0AE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.56Å | |
| C04 | N05 | sing | 1.48Å | 1.43Å | |
| C04 | C41 | sing | 1.52Å | 1.42Å | |
| C06 | N05 | sing | 1.47Å | 1.10Å | |
| C06 | C07 | sing | 1.51Å | 1.58Å | |
| C32 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.50Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
| N05 | C40 | sing | 1.48Å | 1.41Å | |
| C44 | C41 | sing | 1.53Å | 1.54Å | |
| C44 | C43 | sing | 1.54Å | 1.53Å | |
| C39 | C07 | doub | 1.36Å | 1.54Å | Aromatic |
| C39 | C38 | sing | 1.41Å | 1.57Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.56Å | Aromatic |
| C41 | C40 | sing | 1.52Å | 1.44Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.41Å | 1.57Å | Aromatic |
| C37 | C36 | doub | 1.36Å | 1.56Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C26 | N25 | sing | 1.47Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.55Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.50Å | Aromatic |
| C38 | C10 | doub | 1.42Å | 1.54Å | Aromatic |
| C43 | C42 | sing | 1.54Å | 1.53Å | |
| C08 | C09 | doub | 1.36Å | 1.56Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.56Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.54Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.55Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | N19 | sing | 1.47Å | 1.52Å | |
| C29 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| N25 | C24 | sing | 1.39Å | 1.52Å | |
| C33 | C24 | doub | 1.39Å | 1.52Å | Aromatic |
| C33 | C20 | sing | 1.39Å | 1.49Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.46Å | |
| C35 | C11 | doub | 1.38Å | 1.55Å | Aromatic |
| N19 | C20 | sing | 1.39Å | 1.49Å | |
| N19 | C18 | sing | 1.47Å | 1.53Å | |
| C11 | N12 | sing | 1.39Å | 1.49Å | |
| C24 | N23 | sing | 1.33Å | 1.44Å | Aromatic |
| C20 | N21 | doub | 1.33Å | 1.44Å | Aromatic |
| C18 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.44Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C14 | O34 | sing | 1.43Å | 1.45Å | |
| N23 | C22 | doub | 1.32Å | 1.50Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.50Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | 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 | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.08Å | 1.08Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | 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 | |
| C39 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C43 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| N25 | H46 | sing | 0.97Å | 1.00Å | |
| O34 | H47 | sing | 0.97Å | 0.95Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| N05 | H35 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 111.2° | 109.5° |
| C03 | C02 | C04 | 112.0° | 109.4° |
| C03 | C02 | H14 | 107.3° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C01 | C02 | C04 | 111.3° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.4° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 107.6° | 109.5° |
| C02 | C04 | N05 | 114.2° | 113.5° |
| C02 | C04 | C41 | 107.4° | 113.5° |
| C04 | C02 | H14 | 107.2° | 109.5° |
| C02 | C04 | H18 | 113.1° | 112.8° |
| N05 | C04 | C41 | 88.7° | 87.6° |
| C04 | N05 | C06 | 112.9° | 113.4° |
| C04 | N05 | C40 | 88.5° | 88.2° |
| N05 | C04 | H18 | 115.3° | 113.6° |
| C04 | N05 | H35 | 110.4° | 113.4° |
| C04 | C41 | C44 | 108.9° | 121.9° |
| C04 | C41 | C40 | 87.9° | 84.8° |
| C04 | C41 | C42 | 150.8° | 122.0° |
| C41 | C04 | H18 | 115.7° | 113.6° |
| N05 | C06 | C07 | 105.6° | 109.5° |
| C06 | N05 | C40 | 114.1° | 113.3° |
| N05 | C06 | H19 | 110.4° | 109.5° |
| N05 | C06 | H20 | 110.4° | 109.4° |
| C06 | N05 | H35 | 116.8° | 112.9° |
| C06 | C07 | C39 | 120.2° | 119.5° |
| C06 | C07 | C08 | 119.6° | 119.5° |
| C07 | C06 | H19 | 110.4° | 109.5° |
| C07 | C06 | H20 | 110.4° | 109.5° |
| C31 | C32 | C27 | 119.8° | 119.9° |
| C32 | C31 | C30 | 121.0° | 120.0° |
| C32 | C31 | H29 | 119.5° | 120.0° |
| C31 | C32 | H30 | 120.1° | 120.0° |
| C32 | C27 | C26 | 119.4° | 120.0° |
| C32 | C27 | C28 | 119.2° | 120.1° |
| C27 | C32 | H30 | 120.1° | 120.1° |
| C31 | C30 | C29 | 119.3° | 120.0° |
| C31 | C30 | H28 | 120.4° | 120.0° |
| C30 | C31 | H29 | 119.5° | 120.0° |
| N05 | C40 | C41 | 88.4° | 87.5° |
| N05 | C40 | H37 | 114.4° | 113.5° |
| N05 | C40 | H38 | 114.4° | 113.6° |
| C40 | N05 | H35 | 110.7° | 113.4° |
| C41 | C44 | C43 | 89.2° | 86.6° |
| C44 | C41 | C40 | 112.1° | 121.9° |
| C44 | C41 | C42 | 89.3° | 88.4° |
| C41 | C44 | H43 | 114.2° | 113.7° |
| C41 | C44 | H44 | 114.2° | 113.7° |
| C44 | C43 | C42 | 90.4° | 87.4° |
| C44 | C43 | H41 | 114.0° | 113.5° |
| C44 | C43 | H42 | 114.0° | 113.6° |
| C43 | C44 | H43 | 114.3° | 113.6° |
| C43 | C44 | H44 | 114.3° | 113.7° |
| C07 | C39 | C38 | 119.5° | 119.6° |
| C39 | C07 | C08 | 120.1° | 121.0° |
| C07 | C39 | H36 | 120.2° | 120.2° |
| C39 | C38 | C37 | 120.4° | 121.1° |
| C39 | C38 | C10 | 119.6° | 119.4° |
| C38 | C39 | H36 | 120.3° | 120.2° |
| C07 | C08 | C09 | 120.4° | 121.0° |
| C07 | C08 | H21 | 119.8° | 119.5° |
| C40 | C41 | C42 | 106.6° | 122.0° |
| C41 | C40 | H37 | 114.4° | 113.6° |
| C41 | C40 | H38 | 114.4° | 113.5° |
| C41 | C42 | C43 | 88.8° | 86.7° |
| C41 | C42 | H39 | 114.4° | 113.7° |
| C41 | C42 | H40 | 114.4° | 113.7° |
| C38 | C37 | C36 | 120.3° | 120.0° |
| C37 | C38 | C10 | 120.1° | 119.5° |
| C38 | C37 | H34 | 119.9° | 120.1° |
| C37 | C36 | C35 | 119.0° | 121.0° |
| C37 | C36 | H33 | 120.5° | 119.5° |
| C36 | C37 | H34 | 119.9° | 119.9° |
| C27 | C26 | N25 | 116.5° | 109.5° |
| C26 | C27 | C28 | 121.4° | 120.0° |
| C27 | C26 | H8 | 107.7° | 109.5° |
| C27 | C26 | H9 | 107.7° | 109.5° |
| C26 | N25 | C24 | 125.1° | 120.0° |
| N25 | C26 | H8 | 107.7° | 109.5° |
| N25 | C26 | H9 | 107.7° | 109.5° |
| C26 | N25 | H46 | 105.4° | 120.0° |
| C27 | C28 | C29 | 120.4° | 120.0° |
| C27 | C28 | H10 | 119.8° | 120.0° |
| C30 | C29 | C28 | 120.3° | 120.0° |
| C30 | C29 | H27 | 119.8° | 120.0° |
| C29 | C30 | H28 | 120.4° | 120.0° |
| C38 | C10 | C09 | 121.7° | 119.4° |
| C38 | C10 | C11 | 119.8° | 119.3° |
| C43 | C42 | H39 | 114.3° | 113.7° |
| C43 | C42 | H40 | 114.4° | 113.8° |
| C42 | C43 | H41 | 114.0° | 113.6° |
| C42 | C43 | H42 | 114.0° | 113.6° |
| C08 | C09 | C10 | 118.7° | 119.6° |
| C09 | C08 | H21 | 119.8° | 119.5° |
| C08 | C09 | H22 | 120.6° | 120.2° |
| C36 | C35 | C11 | 120.4° | 120.8° |
| C36 | C35 | H32 | 119.8° | 119.6° |
| C35 | C36 | H33 | 120.5° | 119.5° |
| C09 | C10 | C11 | 118.5° | 121.2° |
| C10 | C09 | H22 | 120.6° | 120.2° |
| C10 | C11 | C35 | 120.4° | 119.4° |
| C10 | C11 | N12 | 118.3° | 120.3° |
| C16 | C17 | N19 | 114.0° | 109.5° |
| C17 | C16 | C15 | 116.4° | 109.3° |
| C16 | C17 | H5 | 108.4° | 109.5° |
| C16 | C17 | H6 | 108.3° | 109.4° |
| C17 | C16 | H23 | 107.7° | 109.4° |
| C17 | C16 | H24 | 107.7° | 109.5° |
| C17 | N19 | C20 | 116.9° | 111.0° |
| C17 | N19 | C18 | 110.4° | 111.2° |
| N19 | C17 | H5 | 108.3° | 109.5° |
| N19 | C17 | H6 | 108.3° | 109.4° |
| C29 | C28 | H10 | 119.8° | 120.0° |
| C28 | C29 | H27 | 119.9° | 120.0° |
| N25 | C24 | C33 | 120.5° | 120.5° |
| N25 | C24 | N23 | 120.9° | 120.4° |
| C24 | N25 | H46 | 105.5° | 120.0° |
| C24 | C33 | C20 | 120.2° | 118.3° |
| C33 | C24 | N23 | 118.6° | 119.1° |
| C24 | C33 | H31 | 119.9° | 120.9° |
| C33 | C20 | N19 | 116.6° | 120.5° |
| C33 | C20 | N21 | 121.6° | 119.0° |
| C20 | C33 | H31 | 119.9° | 120.9° |
| C16 | C15 | C14 | 117.2° | 109.2° |
| C16 | C15 | H3 | 107.5° | 109.5° |
| C16 | C15 | H4 | 107.5° | 109.6° |
| C15 | C16 | H23 | 107.7° | 109.5° |
| C15 | C16 | H24 | 107.7° | 109.6° |
| C35 | C11 | N12 | 121.3° | 120.3° |
| C11 | C35 | H32 | 119.8° | 119.6° |
| C20 | N19 | C18 | 125.0° | 111.0° |
| N19 | C20 | N21 | 121.8° | 120.4° |
| N19 | C18 | C14 | 111.0° | 109.5° |
| N19 | C18 | H25 | 109.1° | 109.5° |
| N19 | C18 | H26 | 109.1° | 109.5° |
| C11 | N12 | C13 | 118.7° | 120.0° |
| C11 | N12 | H48 | 107.1° | 120.0° |
| C24 | N23 | C22 | 120.5° | 120.8° |
| C20 | N21 | C22 | 118.1° | 120.9° |
| C18 | C14 | C15 | 113.5° | 109.3° |
| C18 | C14 | C13 | 109.7° | 109.5° |
| C18 | C14 | O34 | 107.9° | 109.6° |
| C14 | C18 | H25 | 109.1° | 109.4° |
| C14 | C18 | H26 | 109.1° | 109.5° |
| C15 | C14 | C13 | 107.7° | 109.5° |
| C15 | C14 | O34 | 109.4° | 109.5° |
| C14 | C15 | H3 | 107.5° | 109.5° |
| C14 | C15 | H4 | 107.5° | 109.5° |
| N12 | C13 | C14 | 108.8° | 109.5° |
| N12 | C13 | H1 | 109.6° | 109.5° |
| N12 | C13 | H2 | 109.7° | 109.5° |
| C13 | N12 | H48 | 107.1° | 120.0° |
| C13 | C14 | O34 | 108.6° | 109.5° |
| C14 | C13 | H1 | 109.6° | 109.5° |
| C14 | C13 | H2 | 109.6° | 109.5° |
| C14 | O34 | H47 | 109.5° | 114.0° |
| N23 | C22 | N21 | 121.0° | 121.9° |
| N23 | C22 | H7 | 119.5° | 119.0° |
| N21 | C22 | H7 | 119.5° | 119.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.4° |
| H8 | C26 | H9 | 109.4° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H17 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.4° | 109.5° |
| H19 | C06 | H20 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H37 | C40 | H38 | 109.5° | 112.8° |
| H39 | C42 | H40 | 109.5° | 112.9° |
| H41 | C43 | H42 | 109.4° | 112.8° |
| H43 | C44 | H44 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 125.6° | 120.0° |
| C03 | C02 | C01 | H14 | 117.2° | 120.0° |
| C03 | C02 | C04 | H14 | 117.4° | 120.0° |
| C03 | C02 | C04 | N05 | 62.5° | 53.6° |
| C03 | C02 | C04 | C41 | 159.2° | 151.6° |
| C03 | C02 | C01 | H11 | 180.0° | 53.0° |
| C03 | C02 | C01 | H12 | 60.0° | 66.9° |
| C03 | C02 | C01 | H13 | 60.0° | 173.1° |
| 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 | 72.0° | 77.4° |
| C01 | C02 | C04 | H14 | 117.4° | 120.0° |
| C01 | C02 | C04 | N05 | 172.3° | 173.6° |
| C01 | C02 | C04 | C41 | 75.7° | 88.4° |
| C02 | C01 | H11 | H12 | 120.0° | 119.9° |
| C02 | C01 | H11 | H13 | 120.0° | 120.1° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 180.0° | 173.0° |
| C01 | C02 | C03 | H16 | 60.0° | 53.0° |
| C01 | C02 | C03 | H17 | 60.0° | 67.0° |
| C01 | C02 | C04 | H18 | 53.2° | 42.6° |
| C02 | C04 | N05 | C41 | 108.6° | 114.7° |
| C02 | C04 | N05 | H18 | 133.5° | 130.6° |
| C02 | C04 | C41 | H18 | 127.3° | 130.6° |
| C02 | C04 | N05 | C06 | 116.5° | 104.6° |
| C02 | C04 | N05 | C40 | 127.8° | 140.7° |
| C02 | C04 | C41 | C44 | 113.5° | 95.3° |
| C02 | C04 | C41 | C40 | 133.9° | 140.0° |
| C02 | C04 | C41 | C42 | 12.3° | 15.1° |
| C04 | C02 | C01 | H11 | 54.4° | 66.9° |
| C04 | C02 | C01 | H12 | 65.6° | 173.1° |
| C04 | C02 | C01 | H13 | 174.4° | 53.1° |
| C04 | C02 | C03 | H15 | 54.8° | 67.0° |
| C04 | C02 | C03 | H16 | 174.8° | 173.0° |
| C04 | C02 | C03 | H17 | 65.3° | 53.0° |
| C02 | C04 | N05 | H35 | 16.3° | 25.9° |
| N05 | C04 | C41 | H18 | 117.6° | 114.7° |
| C04 | N05 | C06 | C40 | 99.1° | 98.6° |
| C04 | N05 | C06 | H35 | 129.6° | 130.8° |
| C04 | N05 | C06 | C07 | 166.2° | 175.0° |
| C04 | N05 | C40 | H35 | 111.2° | 114.8° |
| N05 | C04 | C41 | C44 | 131.5° | 150.0° |
| N05 | C04 | C41 | C40 | 18.8° | 25.3° |
| N05 | C04 | C41 | C42 | 102.7° | 99.6° |
| N05 | C04 | C02 | H14 | 54.9° | 66.4° |
| C04 | N05 | C06 | H19 | 74.4° | 64.9° |
| C04 | N05 | C06 | H20 | 46.8° | 55.0° |
| C04 | N05 | C40 | H37 | 135.1° | 88.7° |
| C04 | N05 | C40 | H38 | 97.4° | 140.7° |
| C41 | C04 | N05 | C06 | 134.9° | 140.7° |
| C04 | C41 | C44 | C40 | 95.6° | 105.3° |
| C04 | C41 | C44 | C42 | 156.7° | 127.3° |
| C04 | C41 | C44 | C43 | 168.2° | 102.6° |
| C04 | C41 | C40 | C42 | 154.3° | 124.8° |
| C04 | C41 | C42 | C43 | 141.4° | 102.6° |
| C41 | C04 | C02 | H14 | 41.7° | 31.6° |
| C04 | C41 | C40 | H37 | 135.4° | 89.4° |
| C04 | C41 | C40 | H38 | 97.1° | 140.0° |
| C04 | C41 | C42 | H39 | 25.1° | 11.9° |
| C04 | C41 | C42 | H40 | 102.3° | 142.9° |
| C04 | C41 | C44 | H43 | 75.4° | 143.0° |
| C04 | C41 | C44 | H44 | 51.8° | 11.8° |
| C41 | C04 | N05 | H35 | 92.2° | 88.8° |
| N05 | C06 | C07 | H19 | 119.4° | 120.1° |
| N05 | C06 | C07 | H20 | 119.4° | 119.9° |
| C06 | N05 | C40 | H35 | 134.2° | 130.4° |
| N05 | C06 | C07 | C39 | 133.4° | 90.9° |
| N05 | C06 | C07 | C08 | 45.5° | 89.9° |
| C06 | N05 | C40 | C41 | 133.4° | 140.8° |
| C06 | N05 | C04 | H18 | 16.9° | 25.9° |
| N05 | C06 | H19 | H20 | 121.8° | 119.9° |
| C06 | N05 | C40 | H37 | 110.4° | 26.1° |
| C06 | N05 | C40 | H38 | 17.1° | 104.5° |
| C07 | C06 | N05 | C40 | 67.2° | 86.4° |
| C06 | C07 | C39 | C08 | 178.9° | 179.1° |
| C06 | C07 | C39 | C38 | 178.2° | 180.0° |
| C06 | C07 | C08 | C09 | 178.3° | 180.0° |
| C07 | C06 | H19 | H20 | 121.8° | 120.0° |
| C06 | C07 | C08 | H21 | 1.7° | 0.0° |
| C06 | C07 | C39 | H36 | 1.8° | 0.9° |
| C07 | C06 | N05 | H35 | 64.1° | 44.2° |
| C31 | C32 | C27 | H30 | 180.0° | 179.7° |
| C32 | C31 | C30 | H29 | 180.0° | 179.6° |
| C31 | C32 | C27 | C26 | 179.9° | 180.0° |
| C31 | C32 | C27 | C28 | 0.3° | 0.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.4° |
| C32 | C31 | C30 | H28 | 179.9° | 179.7° |
| C27 | C32 | C31 | C30 | 0.1° | 0.3° |
| C32 | C27 | C26 | C28 | 179.5° | 179.9° |
| C32 | C27 | C26 | N25 | 170.0° | 90.1° |
| C32 | C27 | C28 | C29 | 0.4° | 0.4° |
| C32 | C27 | C26 | H8 | 49.0° | 30.0° |
| C32 | C27 | C26 | H9 | 69.0° | 149.9° |
| C32 | C27 | C28 | H10 | 179.6° | 180.0° |
| C27 | C32 | C31 | H29 | 179.9° | 179.9° |
| C31 | C30 | C29 | H28 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C31 | C30 | C29 | H27 | 179.9° | 179.9° |
| C30 | C31 | C32 | H30 | 179.9° | 180.0° |
| N05 | C40 | C41 | C44 | 128.7° | 150.0° |
| N05 | C40 | C41 | H37 | 116.2° | 114.6° |
| N05 | C40 | C41 | H38 | 116.2° | 114.7° |
| N05 | C40 | C41 | C42 | 135.2° | 99.6° |
| C40 | N05 | C04 | H18 | 98.7° | 88.8° |
| C40 | N05 | C06 | H19 | 173.5° | 33.7° |
| C40 | N05 | C06 | H20 | 52.2° | 153.6° |
| N05 | C40 | H37 | H38 | 130.0° | 131.0° |
| C41 | C44 | C43 | H43 | 116.4° | 114.4° |
| C41 | C44 | C43 | H44 | 116.4° | 114.5° |
| C44 | C41 | C40 | C42 | 96.1° | 110.5° |
| C41 | C44 | C43 | C42 | 11.7° | 24.5° |
| C44 | C41 | C04 | H18 | 13.9° | 35.3° |
| C44 | C41 | C40 | H37 | 115.1° | 35.4° |
| C44 | C41 | C40 | H38 | 12.5° | 95.3° |
| C44 | C41 | C42 | H39 | 104.8° | 139.2° |
| C44 | C41 | C42 | H40 | 127.8° | 89.8° |
| C41 | C44 | C43 | H41 | 105.0° | 90.2° |
| C41 | C44 | C43 | H42 | 128.3° | 139.1° |
| C41 | C44 | H43 | H44 | 129.6° | 131.5° |
| C43 | C44 | C41 | C40 | 96.2° | 152.1° |
| C44 | C43 | C42 | H41 | 116.7° | 114.6° |
| C44 | C43 | C42 | H42 | 116.6° | 114.7° |
| C44 | C43 | C42 | H39 | 104.8° | 138.9° |
| C44 | C43 | C42 | H40 | 127.9° | 90.0° |
| C44 | C43 | H41 | H42 | 129.0° | 131.1° |
| C43 | C44 | H43 | H44 | 129.6° | 131.5° |
| C07 | C39 | C38 | H36 | 180.0° | 179.2° |
| C07 | C39 | C38 | C37 | 179.9° | 180.0° |
| C07 | C39 | C38 | C10 | 0.0° | 0.5° |
| C39 | C07 | C08 | C09 | 0.6° | 0.9° |
| C39 | C07 | C06 | H19 | 107.2° | 29.2° |
| C39 | C07 | C06 | H20 | 14.0° | 149.1° |
| C39 | C07 | C08 | H21 | 179.4° | 179.2° |
| C38 | C39 | C07 | C08 | 0.7° | 0.8° |
| C39 | C38 | C37 | C10 | 179.9° | 179.5° |
| C39 | C38 | C37 | C36 | 179.9° | 180.0° |
| C39 | C38 | C10 | C09 | 0.9° | 0.2° |
| C39 | C38 | C10 | C11 | 179.1° | 180.0° |
| C39 | C38 | C37 | H34 | 0.1° | 0.6° |
| C07 | C08 | C09 | H21 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.6° |
| C08 | C07 | C06 | H19 | 73.9° | 150.0° |
| C08 | C07 | C06 | H20 | 164.9° | 30.0° |
| C07 | C08 | C09 | H22 | 179.9° | 179.4° |
| C08 | C07 | C39 | H36 | 179.3° | 180.0° |
| C40 | C41 | C42 | C43 | 101.4° | 152.0° |
| C40 | C41 | C04 | H18 | 98.8° | 89.4° |
| C41 | C40 | H37 | H38 | 130.0° | 131.0° |
| C40 | C41 | C42 | H39 | 142.3° | 93.5° |
| C40 | C41 | C42 | H40 | 14.9° | 37.5° |
| C40 | C41 | C44 | H43 | 20.2° | 37.7° |
| C40 | C41 | C44 | H44 | 147.4° | 93.5° |
| C41 | C40 | N05 | H35 | 92.4° | 88.8° |
| C41 | C42 | C43 | H39 | 116.3° | 114.4° |
| C41 | C42 | C43 | H40 | 116.3° | 114.5° |
| C42 | C41 | C04 | H18 | 139.7° | 145.7° |
| C42 | C41 | C40 | H37 | 18.9° | 145.8° |
| C42 | C41 | C40 | H38 | 108.6° | 15.1° |
| C41 | C42 | H39 | H40 | 129.8° | 131.4° |
| C41 | C42 | C43 | H41 | 105.1° | 90.1° |
| C41 | C42 | C43 | H42 | 128.2° | 139.2° |
| C42 | C41 | C44 | H43 | 127.9° | 89.7° |
| C42 | C41 | C44 | H44 | 104.9° | 139.2° |
| C38 | C37 | C36 | H34 | 180.0° | 179.4° |
| C38 | C37 | C36 | C35 | 0.2° | 0.3° |
| C37 | C38 | C10 | C09 | 179.3° | 179.7° |
| C37 | C38 | C10 | C11 | 1.0° | 0.5° |
| C38 | C37 | C36 | H33 | 179.8° | 179.7° |
| C37 | C38 | C39 | H36 | 0.1° | 0.8° |
| C36 | C37 | C38 | C10 | 0.2° | 0.5° |
| C37 | C36 | C35 | H33 | 180.0° | 180.0° |
| C37 | C36 | C35 | C11 | 0.2° | 0.0° |
| C37 | C36 | C35 | H32 | 179.8° | 180.0° |
| C27 | C26 | N25 | H8 | 121.1° | 120.0° |
| C27 | C26 | N25 | H9 | 121.0° | 120.0° |
| C26 | C27 | C28 | C29 | 179.9° | 179.7° |
| C27 | C26 | N25 | C24 | 72.8° | 180.0° |
| C27 | C26 | H8 | H9 | 116.8° | 120.0° |
| C26 | C27 | C28 | H10 | 0.1° | 0.1° |
| C26 | C27 | C32 | H30 | 0.1° | 0.3° |
| C27 | C26 | N25 | H46 | 165.1° | 0.0° |
| N25 | C26 | C27 | C28 | 9.5° | 90.0° |
| C26 | N25 | C24 | H46 | 122.1° | 180.0° |
| C26 | N25 | C24 | C33 | 18.9° | 0.0° |
| C26 | N25 | C24 | N23 | 160.4° | 180.0° |
| N25 | C26 | H8 | H9 | 116.8° | 120.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | H10 | 180.0° | 179.7° |
| C28 | C27 | C26 | H8 | 130.5° | 150.0° |
| C28 | C27 | C26 | H9 | 111.5° | 30.0° |
| C27 | C28 | C29 | H27 | 179.8° | 179.7° |
| C28 | C27 | C32 | H30 | 179.6° | 179.7° |
| C30 | C29 | C28 | H27 | 180.0° | 180.0° |
| C30 | C29 | C28 | H10 | 179.9° | 179.9° |
| C29 | C30 | C31 | H29 | 179.9° | 180.0° |
| C38 | C10 | C09 | C08 | 0.9° | 0.2° |
| C38 | C10 | C09 | C11 | 178.3° | 179.8° |
| C38 | C10 | C11 | C35 | 1.4° | 0.3° |
| C38 | C10 | C11 | N12 | 178.7° | 179.7° |
| C38 | C10 | C09 | H22 | 179.1° | 179.7° |
| C10 | C38 | C37 | H34 | 179.8° | 180.0° |
| C10 | C38 | C39 | H36 | 180.0° | 179.7° |
| C43 | C42 | H39 | H40 | 129.8° | 131.5° |
| C42 | C43 | H41 | H42 | 129.1° | 131.1° |
| C42 | C43 | C44 | H43 | 128.0° | 89.9° |
| C42 | C43 | C44 | H44 | 104.7° | 139.0° |
| C08 | C09 | C10 | H22 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.2° | 180.0° |
| C36 | C35 | C11 | C10 | 1.0° | 0.0° |
| C36 | C35 | C11 | H32 | 180.0° | 180.0° |
| C36 | C35 | C11 | N12 | 179.1° | 180.0° |
| C35 | C36 | C37 | H34 | 179.8° | 179.7° |
| C09 | C10 | C11 | C35 | 179.7° | 180.0° |
| C09 | C10 | C11 | N12 | 0.4° | 0.0° |
| C10 | C09 | C08 | H21 | 179.8° | 179.5° |
| C10 | C11 | C35 | N12 | 179.9° | 180.0° |
| C10 | C11 | N12 | C13 | 178.6° | 180.0° |
| C11 | C10 | C09 | H22 | 0.8° | 0.0° |
| C10 | C11 | C35 | H32 | 179.0° | 180.0° |
| C10 | C11 | N12 | H48 | 60.1° | 0.1° |
| C16 | C17 | N19 | H5 | 120.7° | 120.1° |
| C16 | C17 | N19 | H6 | 120.7° | 120.0° |
| C17 | C16 | C15 | H23 | 121.0° | 119.9° |
| C17 | C16 | C15 | H24 | 121.0° | 119.9° |
| C16 | C17 | N19 | C20 | 102.4° | 174.2° |
| C16 | C17 | N19 | C18 | 48.7° | 61.7° |
| C17 | C16 | C15 | C14 | 37.7° | 57.6° |
| C17 | C16 | C15 | H3 | 158.8° | 177.6° |
| C17 | C16 | C15 | H4 | 83.4° | 62.3° |
| C16 | C17 | H5 | H6 | 118.0° | 120.0° |
| C17 | C16 | H23 | H24 | 116.9° | 120.0° |
| C17 | N19 | C20 | C33 | 49.2° | 56.3° |
| N19 | C17 | C16 | C15 | 39.6° | 59.1° |
| C17 | N19 | C20 | C18 | 146.3° | 124.2° |
| C17 | N19 | C20 | N21 | 130.4° | 124.0° |
| C17 | N19 | C18 | C14 | 55.4° | 61.7° |
| N19 | C17 | H5 | H6 | 117.9° | 119.9° |
| N19 | C17 | C16 | H23 | 81.4° | 60.8° |
| N19 | C17 | C16 | H24 | 160.6° | 179.1° |
| C17 | N19 | C18 | H25 | 64.8° | 58.3° |
| C17 | N19 | C18 | H26 | 175.7° | 178.3° |
| C28 | C29 | C30 | H28 | 179.9° | 180.0° |
| N25 | C24 | C33 | N23 | 179.2° | 180.0° |
| N25 | C24 | C33 | C20 | 179.4° | 180.0° |
| N25 | C24 | N23 | C22 | 178.6° | 179.9° |
| C24 | N25 | C26 | H8 | 48.3° | 59.9° |
| C24 | N25 | C26 | H9 | 166.2° | 60.0° |
| N25 | C24 | C33 | H31 | 0.6° | 0.0° |
| C24 | C33 | C20 | H31 | 180.0° | 179.9° |
| C24 | C33 | C20 | N19 | 179.8° | 179.7° |
| C24 | C33 | C20 | N21 | 0.6° | 0.0° |
| C33 | C24 | N23 | C22 | 0.6° | 0.1° |
| C33 | C24 | N25 | H46 | 103.2° | 180.0° |
| C33 | C20 | N19 | N21 | 179.6° | 179.7° |
| C33 | C20 | N19 | C18 | 164.5° | 179.5° |
| C20 | C33 | C24 | N23 | 0.2° | 0.1° |
| C33 | C20 | N21 | C22 | 0.2° | 0.0° |
| C16 | C15 | C14 | C18 | 44.8° | 57.6° |
| C16 | C15 | C14 | H3 | 121.1° | 119.9° |
| C16 | C15 | C14 | H4 | 121.1° | 120.0° |
| C16 | C15 | C14 | C13 | 166.3° | 62.3° |
| C16 | C15 | C14 | O34 | 75.8° | 177.6° |
| C16 | C15 | H3 | H4 | 116.5° | 120.2° |
| C15 | C16 | C17 | H5 | 81.0° | 179.2° |
| C15 | C16 | C17 | H6 | 160.3° | 60.8° |
| C15 | C16 | H23 | H24 | 116.9° | 120.2° |
| C35 | C11 | N12 | C13 | 1.6° | 0.0° |
| C11 | C35 | C36 | H33 | 179.8° | 180.0° |
| C35 | C11 | N12 | H48 | 119.8° | 180.0° |
| C20 | N19 | C18 | C14 | 92.7° | 174.2° |
| N19 | C20 | N21 | C22 | 179.8° | 179.7° |
| C20 | N19 | C17 | H5 | 137.0° | 54.1° |
| C20 | N19 | C17 | H6 | 18.3° | 65.9° |
| C20 | N19 | C18 | H25 | 147.0° | 65.8° |
| C20 | N19 | C18 | H26 | 27.5° | 54.2° |
| N19 | C20 | C33 | H31 | 0.2° | 0.2° |
| C18 | N19 | C20 | N21 | 15.9° | 0.2° |
| N19 | C18 | C14 | H25 | 120.2° | 120.0° |
| N19 | C18 | C14 | H26 | 120.2° | 120.0° |
| N19 | C18 | C14 | C15 | 53.9° | 59.1° |
| N19 | C18 | C14 | C13 | 174.3° | 60.7° |
| N19 | C18 | C14 | O34 | 67.5° | 179.2° |
| C18 | N19 | C17 | H5 | 72.0° | 178.2° |
| C18 | N19 | C17 | H6 | 169.3° | 58.2° |
| N19 | C18 | H25 | H26 | 119.3° | 120.0° |
| C11 | N12 | C13 | H48 | 121.3° | 179.9° |
| C11 | N12 | C13 | C14 | 95.4° | 180.0° |
| C11 | N12 | C13 | H1 | 24.4° | 60.0° |
| C11 | N12 | C13 | H2 | 144.6° | 60.0° |
| N12 | C11 | C35 | H32 | 0.9° | 0.0° |
| C24 | N23 | C22 | N21 | 1.1° | 0.0° |
| C24 | N23 | C22 | H7 | 179.0° | 180.0° |
| N23 | C24 | C33 | H31 | 179.8° | 180.0° |
| N23 | C24 | N25 | H46 | 77.5° | 0.0° |
| C20 | N21 | C22 | N23 | 0.7° | 0.0° |
| C20 | N21 | C22 | H7 | 179.4° | 179.9° |
| N21 | C20 | C33 | H31 | 179.4° | 179.9° |
| C18 | C14 | C15 | C13 | 121.6° | 119.9° |
| C18 | C14 | C15 | O34 | 120.5° | 120.0° |
| C18 | C14 | C13 | N12 | 31.3° | 174.8° |
| C18 | C14 | C13 | O34 | 117.7° | 120.1° |
| C18 | C14 | C13 | H1 | 151.1° | 65.2° |
| C18 | C14 | C13 | H2 | 88.7° | 54.8° |
| C18 | C14 | C15 | H3 | 165.9° | 177.5° |
| C18 | C14 | C15 | H4 | 76.4° | 62.4° |
| C14 | C18 | H25 | H26 | 119.3° | 119.9° |
| C18 | C14 | O34 | H47 | 180.0° | 179.9° |
| C15 | C14 | C13 | N12 | 92.6° | 55.0° |
| C15 | C14 | C13 | O34 | 118.4° | 120.1° |
| C15 | C14 | C13 | H1 | 27.2° | 175.0° |
| C15 | C14 | C13 | H2 | 147.4° | 65.0° |
| C14 | C15 | H3 | H4 | 116.5° | 120.1° |
| C14 | C15 | C16 | H23 | 83.3° | 62.3° |
| C14 | C15 | C16 | H24 | 158.7° | 177.6° |
| C15 | C14 | C18 | H25 | 66.4° | 60.9° |
| C15 | C14 | C18 | H26 | 174.1° | 179.2° |
| C15 | C14 | O34 | H47 | 56.2° | 60.0° |
| N12 | C13 | C14 | H1 | 119.9° | 120.0° |
| N12 | C13 | C14 | H2 | 119.9° | 120.0° |
| N12 | C13 | C14 | O34 | 149.0° | 65.1° |
| N12 | C13 | H1 | H2 | 120.3° | 120.0° |
| C14 | C13 | H1 | H2 | 120.3° | 120.0° |
| C13 | C14 | C15 | H3 | 72.6° | 57.6° |
| C13 | C14 | C15 | H4 | 45.2° | 177.7° |
| C13 | C14 | C18 | H25 | 54.1° | 179.2° |
| C13 | C14 | C18 | H26 | 65.4° | 59.3° |
| C13 | C14 | O34 | H47 | 61.2° | 60.0° |
| C14 | C13 | N12 | H48 | 143.2° | 0.1° |
| O34 | C14 | C13 | H1 | 91.2° | 54.9° |
| O34 | C14 | C13 | H2 | 29.0° | 174.9° |
| O34 | C14 | C15 | H3 | 45.3° | 62.4° |
| O34 | C14 | C15 | H4 | 163.1° | 57.7° |
| O34 | C14 | C18 | H25 | 172.2° | 59.1° |
| O34 | C14 | C18 | H26 | 52.7° | 60.8° |
| N23 | C22 | N21 | H7 | 180.0° | 179.9° |
| H1 | C13 | N12 | H48 | 96.9° | 119.9° |
| H2 | C13 | N12 | H48 | 23.3° | 120.1° |
| H3 | C15 | C16 | H23 | 37.8° | 57.7° |
| H3 | C15 | C16 | H24 | 80.1° | 62.5° |
| H4 | C15 | C16 | H23 | 155.6° | 177.8° |
| H4 | C15 | C16 | H24 | 37.6° | 57.6° |
| H5 | C17 | C16 | H23 | 158.0° | 59.3° |
| H5 | C17 | C16 | H24 | 40.0° | 60.8° |
| H6 | C17 | C16 | H23 | 39.3° | 179.2° |
| H6 | C17 | C16 | H24 | 78.7° | 59.2° |
| H8 | C26 | N25 | H46 | 73.8° | 120.0° |
| H9 | C26 | N25 | H46 | 44.1° | 120.0° |
| H10 | C28 | C29 | H27 | 0.2° | 0.1° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 62.8° | 173.1° |
| H12 | C01 | C02 | H14 | 177.2° | 53.1° |
| H13 | C01 | C02 | H14 | 57.2° | 66.9° |
| H14 | C02 | C03 | H15 | 62.6° | 53.0° |
| H14 | C02 | C03 | H16 | 57.4° | 67.0° |
| H14 | C02 | C03 | H17 | 177.4° | 173.0° |
| H14 | C02 | C04 | H18 | 170.6° | 162.6° |
| H15 | C03 | H16 | H17 | 120.0° | 120.0° |
| H18 | C04 | N05 | H35 | 149.8° | 156.4° |
| H19 | C06 | N05 | H35 | 55.2° | 164.3° |
| H20 | C06 | N05 | H35 | 176.5° | 75.8° |
| H21 | C08 | C09 | H22 | 0.1° | 0.6° |
| H27 | C29 | C30 | H28 | 0.0° | 0.0° |
| H28 | C30 | C31 | H29 | 0.1° | 0.1° |
| H29 | C31 | C32 | H30 | 0.1° | 0.4° |
| H32 | C35 | C36 | H33 | 0.2° | 0.0° |
| H33 | C36 | C37 | H34 | 0.2° | 0.3° |
| H37 | C40 | N05 | H35 | 23.9° | 156.5° |
| H38 | C40 | N05 | H35 | 151.4° | 25.9° |
| H39 | C42 | C43 | H41 | 138.6° | 24.4° |
| H39 | C42 | C43 | H42 | 11.9° | 106.4° |
| H40 | C42 | C43 | H41 | 11.2° | 155.5° |
| H40 | C42 | C43 | H42 | 115.5° | 24.7° |
| H41 | C43 | C44 | H43 | 11.4° | 155.4° |
| H41 | C43 | C44 | H44 | 138.6° | 24.3° |
| H42 | C43 | C44 | H43 | 115.3° | 24.7° |
| H42 | C43 | C44 | H44 | 11.9° | 106.4° |
