A1I9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.56Å | |
| C05 | N06 | sing | 1.47Å | 1.50Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.48Å | 1.51Å | |
| C35 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.44Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.67Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C39 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C14 | N15 | sing | 1.46Å | 1.48Å | |
| N15 | C16 | sing | 1.38Å | 1.46Å | |
| C26 | C27 | doub | 1.37Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.45Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.39Å | Aromatic |
| C16 | C25 | doub | 1.46Å | 1.46Å | Aromatic |
| C16 | N17 | sing | 1.31Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| N17 | C18 | doub | 1.34Å | 1.44Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.37Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.46Å | Aromatic |
| C24 | C23 | doub | 1.47Å | 1.50Å | Aromatic |
| C18 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.46Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C30 | sing | 1.48Å | 1.56Å | |
| O32 | C30 | doub | 1.22Å | 1.30Å | |
| C30 | O31 | sing | 1.35Å | 1.29Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | 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 | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| N06 | H33 | sing | 1.01Å | 1.00Å | |
| N15 | H35 | sing | 0.97Å | 1.00Å | |
| O31 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C04 | 121.0° | 120.1° |
| C33 | C34 | C35 | 122.4° | 119.9° |
| C34 | C33 | H26 | 119.5° | 120.0° |
| C33 | C34 | H27 | 118.8° | 120.1° |
| C33 | C04 | C05 | 122.4° | 119.8° |
| C33 | C04 | C03 | 117.6° | 120.3° |
| C04 | C33 | H26 | 119.5° | 119.9° |
| C34 | C35 | C36 | 124.4° | 120.1° |
| C34 | C35 | C02 | 112.9° | 119.8° |
| C35 | C34 | H27 | 118.8° | 120.1° |
| C04 | C05 | N06 | 112.5° | 109.5° |
| C05 | C04 | C03 | 120.0° | 119.9° |
| C04 | C05 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 108.7° | 109.5° |
| C05 | N06 | C07 | 114.7° | 111.0° |
| N06 | C05 | H9 | 108.7° | 109.5° |
| N06 | C05 | H10 | 108.7° | 109.5° |
| C05 | N06 | H33 | 108.1° | 111.0° |
| C04 | C03 | C02 | 119.6° | 120.1° |
| C04 | C03 | H8 | 120.2° | 120.0° |
| C36 | C35 | C02 | 122.7° | 120.1° |
| C35 | C36 | C41 | 120.0° | 120.1° |
| C35 | C36 | C37 | 123.9° | 120.1° |
| C35 | C02 | C03 | 126.4° | 119.9° |
| C35 | C02 | CL01 | 115.3° | 120.1° |
| C36 | C41 | C40 | 121.6° | 119.8° |
| C41 | C36 | C37 | 116.0° | 119.8° |
| C36 | C41 | H32 | 119.2° | 120.1° |
| C41 | C40 | C39 | 120.6° | 120.1° |
| C41 | C40 | H31 | 119.7° | 119.9° |
| C40 | C41 | H32 | 119.2° | 120.1° |
| C36 | C37 | C38 | 123.1° | 119.9° |
| C36 | C37 | H28 | 118.4° | 120.1° |
| N06 | C07 | C08 | 109.4° | 109.4° |
| N06 | C07 | H11 | 109.5° | 109.5° |
| N06 | C07 | H12 | 109.5° | 109.5° |
| C07 | N06 | H33 | 108.1° | 111.0° |
| C07 | C08 | C09 | 114.4° | 109.5° |
| C08 | C07 | H11 | 109.5° | 109.5° |
| C08 | C07 | H12 | 109.5° | 109.5° |
| C07 | C08 | H13 | 108.2° | 109.5° |
| C07 | C08 | H14 | 108.2° | 109.5° |
| C03 | C02 | CL01 | 118.3° | 120.1° |
| C02 | C03 | H8 | 120.2° | 119.9° |
| C08 | C09 | C10 | 114.6° | 109.5° |
| C09 | C08 | H13 | 108.2° | 109.4° |
| C09 | C08 | H14 | 108.2° | 109.5° |
| C08 | C09 | H15 | 108.2° | 109.5° |
| C08 | C09 | H16 | 108.2° | 109.4° |
| C40 | C39 | C38 | 120.0° | 120.2° |
| C40 | C39 | H30 | 120.0° | 119.9° |
| C39 | C40 | H31 | 119.7° | 119.9° |
| C37 | C38 | C39 | 118.6° | 120.1° |
| C38 | C37 | H28 | 118.5° | 120.0° |
| C37 | C38 | H29 | 120.7° | 120.0° |
| C09 | C10 | C11 | 113.7° | 109.4° |
| C09 | C10 | H1 | 108.4° | 109.5° |
| C09 | C10 | H2 | 108.4° | 109.5° |
| C10 | C09 | H15 | 108.2° | 109.5° |
| C10 | C09 | H16 | 108.2° | 109.5° |
| C10 | C11 | C12 | 113.0° | 109.5° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| C10 | C11 | H18 | 108.6° | 109.5° |
| C39 | C38 | H29 | 120.7° | 119.9° |
| C38 | C39 | H30 | 120.0° | 119.9° |
| C11 | C12 | C13 | 112.9° | 109.5° |
| C12 | C11 | H17 | 108.6° | 109.4° |
| C12 | C11 | H18 | 108.6° | 109.4° |
| C11 | C12 | H19 | 108.6° | 109.4° |
| C11 | C12 | H20 | 108.6° | 109.4° |
| C12 | C13 | C14 | 112.7° | 109.5° |
| C12 | C13 | H3 | 108.7° | 109.5° |
| C12 | C13 | H4 | 108.7° | 109.5° |
| C13 | C12 | H19 | 108.6° | 109.5° |
| C13 | C12 | H20 | 108.6° | 109.5° |
| C13 | C14 | N15 | 113.9° | 109.5° |
| C14 | C13 | H3 | 108.7° | 109.5° |
| C14 | C13 | H4 | 108.6° | 109.4° |
| C13 | C14 | H21 | 108.4° | 109.5° |
| C13 | C14 | H22 | 108.3° | 109.5° |
| C14 | N15 | C16 | 123.6° | 120.0° |
| N15 | C14 | H21 | 108.4° | 109.4° |
| N15 | C14 | H22 | 108.4° | 109.4° |
| C14 | N15 | H35 | 105.8° | 120.0° |
| N15 | C16 | C25 | 121.2° | 119.7° |
| N15 | C16 | N17 | 118.2° | 119.7° |
| C16 | N15 | H35 | 105.8° | 120.0° |
| C27 | C26 | C25 | 118.2° | 118.5° |
| C26 | C27 | N28 | 122.2° | 121.8° |
| C27 | C26 | H7 | 120.9° | 120.7° |
| C26 | C27 | H24 | 118.9° | 119.1° |
| C26 | C25 | C16 | 121.3° | 122.9° |
| C26 | C25 | C24 | 119.9° | 118.3° |
| C25 | C26 | H7 | 120.9° | 120.8° |
| C27 | N28 | C29 | 120.2° | 122.6° |
| N28 | C27 | H24 | 118.9° | 119.2° |
| C25 | C16 | N17 | 120.6° | 120.5° |
| C16 | C25 | C24 | 118.9° | 118.8° |
| C16 | N17 | C18 | 121.5° | 123.4° |
| C25 | C24 | C29 | 118.3° | 119.1° |
| C25 | C24 | C23 | 120.4° | 117.7° |
| N17 | C18 | C23 | 121.1° | 121.1° |
| N17 | C18 | C19 | 119.3° | 119.9° |
| N28 | C29 | C24 | 121.2° | 119.7° |
| N28 | C29 | H25 | 119.4° | 120.1° |
| C29 | C24 | C23 | 121.3° | 123.3° |
| C24 | C29 | H25 | 119.4° | 120.2° |
| C24 | C23 | C18 | 117.5° | 118.5° |
| C24 | C23 | C22 | 122.9° | 121.3° |
| C23 | C18 | C19 | 119.6° | 119.0° |
| C18 | C23 | C22 | 119.5° | 120.3° |
| C18 | C19 | C20 | 120.6° | 119.7° |
| C18 | C19 | H23 | 119.7° | 120.2° |
| C23 | C22 | C21 | 120.2° | 120.2° |
| C23 | C22 | H6 | 119.9° | 119.9° |
| C19 | C20 | C21 | 120.6° | 120.4° |
| C19 | C20 | C30 | 119.0° | 119.8° |
| C20 | C19 | H23 | 119.7° | 120.1° |
| C22 | C21 | C20 | 119.5° | 120.5° |
| C22 | C21 | H5 | 120.2° | 119.8° |
| C21 | C22 | H6 | 119.9° | 119.9° |
| C21 | C20 | C30 | 120.4° | 119.8° |
| C20 | C21 | H5 | 120.2° | 119.8° |
| C20 | C30 | O32 | 119.9° | 120.0° |
| C20 | C30 | O31 | 119.7° | 120.0° |
| O32 | C30 | O31 | 120.4° | 120.0° |
| C30 | O31 | H36 | 109.5° | 117.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C04 | H26 | 180.0° | 179.7° |
| C33 | C34 | C35 | H27 | 180.0° | 179.8° |
| C34 | C33 | C04 | C05 | 179.6° | 180.0° |
| C34 | C33 | C04 | C03 | 1.0° | 0.0° |
| C33 | C34 | C35 | C36 | 179.5° | 180.0° |
| C33 | C34 | C35 | C02 | 0.8° | 0.5° |
| C04 | C33 | C34 | C35 | 1.2° | 0.3° |
| C33 | C04 | C05 | C03 | 179.4° | 180.0° |
| C33 | C04 | C05 | N06 | 138.3° | 90.0° |
| C33 | C04 | C03 | C02 | 0.5° | 0.1° |
| C33 | C04 | C03 | H8 | 179.5° | 180.0° |
| C33 | C04 | C05 | H9 | 17.8° | 30.1° |
| C33 | C04 | C05 | H10 | 101.3° | 150.0° |
| C04 | C33 | C34 | H27 | 178.8° | 179.9° |
| C34 | C35 | C36 | C02 | 179.7° | 179.5° |
| C34 | C35 | C36 | C41 | 40.9° | 50.3° |
| C34 | C35 | C36 | C37 | 137.9° | 130.0° |
| C34 | C35 | C02 | C03 | 0.4° | 0.6° |
| C34 | C35 | C02 | CL01 | 179.8° | 179.8° |
| C35 | C34 | C33 | H26 | 178.8° | 180.0° |
| C04 | C05 | N06 | H9 | 120.4° | 120.0° |
| C04 | C05 | N06 | H10 | 120.4° | 120.0° |
| C04 | C05 | N06 | C07 | 139.2° | 180.0° |
| C05 | C04 | C03 | C02 | 180.0° | 180.0° |
| C05 | C04 | C03 | H8 | 0.0° | 0.0° |
| C04 | C05 | H9 | H10 | 118.6° | 120.0° |
| C05 | C04 | C33 | H26 | 0.4° | 0.3° |
| C04 | C05 | N06 | H33 | 100.1° | 56.1° |
| N06 | C05 | C04 | C03 | 41.1° | 90.0° |
| C05 | N06 | C07 | H33 | 120.8° | 123.9° |
| C05 | N06 | C07 | C08 | 115.9° | 180.0° |
| N06 | C05 | H9 | H10 | 118.6° | 120.0° |
| C05 | N06 | C07 | H11 | 124.1° | 60.0° |
| C05 | N06 | C07 | H12 | 4.1° | 60.0° |
| C04 | C03 | C02 | C35 | 0.2° | 0.3° |
| C04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL01 | 179.7° | 180.0° |
| C03 | C04 | C05 | H9 | 161.6° | 150.0° |
| C03 | C04 | C05 | H10 | 79.3° | 30.0° |
| C03 | C04 | C33 | H26 | 179.0° | 179.8° |
| C35 | C36 | C41 | C37 | 178.9° | 179.7° |
| C35 | C36 | C41 | C40 | 179.1° | 179.8° |
| C36 | C35 | C02 | C03 | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 179.7° | 179.9° |
| C36 | C35 | C02 | CL01 | 0.5° | 0.3° |
| C36 | C35 | C34 | H27 | 0.5° | 0.2° |
| C35 | C36 | C37 | H28 | 0.3° | 0.0° |
| C35 | C36 | C41 | H32 | 0.8° | 0.0° |
| C02 | C35 | C36 | C41 | 139.4° | 129.2° |
| C02 | C35 | C36 | C37 | 41.7° | 50.5° |
| C35 | C02 | C03 | CL01 | 179.4° | 179.7° |
| C35 | C02 | C03 | H8 | 179.7° | 179.7° |
| C02 | C35 | C34 | H27 | 179.2° | 179.7° |
| C36 | C41 | C40 | H32 | 180.0° | 179.8° |
| C36 | C41 | C40 | C39 | 0.7° | 0.5° |
| C41 | C36 | C37 | C38 | 1.4° | 0.2° |
| C41 | C36 | C37 | H28 | 178.6° | 179.8° |
| C36 | C41 | C40 | H31 | 179.3° | 179.7° |
| C40 | C41 | C36 | C37 | 0.2° | 0.5° |
| C41 | C40 | C39 | H31 | 180.0° | 179.7° |
| C41 | C40 | C39 | C38 | 0.5° | 0.3° |
| C41 | C40 | C39 | H30 | 179.5° | 179.8° |
| C36 | C37 | C38 | H28 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 1.6° | 0.0° |
| C36 | C37 | C38 | H29 | 178.4° | 179.9° |
| C37 | C36 | C41 | H32 | 179.8° | 179.7° |
| N06 | C07 | C08 | H11 | 120.0° | 120.0° |
| N06 | C07 | C08 | H12 | 120.0° | 120.0° |
| N06 | C07 | C08 | C09 | 147.9° | 180.0° |
| C07 | N06 | C05 | H9 | 18.7° | 60.0° |
| C07 | N06 | C05 | H10 | 100.4° | 60.0° |
| N06 | C07 | H11 | H12 | 120.1° | 120.0° |
| N06 | C07 | C08 | H13 | 91.3° | 60.0° |
| N06 | C07 | C08 | H14 | 27.2° | 60.0° |
| C07 | C08 | C09 | H13 | 120.7° | 120.0° |
| C07 | C08 | C09 | H14 | 120.7° | 120.0° |
| C07 | C08 | C09 | C10 | 145.0° | 180.0° |
| C08 | C07 | H11 | H12 | 120.0° | 120.0° |
| C07 | C08 | H13 | H14 | 117.7° | 120.1° |
| C07 | C08 | C09 | H15 | 94.3° | 60.0° |
| C07 | C08 | C09 | H16 | 24.2° | 60.0° |
| C08 | C07 | N06 | H33 | 4.9° | 56.1° |
| C08 | C09 | C10 | H15 | 120.8° | 120.0° |
| C08 | C09 | C10 | H16 | 120.7° | 120.0° |
| C08 | C09 | C10 | C11 | 172.3° | 180.0° |
| C08 | C09 | C10 | H1 | 51.6° | 60.0° |
| C08 | C09 | C10 | H2 | 67.1° | 60.0° |
| C09 | C08 | C07 | H11 | 27.9° | 60.0° |
| C09 | C08 | C07 | H12 | 92.0° | 60.0° |
| C09 | C08 | H13 | H14 | 117.8° | 120.0° |
| C08 | C09 | H15 | H16 | 117.7° | 119.9° |
| C40 | C39 | C38 | C37 | 0.6° | 0.0° |
| C40 | C39 | C38 | H30 | 180.0° | 180.0° |
| C40 | C39 | C38 | H29 | 179.4° | 179.9° |
| C39 | C40 | C41 | H32 | 179.3° | 179.7° |
| C37 | C38 | C39 | H29 | 180.0° | 179.9° |
| C37 | C38 | C39 | H30 | 179.4° | 179.9° |
| CL01 | C02 | C03 | H8 | 0.3° | 0.0° |
| C09 | C10 | C11 | H1 | 120.6° | 120.0° |
| C09 | C10 | C11 | H2 | 120.6° | 120.0° |
| C09 | C10 | C11 | C12 | 116.6° | 180.0° |
| C09 | C10 | H1 | H2 | 118.1° | 120.0° |
| C10 | C09 | C08 | H13 | 24.2° | 60.0° |
| C10 | C09 | C08 | H14 | 94.3° | 60.0° |
| C10 | C09 | H15 | H16 | 117.7° | 120.1° |
| C09 | C10 | C11 | H17 | 3.9° | 60.0° |
| C09 | C10 | C11 | H18 | 122.9° | 60.0° |
| C10 | C11 | C12 | H17 | 120.5° | 120.0° |
| C10 | C11 | C12 | H18 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 132.4° | 180.0° |
| C11 | C10 | H1 | H2 | 118.1° | 120.1° |
| C11 | C10 | C09 | H15 | 67.0° | 60.0° |
| C11 | C10 | C09 | H16 | 51.5° | 60.0° |
| C10 | C11 | H17 | H18 | 118.4° | 120.1° |
| C10 | C11 | C12 | H19 | 11.9° | 60.0° |
| C10 | C11 | C12 | H20 | 107.1° | 60.0° |
| C39 | C38 | C37 | H28 | 178.4° | 180.0° |
| C38 | C39 | C40 | H31 | 179.4° | 180.0° |
| C11 | C12 | C13 | H19 | 120.5° | 120.0° |
| C11 | C12 | C13 | H20 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 102.7° | 180.0° |
| C12 | C11 | C10 | H1 | 122.8° | 60.0° |
| C12 | C11 | C10 | H2 | 4.0° | 60.0° |
| C11 | C12 | C13 | H3 | 17.8° | 60.0° |
| C11 | C12 | C13 | H4 | 136.9° | 60.0° |
| C12 | C11 | H17 | H18 | 118.4° | 120.0° |
| C11 | C12 | H19 | H20 | 118.4° | 120.0° |
| C12 | C13 | C14 | H3 | 120.5° | 120.0° |
| C12 | C13 | C14 | H4 | 120.5° | 120.0° |
| C12 | C13 | C14 | N15 | 52.4° | 180.0° |
| C12 | C13 | H3 | H4 | 118.5° | 120.0° |
| C13 | C12 | C11 | H17 | 107.1° | 60.0° |
| C13 | C12 | C11 | H18 | 11.9° | 60.0° |
| C13 | C12 | H19 | H20 | 118.4° | 120.0° |
| C12 | C13 | C14 | H21 | 173.1° | 60.0° |
| C12 | C13 | C14 | H22 | 68.3° | 60.0° |
| C13 | C14 | N15 | H21 | 120.7° | 120.0° |
| C13 | C14 | N15 | H22 | 120.7° | 120.0° |
| C13 | C14 | N15 | C16 | 125.6° | 180.0° |
| C14 | C13 | H3 | H4 | 118.5° | 119.9° |
| C14 | C13 | C12 | H19 | 136.8° | 60.0° |
| C14 | C13 | C12 | H20 | 17.8° | 60.0° |
| C13 | C14 | H21 | H22 | 117.9° | 120.0° |
| C13 | C14 | N15 | H35 | 3.7° | 0.0° |
| C14 | N15 | C16 | H35 | 121.9° | 180.0° |
| C14 | N15 | C16 | C25 | 161.1° | 180.0° |
| C14 | N15 | C16 | N17 | 18.8° | 0.0° |
| N15 | C14 | C13 | H3 | 68.1° | 60.0° |
| N15 | C14 | C13 | H4 | 172.9° | 60.0° |
| N15 | C14 | H21 | H22 | 118.0° | 119.9° |
| N15 | C16 | C25 | C26 | 0.5° | 0.0° |
| N15 | C16 | C25 | N17 | 179.9° | 180.0° |
| N15 | C16 | C25 | C24 | 179.9° | 180.0° |
| N15 | C16 | N17 | C18 | 179.9° | 180.0° |
| C16 | N15 | C14 | H21 | 113.7° | 60.0° |
| C16 | N15 | C14 | H22 | 5.0° | 60.0° |
| C27 | C26 | C25 | H7 | 180.0° | 179.9° |
| C26 | C27 | N28 | H24 | 180.0° | 179.9° |
| C27 | C26 | C25 | C16 | 179.9° | 179.9° |
| C27 | C26 | C25 | C24 | 0.7° | 0.1° |
| C26 | C27 | N28 | C29 | 0.3° | 0.0° |
| C25 | C26 | C27 | N28 | 0.4° | 0.1° |
| C26 | C25 | C16 | C24 | 179.4° | 180.0° |
| C26 | C25 | C16 | N17 | 179.4° | 180.0° |
| C26 | C25 | C24 | C29 | 0.8° | 0.0° |
| C26 | C25 | C24 | C23 | 179.3° | 180.0° |
| C25 | C26 | C27 | H24 | 179.6° | 180.0° |
| C27 | N28 | C29 | C24 | 0.4° | 0.1° |
| N28 | C27 | C26 | H7 | 179.5° | 179.9° |
| C27 | N28 | C29 | H25 | 179.6° | 180.0° |
| C25 | C16 | N17 | C18 | 0.2° | 0.0° |
| C16 | C25 | C24 | C29 | 179.8° | 180.0° |
| C16 | C25 | C24 | C23 | 0.1° | 0.0° |
| C16 | C25 | C26 | H7 | 0.1° | 0.1° |
| C25 | C16 | N15 | H35 | 76.9° | 0.0° |
| N17 | C16 | C25 | C24 | 0.0° | 0.0° |
| C16 | N17 | C18 | C23 | 0.5° | 0.0° |
| C16 | N17 | C18 | C19 | 179.3° | 180.0° |
| N17 | C16 | N15 | H35 | 103.2° | 180.0° |
| C25 | C24 | C29 | N28 | 0.7° | 0.1° |
| C25 | C24 | C29 | C23 | 179.9° | 180.0° |
| C25 | C24 | C23 | C18 | 0.4° | 0.0° |
| C25 | C24 | C23 | C22 | 179.6° | 179.2° |
| C24 | C25 | C26 | H7 | 179.3° | 179.9° |
| C25 | C24 | C29 | H25 | 179.4° | 180.0° |
| N17 | C18 | C23 | C24 | 0.6° | 0.0° |
| N17 | C18 | C23 | C19 | 179.8° | 180.0° |
| N17 | C18 | C23 | C22 | 179.8° | 179.2° |
| N17 | C18 | C19 | C20 | 180.0° | 179.4° |
| N17 | C18 | C19 | H23 | 0.1° | 0.0° |
| N28 | C29 | C24 | H25 | 180.0° | 179.9° |
| N28 | C29 | C24 | C23 | 179.4° | 180.0° |
| C29 | N28 | C27 | H24 | 179.7° | 179.9° |
| C29 | C24 | C23 | C18 | 179.5° | 180.0° |
| C29 | C24 | C23 | C22 | 0.3° | 0.8° |
| C24 | C23 | C18 | C22 | 179.2° | 179.2° |
| C24 | C23 | C18 | C19 | 179.2° | 180.0° |
| C24 | C23 | C22 | C21 | 179.4° | 179.7° |
| C24 | C23 | C22 | H6 | 0.6° | 0.3° |
| C23 | C24 | C29 | H25 | 0.5° | 0.0° |
| C23 | C18 | C19 | C20 | 0.2° | 0.6° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C18 | C23 | C22 | H6 | 179.8° | 179.5° |
| C23 | C18 | C19 | H23 | 179.8° | 180.0° |
| C19 | C18 | C23 | C22 | 0.0° | 0.8° |
| C18 | C19 | C20 | H23 | 180.0° | 179.4° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C18 | C19 | C20 | C30 | 179.8° | 179.7° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.1° |
| C23 | C22 | C21 | H5 | 179.7° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | C30 | 179.9° | 179.7° |
| C19 | C20 | C30 | O32 | 14.5° | 0.3° |
| C19 | C20 | C30 | O31 | 164.7° | 179.7° |
| C19 | C20 | C21 | H5 | 179.8° | 179.7° |
| C22 | C21 | C20 | H5 | 180.0° | 180.0° |
| C22 | C21 | C20 | C30 | 179.9° | 180.0° |
| C21 | C20 | C30 | O32 | 165.4° | 180.0° |
| C21 | C20 | C30 | O31 | 15.4° | 0.0° |
| C20 | C21 | C22 | H6 | 179.7° | 180.0° |
| C21 | C20 | C19 | H23 | 180.0° | 179.5° |
| C20 | C30 | O32 | O31 | 179.2° | 180.0° |
| C30 | C20 | C21 | H5 | 0.1° | 0.0° |
| C30 | C20 | C19 | H23 | 0.1° | 0.2° |
| C20 | C30 | O31 | H36 | 179.2° | 180.0° |
| O32 | C30 | O31 | H36 | 0.0° | 0.0° |
| H1 | C10 | C09 | H15 | 172.4° | 60.0° |
| H1 | C10 | C09 | H16 | 69.1° | 180.0° |
| H1 | C10 | C11 | H17 | 116.7° | 180.0° |
| H1 | C10 | C11 | H18 | 2.3° | 60.0° |
| H2 | C10 | C09 | H15 | 53.6° | 180.0° |
| H2 | C10 | C09 | H16 | 172.1° | 60.0° |
| H2 | C10 | C11 | H17 | 124.5° | 60.0° |
| H2 | C10 | C11 | H18 | 116.5° | 180.0° |
| H3 | C13 | C12 | H19 | 102.7° | 60.0° |
| H3 | C13 | C12 | H20 | 138.3° | 180.0° |
| H3 | C13 | C14 | H21 | 52.6° | 180.0° |
| H3 | C13 | C14 | H22 | 171.2° | 60.0° |
| H4 | C13 | C12 | H19 | 16.3° | 180.0° |
| H4 | C13 | C12 | H20 | 102.7° | 60.0° |
| H4 | C13 | C14 | H21 | 66.4° | 60.0° |
| H4 | C13 | C14 | H22 | 52.2° | 180.0° |
| H5 | C21 | C22 | H6 | 0.3° | 0.0° |
| H7 | C26 | C27 | H24 | 0.5° | 0.1° |
| H9 | C05 | N06 | H33 | 139.5° | 176.1° |
| H10 | C05 | N06 | H33 | 20.4° | 64.0° |
| H11 | C07 | C08 | H13 | 148.7° | 60.0° |
| H11 | C07 | C08 | H14 | 92.8° | 180.0° |
| H11 | C07 | N06 | H33 | 115.1° | 63.9° |
| H12 | C07 | C08 | H13 | 28.7° | 180.0° |
| H12 | C07 | C08 | H14 | 147.2° | 60.0° |
| H12 | C07 | N06 | H33 | 124.9° | 176.1° |
| H13 | C08 | C09 | H15 | 145.0° | 60.0° |
| H13 | C08 | C09 | H16 | 96.5° | 180.0° |
| H14 | C08 | C09 | H15 | 26.5° | 180.0° |
| H14 | C08 | C09 | H16 | 145.0° | 60.0° |
| H17 | C11 | C12 | H19 | 132.4° | 60.0° |
| H17 | C11 | C12 | H20 | 13.4° | NaN° |
| H18 | C11 | C12 | H19 | 108.6° | 180.0° |
| H18 | C11 | C12 | H20 | 132.4° | 60.0° |
| H21 | C14 | N15 | H35 | 124.4° | 120.1° |
| H22 | C14 | N15 | H35 | 117.0° | 120.0° |
| H26 | C33 | C34 | H27 | 1.2° | 0.2° |
| H28 | C37 | C38 | H29 | 1.6° | 0.1° |
| H29 | C38 | C39 | H30 | 0.6° | 0.0° |
| H30 | C39 | C40 | H31 | 0.6° | 0.0° |
| H31 | C40 | C41 | H32 | 0.7° | 0.1° |
