A1D5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | sing | 1.47Å | 1.45Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C09 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C07 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N11 | sing | 1.46Å | 1.45Å | |
| N11 | C12 | sing | 1.35Å | 1.46Å | |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | N26 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| N26 | C27 | sing | 1.35Å | 1.48Å | |
| C17 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C25 | sing | 1.40Å | 1.43Å | Aromatic |
| C41 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | O28 | doub | 1.22Å | 1.18Å | |
| C27 | N29 | sing | 1.35Å | 1.46Å | |
| C18 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.43Å | Aromatic |
| C25 | C20 | sing | 1.42Å | 1.36Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.36Å | 1.38Å | Aromatic |
| C40 | N45 | doub | 1.32Å | 1.31Å | Aromatic |
| C38 | N29 | sing | 1.46Å | 1.45Å | |
| N29 | C30 | sing | 1.46Å | 1.45Å | |
| C19 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| N45 | C44 | sing | 1.32Å | 1.32Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.36Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C43 | H44 | sing | 1.08Å | 1.08Å | |
| C44 | H45 | sing | 1.08Å | 1.08Å | |
| N05 | H46 | sing | 1.01Å | 1.00Å | |
| N05 | H47 | sing | 1.01Å | 1.00Å | |
| N11 | H49 | sing | 0.97Å | 1.00Å | |
| N26 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | C03 | 110.6° | 109.5° |
| N05 | C04 | H15 | 109.2° | 109.5° |
| N05 | C04 | H16 | 109.2° | 109.4° |
| C04 | N05 | H46 | 109.5° | 111.0° |
| C04 | N05 | H47 | 109.4° | 111.0° |
| C04 | C03 | C02 | 111.6° | 109.5° |
| C04 | C03 | H13 | 109.0° | 109.5° |
| C04 | C03 | H14 | 108.9° | 109.5° |
| C03 | C04 | H15 | 109.2° | 109.5° |
| C03 | C04 | H16 | 109.2° | 109.5° |
| C03 | C02 | C01 | 109.9° | 109.5° |
| C03 | C02 | C06 | 111.3° | 109.5° |
| C03 | C02 | H12 | 108.2° | 109.5° |
| C02 | C03 | H13 | 108.9° | 109.4° |
| C02 | C03 | H14 | 108.9° | 109.4° |
| C01 | C02 | C06 | 110.7° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.4° | 109.4° |
| C01 | C02 | H12 | 108.3° | 109.4° |
| C02 | C06 | C07 | 115.0° | 109.5° |
| C06 | C02 | H12 | 108.3° | 109.5° |
| C02 | C06 | H17 | 108.1° | 109.5° |
| C02 | C06 | H18 | 108.0° | 109.5° |
| C06 | C07 | C09 | 109.9° | 109.5° |
| C06 | C07 | C08 | 110.8° | 109.4° |
| C06 | C07 | C10 | 112.2° | 109.4° |
| C07 | C06 | H17 | 108.1° | 109.5° |
| C07 | C06 | H18 | 108.1° | 109.5° |
| C09 | C07 | C08 | 109.2° | 109.5° |
| C09 | C07 | C10 | 108.1° | 109.5° |
| C07 | C09 | H22 | 109.5° | 109.5° |
| C07 | C09 | H23 | 109.5° | 109.4° |
| C07 | C09 | H24 | 109.5° | 109.5° |
| C08 | C07 | C10 | 106.5° | 109.5° |
| C07 | C08 | H19 | 109.5° | 109.4° |
| C07 | C08 | H20 | 109.5° | 109.4° |
| C07 | C08 | H21 | 109.5° | 109.5° |
| C07 | C10 | N11 | 112.1° | 109.4° |
| C07 | C10 | H1 | 108.8° | 109.5° |
| C07 | C10 | H2 | 108.8° | 109.5° |
| C10 | N11 | C12 | 119.1° | 120.0° |
| N11 | C10 | H1 | 108.8° | 109.5° |
| N11 | C10 | H2 | 108.8° | 109.5° |
| C10 | N11 | H49 | 120.4° | 120.0° |
| N11 | C12 | O13 | 120.6° | 120.0° |
| N11 | C12 | C14 | 120.1° | 120.0° |
| C12 | N11 | H49 | 120.5° | 120.0° |
| O13 | C12 | C14 | 119.3° | 120.0° |
| C12 | C14 | C15 | 117.1° | 109.5° |
| C12 | C14 | N26 | 113.6° | 109.4° |
| C12 | C14 | H25 | 103.9° | 109.4° |
| C15 | C14 | N26 | 112.3° | 109.5° |
| C14 | C15 | C16 | 116.4° | 109.5° |
| C14 | C15 | H3 | 107.7° | 109.5° |
| C14 | C15 | H4 | 107.7° | 109.4° |
| C15 | C14 | H25 | 103.7° | 109.5° |
| C14 | N26 | C27 | 128.5° | 120.0° |
| N26 | C14 | H25 | 104.5° | 109.5° |
| C14 | N26 | H50 | 115.8° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.2° |
| C15 | C16 | C25 | 122.1° | 120.2° |
| C16 | C15 | H3 | 107.7° | 109.5° |
| C16 | C15 | H4 | 107.7° | 109.5° |
| N26 | C27 | O28 | 123.6° | 120.0° |
| N26 | C27 | N29 | 116.0° | 120.0° |
| C27 | N26 | H50 | 115.7° | 120.1° |
| C16 | C17 | C18 | 121.6° | 121.0° |
| C17 | C16 | C25 | 118.6° | 119.7° |
| C16 | C17 | H5 | 119.2° | 119.5° |
| C17 | C18 | C19 | 119.6° | 121.0° |
| C18 | C17 | H5 | 119.2° | 119.5° |
| C17 | C18 | H26 | 120.2° | 119.5° |
| C16 | C25 | C24 | 121.1° | 121.3° |
| C16 | C25 | C20 | 119.5° | 119.4° |
| C42 | C41 | C40 | 119.6° | 119.1° |
| C41 | C42 | C43 | 117.8° | 118.4° |
| C42 | C41 | H42 | 120.2° | 120.5° |
| C41 | C42 | H43 | 121.1° | 120.8° |
| C41 | C40 | C39 | 119.9° | 119.6° |
| C41 | C40 | N45 | 120.9° | 120.8° |
| C40 | C41 | H42 | 120.2° | 120.4° |
| O28 | C27 | N29 | 120.3° | 120.0° |
| C27 | N29 | C38 | 118.3° | 120.0° |
| C27 | N29 | C30 | 122.3° | 120.0° |
| C18 | C19 | C20 | 119.4° | 119.7° |
| C19 | C18 | H26 | 120.2° | 119.5° |
| C18 | C19 | H27 | 120.3° | 120.2° |
| C42 | C43 | C44 | 119.2° | 119.1° |
| C43 | C42 | H43 | 121.1° | 120.8° |
| C42 | C43 | H44 | 120.4° | 120.4° |
| C24 | C25 | C20 | 119.4° | 119.3° |
| C25 | C24 | C23 | 120.8° | 119.7° |
| C25 | C24 | H8 | 119.6° | 120.2° |
| C25 | C20 | C19 | 121.3° | 119.3° |
| C25 | C20 | C21 | 119.9° | 119.4° |
| C40 | C39 | C38 | 109.7° | 109.5° |
| C39 | C40 | N45 | 119.2° | 119.6° |
| C40 | C39 | H40 | 109.4° | 109.5° |
| C40 | C39 | H41 | 109.4° | 109.5° |
| C39 | C38 | N29 | 112.1° | 109.5° |
| C39 | C38 | H38 | 108.8° | 109.5° |
| C39 | C38 | H39 | 108.8° | 109.4° |
| C38 | C39 | H40 | 109.4° | 109.5° |
| C38 | C39 | H41 | 109.4° | 109.5° |
| C24 | C23 | C22 | 119.1° | 120.9° |
| C23 | C24 | H8 | 119.6° | 120.1° |
| C24 | C23 | H28 | 120.4° | 119.5° |
| C40 | N45 | C44 | 121.0° | 121.7° |
| C38 | N29 | C30 | 119.4° | 120.0° |
| N29 | C38 | H38 | 108.8° | 109.5° |
| N29 | C38 | H39 | 108.8° | 109.5° |
| N29 | C30 | C31 | 101.9° | 109.5° |
| N29 | C30 | H29 | 111.3° | 109.5° |
| N29 | C30 | H30 | 111.3° | 109.5° |
| C19 | C20 | C21 | 118.8° | 121.3° |
| C20 | C19 | H27 | 120.3° | 120.1° |
| C20 | C21 | C22 | 120.1° | 119.7° |
| C20 | C21 | H6 | 120.0° | 120.2° |
| C43 | C44 | N45 | 121.4° | 120.8° |
| C44 | C43 | H44 | 120.4° | 120.4° |
| C43 | C44 | H45 | 119.3° | 119.6° |
| C23 | C22 | C21 | 120.6° | 121.0° |
| C23 | C22 | H7 | 119.7° | 119.5° |
| C22 | C23 | H28 | 120.4° | 119.5° |
| N45 | C44 | H45 | 119.3° | 119.6° |
| C30 | C31 | C32 | 117.9° | 109.5° |
| C31 | C30 | H29 | 111.3° | 109.5° |
| C31 | C30 | H30 | 111.3° | 109.5° |
| C30 | C31 | H31 | 107.3° | 109.5° |
| C30 | C31 | H32 | 107.3° | 109.5° |
| C22 | C21 | H6 | 119.9° | 120.2° |
| C21 | C22 | H7 | 119.7° | 119.5° |
| C31 | C32 | C37 | 121.3° | 120.0° |
| C31 | C32 | C33 | 119.2° | 120.0° |
| C32 | C31 | H31 | 107.3° | 109.4° |
| C32 | C31 | H32 | 107.3° | 109.5° |
| C37 | C32 | C33 | 119.5° | 120.0° |
| C32 | C37 | C36 | 120.4° | 120.0° |
| C32 | C37 | H37 | 119.8° | 120.0° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C33 | C34 | C35 | 120.0° | 120.0° |
| C34 | C33 | H33 | 119.8° | 120.0° |
| C33 | C34 | H34 | 120.0° | 120.1° |
| C36 | C35 | C34 | 119.6° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C35 | C34 | H34 | 120.0° | 119.9° |
| C34 | C35 | H35 | 120.2° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H13 | C03 | H14 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.4° | 109.5° |
| H19 | C08 | H21 | 109.5° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H22 | C09 | H23 | 109.5° | 109.5° |
| H22 | C09 | H24 | 109.5° | 109.5° |
| H23 | C09 | H24 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.4° |
| H40 | C39 | H41 | 109.5° | 109.5° |
| H46 | N05 | H47 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | C03 | H15 | 120.2° | 120.1° |
| N05 | C04 | C03 | H16 | 120.2° | 119.9° |
| N05 | C04 | C03 | C02 | 112.6° | 180.0° |
| N05 | C04 | C03 | H13 | 7.8° | 60.0° |
| N05 | C04 | C03 | H14 | 127.1° | 60.1° |
| N05 | C04 | H15 | H16 | 119.5° | 120.0° |
| C04 | N05 | H46 | H47 | 120.0° | 123.9° |
| C04 | C03 | C02 | H13 | 120.3° | 120.0° |
| C04 | C03 | C02 | H14 | 120.3° | 120.0° |
| C04 | C03 | C02 | C01 | 27.6° | 64.9° |
| C04 | C03 | C02 | C06 | 95.4° | 175.0° |
| C04 | C03 | C02 | H12 | 145.7° | 55.0° |
| C04 | C03 | H13 | H14 | 119.0° | 120.0° |
| C03 | C04 | H15 | H16 | 119.5° | 120.0° |
| C03 | C04 | N05 | H46 | 180.0° | 56.1° |
| C03 | C04 | N05 | H47 | 60.0° | 179.9° |
| C03 | C02 | C01 | C06 | 123.3° | 120.0° |
| C03 | C02 | C01 | H12 | 118.1° | 120.0° |
| C03 | C02 | C06 | H12 | 118.8° | 120.0° |
| C03 | C02 | C06 | C07 | 116.1° | 173.1° |
| C03 | C02 | C01 | H9 | 180.0° | 157.6° |
| C03 | C02 | C01 | H10 | 60.0° | 37.6° |
| C03 | C02 | C01 | H11 | 60.0° | 82.4° |
| C02 | C03 | H13 | H14 | 119.0° | 120.0° |
| C02 | C03 | C04 | H15 | 127.3° | 60.0° |
| C02 | C03 | C04 | H16 | 7.6° | 60.1° |
| C03 | C02 | C06 | H17 | 123.1° | 66.9° |
| C03 | C02 | C06 | H18 | 4.7° | 53.0° |
| C01 | C02 | C06 | H12 | 118.6° | 120.0° |
| C01 | C02 | C06 | C07 | 121.3° | 66.9° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 119.9° |
| C01 | C02 | C03 | H13 | 147.9° | 175.0° |
| C01 | C02 | C03 | H14 | 92.7° | 55.0° |
| C01 | C02 | C06 | H17 | 0.5° | 53.1° |
| C01 | C02 | C06 | H18 | 117.9° | 173.1° |
| C02 | C06 | C07 | H17 | 120.8° | 120.0° |
| C02 | C06 | C07 | H18 | 120.8° | 120.0° |
| C02 | C06 | C07 | C09 | 119.5° | 77.5° |
| C02 | C06 | C07 | C08 | 119.7° | 162.5° |
| C02 | C06 | C07 | C10 | 0.8° | 42.5° |
| C06 | C02 | C01 | H9 | 56.6° | 82.3° |
| C06 | C02 | C01 | H10 | 176.6° | 157.6° |
| C06 | C02 | C01 | H11 | 63.4° | 37.7° |
| C06 | C02 | C03 | H13 | 24.9° | 55.0° |
| C06 | C02 | C03 | H14 | 144.2° | 65.0° |
| C02 | C06 | H17 | H18 | 117.5° | 120.0° |
| C06 | C07 | C09 | C08 | 121.7° | 120.0° |
| C06 | C07 | C09 | C10 | 122.8° | 120.0° |
| C06 | C07 | C08 | C10 | 122.3° | 120.0° |
| C06 | C07 | C10 | N11 | 111.9° | 180.0° |
| C06 | C07 | C10 | H1 | 8.5° | 60.0° |
| C06 | C07 | C10 | H2 | 127.7° | 60.0° |
| C07 | C06 | C02 | H12 | 2.7° | 53.1° |
| C07 | C06 | H17 | H18 | 117.5° | 120.0° |
| C06 | C07 | C08 | H19 | 180.0° | 55.5° |
| C06 | C07 | C08 | H20 | 60.0° | 175.4° |
| C06 | C07 | C08 | H21 | 60.0° | 64.6° |
| C06 | C07 | C09 | H22 | 180.0° | 62.9° |
| C06 | C07 | C09 | H23 | 60.0° | 177.1° |
| C06 | C07 | C09 | H24 | 60.0° | 57.1° |
| C09 | C07 | C08 | C10 | 116.5° | 120.1° |
| C09 | C07 | C10 | N11 | 9.5° | 60.0° |
| C09 | C07 | C10 | H1 | 129.9° | 180.0° |
| C09 | C07 | C10 | H2 | 110.9° | 60.0° |
| C09 | C07 | C06 | H17 | 119.6° | 42.5° |
| C09 | C07 | C06 | H18 | 1.3° | 162.5° |
| C09 | C07 | C08 | H19 | 58.8° | 175.5° |
| C09 | C07 | C08 | H20 | 178.8° | 64.6° |
| C09 | C07 | C08 | H21 | 61.2° | 55.4° |
| C07 | C09 | H22 | H23 | 120.0° | 119.9° |
| C07 | C09 | H22 | H24 | 120.0° | 120.0° |
| C07 | C09 | H23 | H24 | 120.0° | 120.0° |
| C08 | C07 | C10 | N11 | 126.7° | 60.0° |
| C08 | C07 | C10 | H1 | 112.9° | 60.0° |
| C08 | C07 | C10 | H2 | 6.3° | 180.0° |
| C08 | C07 | C06 | H17 | 1.1° | 77.5° |
| C08 | C07 | C06 | H18 | 119.5° | 42.5° |
| C07 | C08 | H19 | H20 | 120.0° | 119.9° |
| C07 | C08 | H19 | H21 | 120.0° | 120.0° |
| C07 | C08 | H20 | H21 | 120.0° | 120.0° |
| C08 | C07 | C09 | H22 | 58.3° | 57.1° |
| C08 | C07 | C09 | H23 | 61.8° | 62.9° |
| C08 | C07 | C09 | H24 | 178.3° | 177.1° |
| C07 | C10 | N11 | H1 | 120.4° | 120.0° |
| C07 | C10 | N11 | H2 | 120.4° | 120.0° |
| C07 | C10 | N11 | C12 | 136.5° | 180.0° |
| C07 | C10 | H1 | H2 | 118.8° | 120.0° |
| C10 | C07 | C06 | H17 | 120.1° | 162.5° |
| C10 | C07 | C06 | H18 | 121.6° | 77.5° |
| C10 | C07 | C08 | H19 | 57.6° | 64.5° |
| C10 | C07 | C08 | H20 | 62.3° | 55.5° |
| C10 | C07 | C08 | H21 | 177.7° | 175.5° |
| C10 | C07 | C09 | H22 | 57.2° | 177.1° |
| C10 | C07 | C09 | H23 | 177.2° | 57.2° |
| C10 | C07 | C09 | H24 | 62.8° | 62.8° |
| C07 | C10 | N11 | H49 | 43.5° | 0.0° |
| C10 | N11 | C12 | H49 | 180.0° | 180.0° |
| C10 | N11 | C12 | O13 | 0.8° | 0.1° |
| C10 | N11 | C12 | C14 | 179.5° | 180.0° |
| N11 | C10 | H1 | H2 | 118.8° | 120.0° |
| N11 | C12 | O13 | C14 | 179.8° | 179.9° |
| N11 | C12 | C14 | C15 | 4.8° | 60.0° |
| N11 | C12 | C14 | N26 | 128.7° | 180.0° |
| C12 | N11 | C10 | H1 | 16.1° | 60.0° |
| C12 | N11 | C10 | H2 | 103.1° | 60.0° |
| N11 | C12 | C14 | H25 | 118.4° | 60.1° |
| O13 | C12 | C14 | C15 | 174.9° | 119.9° |
| O13 | C12 | C14 | N26 | 51.6° | 0.1° |
| O13 | C12 | C14 | H25 | 61.3° | 120.0° |
| O13 | C12 | N11 | H49 | 179.2° | 180.0° |
| C12 | C14 | C15 | N26 | 134.1° | 120.0° |
| C12 | C14 | C15 | H25 | 113.7° | 120.0° |
| C12 | C14 | N26 | H25 | 112.6° | 119.9° |
| C12 | C14 | C15 | C16 | 81.3° | 175.0° |
| C12 | C14 | N26 | C27 | 49.0° | 155.0° |
| C12 | C14 | C15 | H3 | 39.7° | 65.0° |
| C12 | C14 | C15 | H4 | 157.7° | 55.0° |
| C14 | C12 | N11 | H49 | 0.5° | 0.1° |
| C12 | C14 | N26 | H50 | 131.0° | 25.1° |
| C15 | C14 | N26 | H25 | 111.7° | 120.0° |
| C14 | C15 | C16 | H3 | 121.0° | 120.0° |
| C14 | C15 | C16 | H4 | 121.0° | 120.0° |
| C15 | C14 | N26 | C27 | 86.8° | 85.0° |
| C14 | C15 | C16 | C17 | 93.4° | 95.0° |
| C14 | C15 | C16 | C25 | 86.8° | 85.0° |
| C14 | C15 | H3 | H4 | 116.8° | 119.9° |
| C15 | C14 | N26 | H50 | 93.2° | 95.0° |
| N26 | C14 | C15 | C16 | 52.8° | 65.0° |
| C14 | N26 | C27 | H50 | 180.0° | 180.0° |
| C14 | N26 | C27 | O28 | 1.0° | 0.0° |
| C14 | N26 | C27 | N29 | 178.5° | 180.0° |
| N26 | C14 | C15 | H3 | 173.8° | 55.0° |
| N26 | C14 | C15 | H4 | 68.2° | 175.0° |
| C15 | C16 | C17 | C25 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C25 | C24 | 0.4° | 0.1° |
| C15 | C16 | C25 | C20 | 179.4° | 180.0° |
| C16 | C15 | H3 | H4 | 116.9° | 120.1° |
| C15 | C16 | C17 | H5 | 0.4° | 0.3° |
| C16 | C15 | C14 | H25 | 165.0° | 55.0° |
| N26 | C27 | O28 | N29 | 179.6° | 180.0° |
| N26 | C27 | N29 | C38 | 1.2° | 0.0° |
| N26 | C27 | N29 | C30 | 178.3° | 180.0° |
| C27 | N26 | C14 | H25 | 161.5° | 35.0° |
| C16 | C17 | C18 | H5 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C16 | C25 | C24 | 179.4° | 179.9° |
| C17 | C16 | C25 | C20 | 0.8° | 0.0° |
| C17 | C16 | C15 | H3 | 27.6° | 145.0° |
| C17 | C16 | C15 | H4 | 145.6° | 25.0° |
| C16 | C17 | C18 | H26 | 179.7° | 180.0° |
| C18 | C17 | C16 | C25 | 0.6° | 0.0° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H27 | 179.8° | 180.0° |
| C16 | C25 | C24 | C20 | 179.8° | 179.9° |
| C16 | C25 | C24 | C23 | 178.6° | 180.0° |
| C16 | C25 | C20 | C19 | 0.7° | 0.0° |
| C16 | C25 | C20 | C21 | 179.7° | 179.9° |
| C25 | C16 | C15 | H3 | 152.2° | 35.0° |
| C25 | C16 | C15 | H4 | 34.2° | 155.1° |
| C25 | C16 | C17 | H5 | 179.4° | 179.8° |
| C16 | C25 | C24 | H8 | 1.4° | 0.1° |
| C42 | C41 | C40 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | H43 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 180.0° | 180.0° |
| C42 | C41 | C40 | N45 | 0.1° | 0.3° |
| C41 | C42 | C43 | C44 | 0.0° | 0.1° |
| C41 | C42 | C43 | H44 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.1° |
| C41 | C40 | C39 | N45 | 179.9° | 179.7° |
| C41 | C40 | C39 | C38 | 136.4° | 125.3° |
| C41 | C40 | N45 | C44 | 0.0° | 0.6° |
| C41 | C40 | C39 | H40 | 103.6° | 5.3° |
| C41 | C40 | C39 | H41 | 16.4° | 114.7° |
| C40 | C41 | C42 | H43 | 179.9° | 180.0° |
| O28 | C27 | N29 | C38 | 178.4° | 180.0° |
| O28 | C27 | N29 | C30 | 1.2° | 0.0° |
| O28 | C27 | N26 | H50 | 179.0° | 180.0° |
| C27 | N29 | C38 | C39 | 100.4° | 90.0° |
| C27 | N29 | C38 | C30 | 177.2° | 180.0° |
| C27 | N29 | C30 | C31 | 113.3° | 90.0° |
| C27 | N29 | C30 | H29 | 128.0° | 30.0° |
| C27 | N29 | C30 | H30 | 5.5° | 150.0° |
| C27 | N29 | C38 | H38 | 20.0° | 150.0° |
| C27 | N29 | C38 | H39 | 139.3° | 30.0° |
| N29 | C27 | N26 | H50 | 1.5° | 0.0° |
| C18 | C19 | C20 | C25 | 0.3° | 0.0° |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H5 | 179.7° | 179.7° |
| C42 | C43 | C44 | H44 | 180.0° | 179.9° |
| C42 | C43 | C44 | N45 | 0.1° | 0.3° |
| C43 | C42 | C41 | H42 | 179.9° | 180.0° |
| C42 | C43 | C44 | H45 | 179.9° | 180.0° |
| C25 | C24 | C23 | H8 | 180.0° | 180.0° |
| C24 | C25 | C20 | C19 | 179.5° | 179.9° |
| C24 | C25 | C20 | C21 | 0.1° | 0.0° |
| C25 | C24 | C23 | C22 | 1.3° | 0.0° |
| C25 | C24 | C23 | H28 | 178.7° | 180.0° |
| C20 | C25 | C24 | C23 | 1.2° | 0.0° |
| C25 | C20 | C19 | C21 | 179.7° | 179.9° |
| C25 | C20 | C21 | C22 | 0.9° | 0.1° |
| C25 | C20 | C21 | H6 | 179.1° | 180.0° |
| C20 | C25 | C24 | H8 | 178.8° | 180.0° |
| C25 | C20 | C19 | H27 | 179.6° | 180.0° |
| C40 | C39 | C38 | H40 | 120.0° | 120.0° |
| C40 | C39 | C38 | H41 | 120.0° | 120.0° |
| C40 | C39 | C38 | N29 | 153.3° | 180.0° |
| C39 | C40 | N45 | C44 | 179.9° | 179.7° |
| C40 | C39 | C38 | H38 | 86.3° | 59.9° |
| C40 | C39 | C38 | H39 | 33.0° | 60.0° |
| C40 | C39 | H40 | H41 | 119.9° | 120.0° |
| C39 | C40 | C41 | H42 | 0.0° | 0.1° |
| C38 | C39 | C40 | N45 | 43.5° | 55.0° |
| C39 | C38 | N29 | H38 | 120.4° | 120.0° |
| C39 | C38 | N29 | H39 | 120.4° | 120.0° |
| C39 | C38 | N29 | C30 | 82.4° | 90.0° |
| C39 | C38 | H38 | H39 | 118.8° | 119.9° |
| C38 | C39 | H40 | H41 | 119.9° | 120.0° |
| C24 | C23 | C22 | H28 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H7 | 179.7° | 180.0° |
| C40 | N45 | C44 | C43 | 0.1° | 0.6° |
| N45 | C40 | C39 | H40 | 76.5° | 175.0° |
| N45 | C40 | C39 | H41 | 163.5° | 65.0° |
| N45 | C40 | C41 | H42 | 179.9° | 179.8° |
| C40 | N45 | C44 | H45 | 179.9° | 179.7° |
| C38 | N29 | C30 | C31 | 63.8° | 90.0° |
| C38 | N29 | C30 | H29 | 54.9° | 150.0° |
| C38 | N29 | C30 | H30 | 177.4° | 30.0° |
| N29 | C38 | H38 | H39 | 118.8° | 120.0° |
| N29 | C38 | C39 | H40 | 33.4° | 60.0° |
| N29 | C38 | C39 | H41 | 86.6° | 60.0° |
| N29 | C30 | C31 | H29 | 118.8° | 120.0° |
| N29 | C30 | C31 | H30 | 118.8° | 120.0° |
| N29 | C30 | C31 | C32 | 168.6° | 180.0° |
| N29 | C30 | H29 | H30 | 123.5° | 120.0° |
| N29 | C30 | C31 | H31 | 47.4° | 60.0° |
| N29 | C30 | C31 | H32 | 70.2° | 60.0° |
| C30 | N29 | C38 | H38 | 157.2° | 30.0° |
| C30 | N29 | C38 | H39 | 37.9° | 150.0° |
| C19 | C20 | C21 | C22 | 179.5° | 180.0° |
| C19 | C20 | C21 | H6 | 0.5° | 0.1° |
| C20 | C19 | C18 | H26 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.1° |
| C20 | C21 | C22 | H6 | 180.0° | 179.9° |
| C20 | C21 | C22 | H7 | 179.2° | 180.0° |
| C21 | C20 | C19 | H27 | 0.0° | 0.1° |
| C43 | C44 | N45 | H45 | 180.0° | 179.7° |
| C44 | C43 | C42 | H43 | 180.0° | 180.0° |
| C23 | C22 | C21 | H7 | 180.0° | 179.9° |
| C23 | C22 | C21 | H6 | 179.2° | 180.0° |
| C22 | C23 | C24 | H8 | 178.7° | 180.0° |
| N45 | C44 | C43 | H44 | 179.9° | 179.8° |
| C30 | C31 | C32 | H31 | 121.2° | 120.0° |
| C30 | C31 | C32 | H32 | 121.2° | 120.0° |
| C30 | C31 | C32 | C37 | 5.9° | 90.0° |
| C30 | C31 | C32 | C33 | 174.6° | 89.7° |
| C31 | C30 | H29 | H30 | 123.5° | 120.0° |
| C30 | C31 | H31 | H32 | 116.2° | 120.0° |
| C21 | C22 | C23 | H28 | 179.7° | 180.0° |
| C31 | C32 | C37 | C33 | 179.5° | 179.7° |
| C31 | C32 | C37 | C36 | 179.9° | 179.7° |
| C31 | C32 | C33 | C34 | 179.6° | 180.0° |
| C32 | C31 | C30 | H29 | 72.6° | 60.0° |
| C32 | C31 | C30 | H30 | 49.9° | 60.0° |
| C32 | C31 | H31 | H32 | 116.2° | 120.0° |
| C31 | C32 | C33 | H33 | 0.4° | 0.0° |
| C31 | C32 | C37 | H37 | 0.1° | 0.0° |
| C32 | C37 | C36 | H37 | 180.0° | 179.7° |
| C37 | C32 | C33 | C34 | 0.0° | 0.3° |
| C32 | C37 | C36 | C35 | 0.3° | 0.5° |
| C37 | C32 | C31 | H31 | 127.1° | 30.0° |
| C37 | C32 | C31 | H32 | 115.3° | 150.0° |
| C37 | C32 | C33 | H33 | 179.9° | 179.7° |
| C32 | C37 | C36 | H36 | 179.8° | 179.8° |
| C33 | C32 | C37 | C36 | 0.4° | 0.5° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.4° | 0.0° |
| C33 | C32 | C31 | H31 | 53.4° | 150.3° |
| C33 | C32 | C31 | H32 | 64.2° | 30.3° |
| C32 | C33 | C34 | H34 | 179.6° | 180.0° |
| C33 | C32 | C37 | H37 | 179.7° | 179.7° |
| C37 | C36 | C35 | H36 | 180.0° | 179.7° |
| C37 | C36 | C35 | C34 | 0.1° | 0.3° |
| C37 | C36 | C35 | H35 | 179.9° | 179.8° |
| C33 | C34 | C35 | C36 | 0.5° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 179.5° | 180.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | H34 | 179.5° | 180.0° |
| C35 | C36 | C37 | H37 | 179.7° | 179.7° |
| C35 | C34 | C33 | H33 | 179.7° | 180.0° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| H1 | C10 | N11 | H49 | 163.9° | 120.0° |
| H2 | C10 | N11 | H49 | 76.9° | 120.0° |
| H3 | C15 | C14 | H25 | 74.0° | 175.0° |
| H4 | C15 | C14 | H25 | 44.0° | 65.0° |
| H5 | C17 | C18 | H26 | 0.3° | 0.2° |
| H6 | C21 | C22 | H7 | 0.8° | 0.1° |
| H7 | C22 | C23 | H28 | 0.3° | 0.0° |
| H8 | C24 | C23 | H28 | 1.3° | 0.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 61.9° | 37.7° |
| H10 | C01 | C02 | H12 | 58.1° | 82.4° |
| H11 | C01 | C02 | H12 | 178.1° | 157.7° |
| H12 | C02 | C03 | H13 | 93.9° | 65.0° |
| H12 | C02 | C03 | H14 | 25.4° | 175.0° |
| H12 | C02 | C06 | H17 | 118.1° | 173.1° |
| H12 | C02 | C06 | H18 | 123.5° | 67.0° |
| H13 | C03 | C04 | H15 | 112.4° | 179.9° |
| H13 | C03 | C04 | H16 | 128.0° | 59.9° |
| H14 | C03 | C04 | H15 | 7.0° | 60.0° |
| H14 | C03 | C04 | H16 | 112.7° | 180.0° |
| H15 | C04 | N05 | H46 | 59.8° | 64.0° |
| H15 | C04 | N05 | H47 | 60.2° | 60.0° |
| H16 | C04 | N05 | H46 | 59.8° | 176.0° |
| H16 | C04 | N05 | H47 | 179.8° | 60.0° |
| H19 | C08 | H20 | H21 | 120.0° | 120.1° |
| H22 | C09 | H23 | H24 | 120.0° | 120.1° |
| H25 | C14 | N26 | H50 | 18.5° | 145.0° |
| H26 | C18 | C19 | H27 | 0.2° | 0.1° |
| H29 | C30 | C31 | H31 | 166.2° | 59.9° |
| H29 | C30 | C31 | H32 | 48.6° | 180.0° |
| H30 | C30 | C31 | H31 | 71.3° | 179.9° |
| H30 | C30 | C31 | H32 | 171.1° | 60.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.0° |
| H34 | C34 | C35 | H35 | 0.5° | 0.0° |
| H35 | C35 | C36 | H36 | 0.2° | 0.1° |
| H36 | C36 | C37 | H37 | 0.2° | 0.0° |
| H38 | C38 | C39 | H40 | 153.7° | 60.1° |
| H38 | C38 | C39 | H41 | 33.8° | 179.9° |
| H39 | C38 | C39 | H40 | 87.0° | 180.0° |
| H39 | C38 | C39 | H41 | 153.0° | 60.0° |
| H42 | C41 | C42 | H43 | 0.1° | 0.1° |
| H43 | C42 | C43 | H44 | 0.0° | 0.1° |
| H44 | C43 | C44 | H45 | 0.1° | 0.1° |
