23 | C22 | H7 | 109.0° | 109.5° |
| N23 | C22 | H8 | 109.0° | 109.5° |
| C24 | N25 | C26 | 119.7° | 120.9° |
| N16 | C17 | C18 | 107.9° | 109.5° |
| N16 | C17 | H2 | 109.9° | 109.5° |
| N16 | C17 | H3 | 109.9° | 109.5° |
| C17 | N16 | H40 | 123.4° | 120.0° |
| C22 | C18 | C17 | 108.8° | 109.5° |
| C22 | C18 | O38 | 109.3° | 109.5° |
| C18 | C22 | H7 | 109.0° | 109.4° |
| C18 | C22 | H8 | 109.0° | 109.5° |
| N27 | C26 | N25 | 121.2° | 121.9° |
| N27 | C26 | H11 | 119.4° | 119.1° |
| C17 | C18 | O38 | 108.5° | 109.5° |
| C18 | C17 | H2 | 109.9° | 109.5° |
| C18 | C17 | H3 | 109.9° | 109.5° |
| C18 | O38 | H43 | 109.5° | 114.0° |
| N25 | C26 | H11 | 119.4° | 119.1° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | C19 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.4° |
| 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° | 109.5° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.5° | 109.4° |
| H35 | C40 | H36 | 109.4° | 109.5° |
| H37 | C41 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H32 | 180.0° | 179.5° |
| C35 | C36 | C31 | H33 | 180.0° | 179.4° |
| C36 | C35 | C34 | C33 | 1.4° | 0.2° |
| C35 | C36 | C31 | C30 | 176.8° | 179.7° |
| C35 | C36 | C31 | C32 | 4.2° | 0.5° |
| C36 | C35 | C34 | H31 | 178.6° | 179.7° |
| C34 | C35 | C36 | C31 | 2.8° | 0.5° |
| C35 | C34 | C33 | H31 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.7° | 0.0° |
| C35 | C34 | C33 | H30 | 179.3° | 180.0° |
| C34 | C35 | C36 | H33 | 177.2° | 180.0° |
| C04 | C05 | N06 | H20 | 121.0° | 120.0° |
| C04 | C05 | N06 | H21 | 120.9° | 120.0° |
| C04 | C05 | N06 | C07 | 178.2° | 174.2° |
| C05 | C04 | C02 | H18 | 120.2° | 119.9° |
| C05 | C04 | C02 | H19 | 120.2° | 120.0° |
| C05 | C04 | C02 | C01 | 73.3° | 62.2° |
| C04 | C05 | N06 | C40 | 55.3° | 61.7° |
| C05 | C04 | C02 | C03 | 163.5° | 177.6° |
| C05 | C04 | C02 | C41 | 41.3° | 57.7° |
| C05 | C04 | H18 | H19 | 119.3° | 120.1° |
| C04 | C05 | H20 | H21 | 117.0° | 120.0° |
| C05 | N06 | C07 | C40 | 125.0° | 124.3° |
| C05 | N06 | C07 | C08 | 171.3° | 170.0° |
| N06 | C05 | C04 | C02 | 48.4° | 59.2° |
| C05 | N06 | C40 | C41 | 56.4° | 61.7° |
| N06 | C05 | C04 | H18 | 168.6° | 60.7° |
| N06 | C05 | C04 | H19 | 71.9° | 179.2° |
| N06 | C05 | H20 | H21 | 117.0° | 120.0° |
| C05 | N06 | C07 | H22 | 51.6° | 69.9° |
| C05 | N06 | C07 | H23 | 69.0° | 50.0° |
| C05 | N06 | C40 | H35 | 177.6° | 58.2° |
| C05 | N06 | C40 | H36 | 64.9° | 178.3° |
| N06 | C07 | C08 | H22 | 119.7° | 120.0° |
| N06 | C07 | C08 | H23 | 119.7° | 119.9° |
| N06 | C07 | C08 | C09 | 102.9° | 89.9° |
| N06 | C07 | C08 | C11 | 76.5° | 90.3° |
| C07 | N06 | C40 | C41 | 179.8° | 174.2° |
| C07 | N06 | C05 | H20 | 60.9° | 54.2° |
| C07 | N06 | C05 | H21 | 57.2° | 65.8° |
| N06 | C07 | H22 | H23 | 120.9° | 119.9° |
| C07 | N06 | C40 | H35 | 58.6° | 65.9° |
| C07 | N06 | C40 | H36 | 59.0° | 54.1° |
| C08 | C07 | N06 | C40 | 63.6° | 65.7° |
| C07 | C08 | C09 | C11 | 179.4° | 179.8° |
| C07 | C08 | C09 | C10 | 178.4° | 180.0° |
| C07 | C08 | C11 | C12 | 179.2° | 180.0° |
| C07 | C08 | C11 | H1 | 0.8° | 0.1° |
| C08 | C07 | H22 | H23 | 120.9° | 120.0° |
| C07 | C08 | C09 | H24 | 1.6° | 0.1° |
| C36 | C31 | C30 | C32 | 172.8° | 179.8° |
| C36 | C31 | C32 | C33 | 3.7° | 0.3° |
| C36 | C31 | C30 | N29 | 76.8° | 90.3° |
| C36 | C31 | C30 | H27 | 43.7° | 29.8° |
| C36 | C31 | C30 | H28 | 162.8° | 149.7° |
| C36 | C31 | C32 | H29 | 176.3° | 179.7° |
| C31 | C36 | C35 | H32 | 177.1° | 180.0° |
| C34 | C33 | C32 | C31 | 2.0° | 0.0° |
| C34 | C33 | C32 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | H29 | 178.0° | 180.0° |
| C33 | C34 | C35 | H32 | 178.6° | 179.7° |
| C04 | C02 | C01 | C03 | 119.9° | 120.1° |
| C04 | C02 | C01 | C41 | 120.8° | 119.8° |
| C04 | C02 | C03 | C41 | 124.7° | 119.7° |
| C04 | C02 | C41 | C40 | 40.4° | 57.7° |
| C04 | C02 | C01 | H12 | 180.0° | 179.9° |
| C04 | C02 | C01 | H13 | 60.0° | 59.9° |
| C04 | C02 | C01 | H14 | 60.0° | 60.1° |
| C04 | C02 | C03 | H15 | 180.0° | 60.1° |
| C04 | C02 | C03 | H16 | 60.0° | 59.9° |
| C04 | C02 | C03 | H17 | 60.0° | 179.9° |
| C02 | C04 | H18 | H19 | 119.3° | 120.1° |
| C02 | C04 | C05 | H20 | 169.3° | 179.2° |
| C02 | C04 | C05 | H21 | 72.6° | 60.8° |
| C04 | C02 | C41 | H37 | 160.3° | 177.6° |
| C04 | C02 | C41 | H38 | 79.5° | 62.2° |
| C01 | C02 | C03 | C41 | 116.1° | 120.2° |
| C01 | C02 | C41 | C40 | 76.0° | 62.2° |
| 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 | 60.7° | 60.0° |
| C01 | C02 | C03 | H16 | 59.3° | 180.0° |
| C01 | C02 | C03 | H17 | 179.3° | 60.0° |
| C01 | C02 | C04 | H18 | 47.0° | 177.8° |
| C01 | C02 | C04 | H19 | 166.5° | 57.7° |
| C01 | C02 | C41 | H37 | 43.9° | 57.7° |
| C01 | C02 | C41 | H38 | 164.0° | 177.8° |
| N06 | C40 | C41 | C02 | 48.5° | 59.1° |
| N06 | C40 | C41 | H35 | 121.2° | 119.9° |
| N06 | C40 | C41 | H36 | 121.2° | 120.1° |
| C40 | N06 | C05 | H20 | 176.2° | 178.3° |
| C40 | N06 | C05 | H21 | 65.7° | 58.3° |
| C40 | N06 | C07 | H22 | 176.7° | 54.3° |
| C40 | N06 | C07 | H23 | 56.1° | 174.3° |
| N06 | C40 | H35 | H36 | 116.2° | 120.1° |
| N06 | C40 | C41 | H37 | 168.4° | 179.0° |
| N06 | C40 | C41 | H38 | 71.4° | 60.9° |
| C08 | C09 | C10 | H24 | 180.0° | 179.9° |
| C09 | C08 | C11 | C12 | 0.2° | 0.2° |
| C08 | C09 | C10 | C14 | 1.4° | 0.0° |
| C09 | C08 | C11 | H1 | 179.8° | 179.7° |
| C08 | C09 | C10 | H4 | 178.6° | 179.9° |
| C09 | C08 | C07 | H22 | 137.4° | 150.0° |
| C09 | C08 | C07 | H23 | 16.8° | 30.0° |
| C11 | C08 | C09 | C10 | 1.0° | 0.2° |
| C08 | C11 | C12 | H1 | 180.0° | 179.9° |
| C08 | C11 | C12 | C14 | 0.0° | 0.0° |
| C08 | C11 | C12 | O13 | 179.6° | 180.0° |
| C11 | C08 | C07 | H22 | 43.2° | 29.8° |
| C11 | C08 | C07 | H23 | 163.8° | 149.8° |
| C11 | C08 | C09 | H24 | 179.0° | 179.7° |
| C03 | C02 | C41 | C40 | 161.9° | 177.6° |
| C03 | C02 | C01 | H12 | 60.1° | 60.0° |
| C03 | C02 | C01 | H13 | 179.9° | 180.0° |
| C03 | C02 | C01 | H14 | 59.9° | 60.0° |
| 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 | 76.2° | 57.7° |
| C03 | C02 | C04 | H19 | 43.3° | 62.4° |
| C03 | C02 | C41 | H37 | 78.2° | 62.5° |
| C03 | C02 | C41 | H38 | 42.0° | 57.7° |
| C02 | C41 | C40 | H37 | 119.9° | 119.9° |
| C02 | C41 | C40 | H38 | 119.9° | 120.0° |
| C41 | C02 | C01 | H12 | 59.2° | 60.1° |
| C41 | C02 | C01 | H13 | 60.8° | 59.9° |
| C41 | C02 | C01 | H14 | 179.2° | 179.9° |
| C41 | C02 | C03 | H15 | 55.3° | 179.8° |
| C41 | C02 | C03 | H16 | 175.3° | 59.9° |
| C41 | C02 | C03 | H17 | 64.7° | 60.1° |
| C41 | C02 | C04 | H18 | 161.5° | 62.2° |
| C41 | C02 | C04 | H19 | 79.0° | 177.7° |
| C02 | C41 | C40 | H35 | 169.7° | 60.8° |
| C02 | C41 | C40 | H36 | 72.8° | 179.2° |
| C02 | C41 | H37 | H38 | 120.2° | 120.1° |
| C09 | C10 | C14 | H4 | 180.0° | 180.0° |
| C09 | C10 | C14 | C12 | 1.2° | 0.2° |
| C09 | C10 | C14 | C15 | 178.9° | 180.0° |
| C41 | C40 | H35 | H36 | 116.1° | 119.9° |
| C40 | C41 | H37 | H38 | 120.2° | 120.1° |
| C11 | C12 | C14 | C10 | 0.5° | 0.2° |
| C11 | C12 | C14 | O13 | 179.6° | 180.0° |
| C11 | C12 | C14 | C15 | 179.7° | 180.0° |
| C11 | C12 | O13 | H42 | 180.0° | 90.0° |
| C30 | C31 | C32 | C33 | 176.1° | 180.0° |
| C31 | C30 | N29 | H27 | 120.5° | 120.0° |
| C31 | C30 | N29 | H28 | 120.5° | 120.0° |
| C31 | C30 | N29 | C28 | 96.7° | 180.0° |
| C31 | C30 | H27 | H28 | 118.6° | 119.9° |
| C30 | C31 | C32 | H29 | 3.9° | 0.0° |
| C30 | C31 | C36 | H33 | 3.2° | 0.3° |
| C31 | C30 | N29 | H41 | 24.5° | 0.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C32 | C31 | C30 | N29 | 110.5° | 90.0° |
| C32 | C31 | C30 | H27 | 129.1° | 150.0° |
| C32 | C31 | C30 | H28 | 10.0° | 30.1° |
| C31 | C32 | C33 | H30 | 178.0° | 180.0° |
| C32 | C31 | C36 | H33 | 175.8° | 180.0° |
| C32 | C33 | C34 | H31 | 179.3° | 180.0° |
| C10 | C14 | C12 | C15 | 179.8° | 179.8° |
| C10 | C14 | C12 | O13 | 179.1° | 179.8° |
| C10 | C14 | C15 | O39 | 3.8° | 180.0° |
| C10 | C14 | C15 | N16 | 176.5° | 0.0° |
| C14 | C10 | C09 | H24 | 178.6° | 179.9° |
| C30 | N29 | C28 | H41 | 121.1° | 180.0° |
| C30 | N29 | C28 | C37 | 123.2° | 0.0° |
| C30 | N29 | C28 | N27 | 57.5° | 180.0° |
| N29 | C30 | H27 | H28 | 118.6° | 120.1° |
| N29 | C28 | C37 | N27 | 179.3° | 180.0° |
| N29 | C28 | C37 | C24 | 178.6° | 179.9° |
| N29 | C28 | N27 | C26 | 178.9° | 180.0° |
| C28 | N29 | C30 | H27 | 142.9° | 60.0° |
| C28 | N29 | C30 | H28 | 23.8° | 60.0° |
| N29 | C28 | C37 | H34 | 1.4° | 0.1° |
| C12 | C14 | C15 | O39 | 176.4° | 0.3° |
| C12 | C14 | C15 | N16 | 3.3° | 179.7° |
| C14 | C12 | C11 | H1 | 180.0° | 179.9° |
| C12 | C14 | C10 | H4 | 178.8° | 179.7° |
| C14 | C12 | O13 | H42 | 0.4° | 90.0° |
| O13 | C12 | C14 | C15 | 0.7° | 0.0° |
| O13 | C12 | C11 | H1 | 0.4° | 0.0° |
| C20 | C21 | N23 | H25 | 120.2° | 120.0° |
| C20 | C21 | N23 | H26 | 120.2° | 120.0° |
| C21 | C20 | C19 | H9 | 120.4° | 120.0° |
| C21 | C20 | C19 | H10 | 120.4° | 119.9° |
| C21 | C20 | C19 | C18 | 45.8° | 57.6° |
| C20 | C21 | N23 | C24 | 131.0° | 174.2° |
| C20 | C21 | N23 | C22 | 50.5° | 61.8° |
| C21 | C20 | C19 | H5 | 166.5° | 62.3° |
| C21 | C20 | C19 | H6 | 74.9° | 177.5° |
| C21 | C20 | H9 | H10 | 118.9° | 120.1° |
| C20 | C21 | H25 | H26 | 119.5° | 119.9° |
| N23 | C21 | C20 | C19 | 42.7° | 59.2° |
| C21 | N23 | C24 | C37 | 26.2° | 55.8° |
| C21 | N23 | C24 | C22 | 178.5° | 124.1° |
| C21 | N23 | C24 | N25 | 154.5° | 124.0° |
| C21 | N23 | C22 | C18 | 54.7° | 61.8° |
| C21 | N23 | C22 | H7 | 65.6° | 178.3° |
| C21 | N23 | C22 | H8 | 175.0° | 58.3° |
| N23 | C21 | C20 | H9 | 77.7° | 179.2° |
| N23 | C21 | C20 | H10 | 163.1° | 60.7° |
| N23 | C21 | H25 | H26 | 119.5° | 120.0° |
| C14 | C15 | O39 | N16 | 179.7° | 180.0° |
| C14 | C15 | N16 | C17 | 178.8° | 180.0° |
| C15 | C14 | C10 | H4 | 1.1° | 0.0° |
| C14 | C15 | N16 | H40 | 1.2° | 0.0° |
| C20 | C19 | C18 | H5 | 120.8° | 119.9° |
| C20 | C19 | C18 | H6 | 120.7° | 120.0° |
| C20 | C19 | C18 | C22 | 48.8° | 57.6° |
| C20 | C19 | C18 | C17 | 168.2° | 177.6° |
| C20 | C19 | C18 | O38 | 72.6° | 62.4° |
| C20 | C19 | H5 | H6 | 117.7° | 120.2° |
| C19 | C20 | H9 | H10 | 118.8° | 120.1° |
| C19 | C20 | C21 | H25 | 77.5° | 60.9° |
| C19 | C20 | C21 | H26 | 162.8° | 179.2° |
| C28 | C37 | C24 | H34 | 180.0° | 179.9° |
| C28 | C37 | C24 | N23 | 179.4° | 179.7° |
| C28 | C37 | C24 | N25 | 0.0° | 0.1° |
| C37 | C28 | N27 | C26 | 0.3° | 0.1° |
| C37 | C28 | N29 | H41 | 2.1° | 180.0° |
| C24 | C37 | C28 | N27 | 0.7° | 0.0° |
| C37 | C24 | N23 | N25 | 179.4° | 179.8° |
| C37 | C24 | N23 | C22 | 152.3° | 180.0° |
| C37 | C24 | N25 | C26 | 1.0° | 0.0° |
| C28 | N27 | C26 | N25 | 0.6° | 0.1° |
| C28 | N27 | C26 | H11 | 179.4° | 180.0° |
| N27 | C28 | C37 | H34 | 179.3° | 179.9° |
| N27 | C28 | N29 | H41 | 178.6° | 0.0° |
| O39 | C15 | N16 | C17 | 1.5° | 0.0° |
| O39 | C15 | N16 | H40 | 178.5° | 180.0° |
| C15 | N16 | C17 | H40 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 109.1° | 180.0° |
| C15 | N16 | C17 | H2 | 10.7° | 60.0° |
| C15 | N16 | C17 | H3 | 131.2° | 60.0° |
| C19 | C18 | C22 | N23 | 49.9° | 59.2° |
| C19 | C18 | C17 | N16 | 72.2° | 55.1° |
| C19 | C18 | C22 | C17 | 119.4° | 119.9° |
| C19 | C18 | C22 | O38 | 122.2° | 120.0° |
| C19 | C18 | C17 | O38 | 120.6° | 120.0° |
| C19 | C18 | C17 | H2 | 47.5° | 64.9° |
| C19 | C18 | C17 | H3 | 168.0° | 175.1° |
| C18 | C19 | H5 | H6 | 117.7° | 120.1° |
| C19 | C18 | C22 | H7 | 70.4° | 179.2° |
| C19 | C18 | C22 | H8 | 170.1° | 60.9° |
| C18 | C19 | C20 | H9 | 74.6° | 177.6° |
| C18 | C19 | C20 | H10 | 166.2° | 62.3° |
| C19 | C18 | O38 | H43 | 180.0° | 60.0° |
| C24 | N23 | C22 | C18 | 126.9° | 174.2° |
| N23 | C24 | N25 | C26 | 179.7° | 179.8° |
| C24 | N23 | C22 | H7 | 112.8° | 54.3° |
| C24 | N23 | C22 | H8 | 6.7° | 65.8° |
| C24 | N23 | C21 | H25 | 108.9° | 65.8° |
| C24 | N23 | C21 | H26 | 10.8° | 54.2° |
| N23 | C24 | C37 | H34 | 0.6° | 0.1° |
| C22 | N23 | C24 | N25 | 27.1° | 0.2° |
| N23 | C22 | C18 | H7 | 120.3° | 120.0° |
| N23 | C22 | C18 | H8 | 120.3° | 120.1° |
| N23 | C22 | C18 | C17 | 169.3° | 179.1° |
| N23 | C22 | C18 | O38 | 72.4° | 60.8° |
| N23 | C22 | H7 | H8 | 119.2° | 120.1° |
| C22 | N23 | C21 | H25 | 69.6° | 58.2° |
| C22 | N23 | C21 | H26 | 170.7° | 178.2° |
| C24 | N25 | C26 | N27 | 1.3° | 0.0° |
| C24 | N25 | C26 | H11 | 178.7° | 180.0° |
| N25 | C24 | C37 | H34 | 180.0° | 179.9° |
| N16 | C17 | C18 | C22 | 48.3° | 174.9° |
| N16 | C17 | C18 | H2 | 119.8° | 120.0° |
| N16 | C17 | C18 | H3 | 119.7° | 120.0° |
| N16 | C17 | C18 | O38 | 167.2° | 65.0° |
| N16 | C17 | H2 | H3 | 120.7° | 120.0° |
| C22 | C18 | C17 | O38 | 118.8° | 120.1° |
| C22 | C18 | C17 | H2 | 168.1° | 54.9° |
| C22 | C18 | C17 | H3 | 71.4° | 65.1° |
| C22 | C18 | C19 | H5 | 169.5° | 62.3° |
| C22 | C18 | C19 | H6 | 71.9° | 177.6° |
| C18 | C22 | H7 | H8 | 119.1° | 119.9° |
| C22 | C18 | O38 | H43 | 57.9° | 179.9° |
| N27 | C26 | N25 | H11 | 180.0° | 179.9° |
| C18 | C17 | H2 | H3 | 120.7° | 120.0° |
| C17 | C18 | C19 | H5 | 71.0° | 57.7° |
| C17 | C18 | C19 | H6 | 47.5° | 62.4° |
| C17 | C18 | C22 | H7 | 49.0° | 60.9° |
| C17 | C18 | C22 | H8 | 70.5° | 59.0° |
| C18 | C17 | N16 | H40 | 70.9° | 0.0° |
| C17 | C18 | O38 | H43 | 60.7° | 60.0° |
| O38 | C18 | C17 | H2 | 73.1° | 175.0° |
| O38 | C18 | C17 | H3 | 47.4° | 55.0° |
| O38 | C18 | C19 | H5 | 48.2° | 177.7° |
| O38 | C18 | C19 | H6 | 166.7° | 57.6° |
| O38 | C18 | C22 | H7 | 167.3° | 59.2° |
| O38 | C18 | C22 | H8 | 47.9° | 179.1° |
| H2 | C17 | N16 | H40 | 169.3° | 120.0° |
| H3 | C17 | N16 | H40 | 48.8° | 120.0° |
| H4 | C10 | C09 | H24 | 1.4° | 0.0° |
| H5 | C19 | C20 | H9 | 46.1° | 57.7° |
| H5 | C19 | C20 | H10 | 73.1° | 177.9° |
| H6 | C19 | C20 | H9 | 164.7° | 62.5° |
| H6 | C19 | C20 | H10 | 45.5° | 57.7° |
| H9 | C20 | C21 | H25 | 162.2° | 59.1° |
| H9 | C20 | C21 | H26 | 42.5° | 60.8° |
| H10 | C20 | C21 | H25 | 42.9° | 179.2° |
| H10 | C20 | C21 | H26 | 76.8° | 59.3° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H15 | C03 | H16 | H17 | 120.0° | 120.0° |
| H18 | C04 | C05 | H20 | 70.4° | 59.3° |
| H18 | C04 | C05 | H21 | 47.7° | 179.2° |
| H19 | C04 | C05 | H20 | 49.1° | 60.8° |
| H19 | C04 | C05 | H21 | 167.2° | 59.1° |
| H27 | C30 | N29 | H41 | 96.0° | 120.0° |
| H28 | C30 | N29 | H41 | 144.9° | 120.0° |
| H29 | C32 | C33 | H30 | 2.0° | 0.0° |
| H30 | C33 | C34 | H31 | 0.7° | 0.0° |
| H31 | C34 | C35 | H32 | 1.4° | 0.3° |
| H32 | C35 | C36 | H33 | 2.9° | 0.6° |
| H35 | C40 | C41 | H37 | 70.4° | 59.1° |
| H35 | C40 | C41 | H38 | 49.8° | 179.2° |
| H36 | C40 | C41 | H37 | 47.2° | 60.9° |
| H36 | C40 | C41 | H38 | 167.3° | 59.2° |
