C0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | N01 | sing | 1.47Å | 1.49Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C07 | N01 | sing | 1.47Å | 1.49Å | |
| C07 | C08 | sing | 1.51Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| N01 | C05 | sing | 1.47Å | 1.50Å | |
| C08 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C01 | sing | 1.53Å | 1.57Å | |
| C01 | C06 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N02 | C06 | sing | 1.35Å | 1.38Å | |
| N02 | C14 | sing | 1.46Å | 1.46Å | |
| C06 | O01 | doub | 1.21Å | 1.26Å | |
| C36 | C33 | sing | 1.53Å | 1.57Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.48Å | 1.48Å | |
| C33 | C27 | sing | 1.51Å | 1.52Å | |
| C16 | N03 | sing | 1.47Å | 1.45Å | |
| N03 | C17 | sing | 1.39Å | 1.41Å | |
| O02 | C18 | doub | 1.22Å | 1.26Å | |
| C18 | N04 | sing | 1.35Å | 1.41Å | |
| C35 | C34 | sing | 1.53Å | 1.57Å | |
| C27 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C28 | sing | 1.41Å | 1.48Å | Aromatic |
| N04 | C19 | sing | 1.46Å | 1.49Å | |
| C34 | C26 | sing | 1.51Å | 1.56Å | |
| C26 | N06 | doub | 1.32Å | 1.37Å | Aromatic |
| C28 | C30 | doub | 1.40Å | 1.46Å | Aromatic |
| C28 | C25 | sing | 1.42Å | 1.35Å | Aromatic |
| C30 | C32 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| N06 | C25 | sing | 1.33Å | 1.41Å | Aromatic |
| C25 | C29 | doub | 1.41Å | 1.46Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| C22 | N05 | sing | 1.37Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C32 | C31 | doub | 1.39Å | 1.43Å | Aromatic |
| C21 | C23 | sing | 1.46Å | 1.45Å | Aromatic |
| N05 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C31 | sing | 1.36Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.41Å | 1.46Å | Aromatic |
| C23 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
| C38 | C39 | doub | 1.37Å | 1.38Å | Aromatic |
| C37 | C40 | doub | 1.38Å | 1.36Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.44Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | 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 | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H41 | sing | 1.08Å | 1.08Å | |
| C40 | H42 | sing | 1.08Å | 1.08Å | |
| N02 | H44 | sing | 0.97Å | 1.00Å | |
| N03 | H45 | sing | 1.01Å | 1.00Å | |
| N04 | H46 | sing | 0.97Å | 1.00Å | |
| N05 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | N01 | 111.0° | 109.5° |
| C04 | C03 | C02 | 109.0° | 109.3° |
| C04 | C03 | H10 | 109.6° | 109.5° |
| C04 | C03 | H11 | 109.6° | 109.5° |
| C03 | C04 | H12 | 109.1° | 109.4° |
| C03 | C04 | H13 | 109.1° | 109.5° |
| C04 | N01 | C07 | 104.8° | 111.0° |
| C04 | N01 | C05 | 107.3° | 111.2° |
| N01 | C04 | H12 | 109.1° | 109.4° |
| N01 | C04 | H13 | 109.1° | 109.5° |
| C03 | C02 | C01 | 110.7° | 109.2° |
| C03 | C02 | H8 | 109.2° | 109.5° |
| C03 | C02 | H9 | 109.2° | 109.5° |
| C02 | C03 | H10 | 109.6° | 109.5° |
| C02 | C03 | H11 | 109.6° | 109.5° |
| N01 | C07 | C08 | 106.6° | 109.5° |
| C07 | N01 | C05 | 111.7° | 111.0° |
| N01 | C07 | H16 | 110.2° | 109.5° |
| N01 | C07 | H17 | 110.2° | 109.4° |
| C07 | C08 | C10 | 119.9° | 119.9° |
| C07 | C08 | C11 | 120.6° | 119.8° |
| C08 | C07 | H16 | 110.2° | 109.5° |
| C08 | C07 | H17 | 110.2° | 109.4° |
| C02 | C01 | C05 | 109.5° | 109.3° |
| C02 | C01 | C06 | 112.8° | 109.5° |
| C02 | C01 | H7 | 108.4° | 109.5° |
| C01 | C02 | H8 | 109.2° | 109.5° |
| C01 | C02 | H9 | 109.2° | 109.6° |
| N01 | C05 | C01 | 110.3° | 109.5° |
| N01 | C05 | H14 | 109.2° | 109.5° |
| N01 | C05 | H15 | 109.2° | 109.5° |
| C10 | C08 | C11 | 119.5° | 120.3° |
| C08 | C10 | C09 | 121.6° | 120.2° |
| C08 | C10 | H1 | 119.2° | 119.9° |
| C08 | C11 | C12 | 119.1° | 120.2° |
| C08 | C11 | H19 | 120.4° | 119.9° |
| C10 | C09 | C13 | 120.1° | 119.8° |
| C09 | C10 | H1 | 119.2° | 119.9° |
| C10 | C09 | H18 | 119.9° | 120.0° |
| C05 | C01 | C06 | 109.5° | 109.5° |
| C05 | C01 | H7 | 108.1° | 109.5° |
| C01 | C05 | H14 | 109.3° | 109.5° |
| C01 | C05 | H15 | 109.3° | 109.5° |
| C01 | C06 | N02 | 125.8° | 120.0° |
| C01 | C06 | O01 | 119.2° | 120.0° |
| C06 | C01 | H7 | 108.5° | 109.5° |
| C11 | C12 | C13 | 122.0° | 119.9° |
| C12 | C11 | H19 | 120.5° | 119.9° |
| C11 | C12 | H20 | 119.0° | 120.1° |
| C09 | C13 | C12 | 117.7° | 119.7° |
| C09 | C13 | C18 | 120.5° | 120.1° |
| C13 | C09 | H18 | 119.9° | 120.1° |
| C14 | C15 | C16 | 111.2° | 109.5° |
| C15 | C14 | N02 | 112.9° | 109.5° |
| C14 | C15 | H2 | 109.0° | 109.4° |
| C14 | C15 | H3 | 109.1° | 109.5° |
| C15 | C14 | H21 | 108.6° | 109.4° |
| C15 | C14 | H22 | 108.6° | 109.5° |
| C15 | C16 | N03 | 112.6° | 109.4° |
| C16 | C15 | H2 | 109.0° | 109.5° |
| C16 | C15 | H3 | 109.0° | 109.5° |
| C15 | C16 | H23 | 108.7° | 109.4° |
| C15 | C16 | H24 | 108.7° | 109.5° |
| C06 | N02 | C14 | 123.3° | 120.0° |
| N02 | C06 | O01 | 115.1° | 120.0° |
| C06 | N02 | H44 | 118.3° | 120.0° |
| N02 | C14 | H21 | 108.6° | 109.5° |
| N02 | C14 | H22 | 108.6° | 109.5° |
| C14 | N02 | H44 | 118.3° | 120.0° |
| C33 | C36 | C35 | 108.3° | 108.3° |
| C36 | C33 | C27 | 119.3° | 110.6° |
| C36 | C33 | H31 | 107.0° | 109.2° |
| C36 | C33 | H32 | 106.9° | 109.2° |
| C33 | C36 | H37 | 109.8° | 109.7° |
| C33 | C36 | H38 | 109.8° | 109.7° |
| C36 | C35 | C34 | 108.5° | 108.5° |
| C36 | C35 | H35 | 109.7° | 109.6° |
| C36 | C35 | H36 | 109.7° | 109.8° |
| C35 | C36 | H37 | 109.8° | 109.7° |
| C35 | C36 | H38 | 109.8° | 109.6° |
| C12 | C13 | C18 | 121.8° | 120.2° |
| C13 | C12 | H20 | 119.0° | 120.0° |
| C13 | C18 | O02 | 119.2° | 120.0° |
| C13 | C18 | N04 | 123.9° | 120.0° |
| C33 | C27 | C17 | 122.6° | 117.5° |
| C33 | C27 | C26 | 117.5° | 122.8° |
| C27 | C33 | H31 | 107.0° | 109.2° |
| C27 | C33 | H32 | 107.0° | 109.3° |
| C16 | N03 | C17 | 124.1° | 111.0° |
| N03 | C16 | H23 | 108.7° | 109.5° |
| N03 | C16 | H24 | 108.7° | 109.5° |
| C16 | N03 | H45 | 105.7° | 111.0° |
| N03 | C17 | C27 | 122.8° | 120.8° |
| N03 | C17 | C28 | 120.0° | 120.7° |
| C17 | N03 | H45 | 105.7° | 111.0° |
| O02 | C18 | N04 | 116.8° | 120.0° |
| C18 | N04 | C19 | 131.4° | 120.0° |
| C18 | N04 | H46 | 114.3° | 120.0° |
| C35 | C34 | C26 | 116.2° | 110.7° |
| C35 | C34 | H33 | 107.7° | 109.2° |
| C35 | C34 | H34 | 107.8° | 109.2° |
| C34 | C35 | H35 | 109.7° | 109.7° |
| C34 | C35 | H36 | 109.7° | 109.7° |
| C17 | C27 | C26 | 119.8° | 119.7° |
| C27 | C17 | C28 | 117.3° | 118.5° |
| C27 | C26 | C34 | 121.0° | 122.0° |
| C27 | C26 | N06 | 122.8° | 121.0° |
| C17 | C28 | C30 | 121.6° | 121.7° |
| C17 | C28 | C25 | 118.8° | 118.6° |
| N04 | C19 | C20 | 109.1° | 109.4° |
| N04 | C19 | H25 | 109.6° | 109.4° |
| N04 | C19 | H26 | 109.6° | 109.5° |
| C19 | N04 | H46 | 114.3° | 120.0° |
| C34 | C26 | N06 | 116.2° | 117.0° |
| C26 | C34 | H33 | 107.8° | 109.2° |
| C26 | C34 | H34 | 107.8° | 109.3° |
| C26 | N06 | C25 | 118.0° | 122.6° |
| C30 | C28 | C25 | 119.7° | 119.8° |
| C28 | C30 | C32 | 119.6° | 119.6° |
| C28 | C30 | H28 | 120.2° | 120.2° |
| C28 | C25 | N06 | 123.3° | 119.7° |
| C28 | C25 | C29 | 121.3° | 119.0° |
| C30 | C32 | C31 | 121.0° | 120.8° |
| C32 | C30 | H28 | 120.2° | 120.2° |
| C30 | C32 | H30 | 119.5° | 119.6° |
| C19 | C20 | C21 | 112.1° | 109.5° |
| C19 | C20 | H4 | 108.8° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C20 | C19 | H25 | 109.6° | 109.5° |
| C20 | C19 | H26 | 109.6° | 109.5° |
| N06 | C25 | C29 | 115.4° | 121.3° |
| C25 | C29 | C31 | 118.9° | 119.8° |
| C25 | C29 | H27 | 120.5° | 120.1° |
| C21 | C22 | N05 | 107.3° | 109.9° |
| C22 | C21 | C20 | 122.5° | 126.5° |
| C22 | C21 | C23 | 108.5° | 107.0° |
| C21 | C22 | H6 | 126.3° | 125.1° |
| C22 | N05 | C24 | 112.6° | 109.9° |
| N05 | C22 | H6 | 126.3° | 125.1° |
| C22 | N05 | H47 | 123.7° | 125.0° |
| C20 | C21 | C23 | 128.9° | 126.5° |
| C21 | C20 | H4 | 108.8° | 109.4° |
| C21 | C20 | H5 | 108.8° | 109.4° |
| C32 | C31 | C29 | 119.6° | 121.0° |
| C32 | C31 | H29 | 120.2° | 119.5° |
| C31 | C32 | H30 | 119.5° | 119.6° |
| C21 | C23 | C24 | 107.6° | 106.0° |
| C21 | C23 | C38 | 137.0° | 134.0° |
| N05 | C24 | C23 | 104.0° | 107.2° |
| N05 | C24 | C37 | 134.0° | 133.5° |
| C24 | N05 | H47 | 123.7° | 125.1° |
| C31 | C29 | H27 | 120.5° | 120.1° |
| C29 | C31 | H29 | 120.2° | 119.5° |
| C24 | C23 | C38 | 115.4° | 120.0° |
| C23 | C24 | C37 | 122.0° | 119.3° |
| C23 | C38 | C39 | 122.7° | 119.7° |
| C23 | C38 | H40 | 118.7° | 120.1° |
| C24 | C37 | C40 | 120.8° | 119.8° |
| C24 | C37 | H39 | 119.6° | 120.1° |
| C38 | C39 | C40 | 119.2° | 120.5° |
| C39 | C38 | H40 | 118.6° | 120.1° |
| C38 | C39 | H41 | 120.4° | 119.7° |
| C37 | C40 | C39 | 119.9° | 120.7° |
| C40 | C37 | H39 | 119.6° | 120.1° |
| C37 | C40 | H42 | 120.1° | 119.7° |
| C40 | C39 | H41 | 120.4° | 119.8° |
| C39 | C40 | H42 | 120.0° | 119.6° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.2° |
| H33 | C34 | H34 | 109.4° | 109.2° |
| H35 | C35 | H36 | 109.5° | 109.6° |
| H37 | C36 | H38 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | N01 | H12 | 120.2° | 120.0° |
| C03 | C04 | N01 | H13 | 120.2° | 120.1° |
| C04 | C03 | C02 | H10 | 119.9° | 120.0° |
| C04 | C03 | C02 | H11 | 119.9° | 119.9° |
| C03 | C04 | N01 | C07 | 175.8° | 174.2° |
| C04 | C03 | C02 | C01 | 55.2° | 57.6° |
| C03 | C04 | N01 | C05 | 65.4° | 61.7° |
| C04 | C03 | C02 | H8 | 175.4° | 62.3° |
| C04 | C03 | C02 | H9 | 65.0° | 177.6° |
| C04 | C03 | H10 | H11 | 120.3° | 120.1° |
| C03 | C04 | H12 | H13 | 119.3° | 119.9° |
| N01 | C04 | C03 | C02 | 61.9° | 59.1° |
| C04 | N01 | C07 | C05 | 115.9° | 124.2° |
| C04 | N01 | C07 | C08 | 155.0° | 66.1° |
| C04 | N01 | C05 | C01 | 62.8° | 61.7° |
| N01 | C04 | C03 | H10 | 58.0° | 179.1° |
| N01 | C04 | C03 | H11 | 178.2° | 60.8° |
| N01 | C04 | H12 | H13 | 119.3° | 120.0° |
| C04 | N01 | C05 | H14 | 57.4° | 178.3° |
| C04 | N01 | C05 | H15 | 177.1° | 58.3° |
| C04 | N01 | C07 | H16 | 85.5° | 54.0° |
| C04 | N01 | C07 | H17 | 35.4° | 174.0° |
| C03 | C02 | C01 | H8 | 120.2° | 119.9° |
| C03 | C02 | C01 | H9 | 120.2° | 120.0° |
| C03 | C02 | C01 | C05 | 53.6° | 57.7° |
| C03 | C02 | C01 | C06 | 68.7° | 62.3° |
| C03 | C02 | C01 | H7 | 171.2° | 177.7° |
| C03 | C02 | H8 | H9 | 119.5° | 120.1° |
| C02 | C03 | H10 | H11 | 120.2° | 120.1° |
| C02 | C03 | C04 | H12 | 58.3° | 60.9° |
| C02 | C03 | C04 | H13 | 177.9° | 179.2° |
| N01 | C07 | C08 | H16 | 119.6° | 120.1° |
| N01 | C07 | C08 | H17 | 119.5° | 119.9° |
| N01 | C07 | C08 | C10 | 54.5° | 90.0° |
| N01 | C07 | C08 | C11 | 125.0° | 90.0° |
| C07 | N01 | C05 | C01 | 177.1° | 174.2° |
| C07 | N01 | C04 | H12 | 64.0° | 65.9° |
| C07 | N01 | C04 | H13 | 55.5° | 54.1° |
| C07 | N01 | C05 | H14 | 57.0° | 54.2° |
| C07 | N01 | C05 | H15 | 62.7° | 65.8° |
| N01 | C07 | H16 | H17 | 121.3° | 120.0° |
| C08 | C07 | N01 | C05 | 89.2° | 169.7° |
| C07 | C08 | C10 | C11 | 179.6° | 179.9° |
| C07 | C08 | C10 | C09 | 180.0° | 180.0° |
| C07 | C08 | C11 | C12 | 179.7° | 180.0° |
| C07 | C08 | C10 | H1 | 0.0° | 0.3° |
| C08 | C07 | H16 | H17 | 121.3° | 120.0° |
| C07 | C08 | C11 | H19 | 0.3° | 0.1° |
| C02 | C01 | C05 | N01 | 57.7° | 59.2° |
| C02 | C01 | C05 | C06 | 124.2° | 120.0° |
| C02 | C01 | C05 | H7 | 117.9° | 120.0° |
| C02 | C01 | C06 | H7 | 120.1° | 120.0° |
| C02 | C01 | C06 | N02 | 99.5° | 60.1° |
| C02 | C01 | C06 | O01 | 80.1° | 119.9° |
| C01 | C02 | H8 | H9 | 119.4° | 120.2° |
| C01 | C02 | C03 | H10 | 64.7° | 177.6° |
| C01 | C02 | C03 | H11 | 175.1° | 62.3° |
| C02 | C01 | C05 | H14 | 62.4° | 179.2° |
| C02 | C01 | C05 | H15 | 177.8° | 60.8° |
| N01 | C05 | C01 | H14 | 120.1° | 120.0° |
| N01 | C05 | C01 | H15 | 120.1° | 120.0° |
| N01 | C05 | C01 | C06 | 66.5° | 60.8° |
| N01 | C05 | C01 | H7 | 175.6° | 179.2° |
| C05 | N01 | C04 | H12 | 54.9° | 58.3° |
| C05 | N01 | C04 | H13 | 174.4° | 178.2° |
| N01 | C05 | H14 | H15 | 119.6° | 120.0° |
| C05 | N01 | C07 | H16 | 30.4° | 70.2° |
| C05 | N01 | C07 | H17 | 151.3° | 49.8° |
| C08 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C08 | C11 | C12 | 0.7° | 0.1° |
| C08 | C10 | C09 | C13 | 0.8° | 0.3° |
| C10 | C08 | C07 | H16 | 174.1° | 150.0° |
| C10 | C08 | C07 | H17 | 65.0° | 30.0° |
| C08 | C10 | C09 | H18 | 179.3° | 179.7° |
| C10 | C08 | C11 | H19 | 179.3° | 180.0° |
| C11 | C08 | C10 | C09 | 0.5° | 0.0° |
| C08 | C11 | C12 | H19 | 180.0° | 179.9° |
| C08 | C11 | C12 | C13 | 1.3° | 0.2° |
| C11 | C08 | C10 | H1 | 179.5° | 179.7° |
| C11 | C08 | C07 | H16 | 5.5° | 30.1° |
| C11 | C08 | C07 | H17 | 115.4° | 150.1° |
| C08 | C11 | C12 | H20 | 178.7° | 180.0° |
| C10 | C09 | C13 | H18 | 180.0° | 180.0° |
| C10 | C09 | C13 | C12 | 1.3° | 0.6° |
| C10 | C09 | C13 | C18 | 179.2° | 180.0° |
| C05 | C01 | C06 | H7 | 117.7° | 120.1° |
| C05 | C01 | C06 | N02 | 22.7° | 179.9° |
| C05 | C01 | C06 | O01 | 157.7° | 0.1° |
| C05 | C01 | C02 | H8 | 173.7° | 62.2° |
| C05 | C01 | C02 | H9 | 66.6° | 177.6° |
| C01 | C05 | H14 | H15 | 119.6° | 120.0° |
| C01 | C06 | N02 | O01 | 179.6° | 180.0° |
| C01 | C06 | N02 | C14 | 179.9° | 180.0° |
| C06 | C01 | C02 | H8 | 51.5° | 177.8° |
| C06 | C01 | C02 | H9 | 171.1° | 57.6° |
| C06 | C01 | C05 | H14 | 173.4° | 59.3° |
| C06 | C01 | C05 | H15 | 53.7° | 179.2° |
| C01 | C06 | N02 | H44 | 0.1° | 0.0° |
| C11 | C12 | C13 | C09 | 1.6° | 0.5° |
| C11 | C12 | C13 | H20 | 180.0° | 179.8° |
| C11 | C12 | C13 | C18 | 179.5° | 179.9° |
| C09 | C13 | C12 | C18 | 178.0° | 179.4° |
| C09 | C13 | C18 | O02 | 16.5° | 0.0° |
| C09 | C13 | C18 | N04 | 166.7° | 180.0° |
| C13 | C09 | C10 | H1 | 179.2° | 180.0° |
| C09 | C13 | C12 | H20 | 178.4° | 179.7° |
| C14 | C15 | C16 | H2 | 120.2° | 119.9° |
| C14 | C15 | C16 | H3 | 120.3° | 120.0° |
| C15 | C14 | N02 | C06 | 149.8° | 180.0° |
| C15 | C14 | N02 | H21 | 120.5° | 120.0° |
| C15 | C14 | N02 | H22 | 120.5° | 120.0° |
| C14 | C15 | C16 | N03 | 120.4° | 180.0° |
| C14 | C15 | H2 | H3 | 119.2° | 120.0° |
| C15 | C14 | H21 | H22 | 118.5° | 120.0° |
| C14 | C15 | C16 | H23 | 0.1° | 60.0° |
| C14 | C15 | C16 | H24 | 119.1° | 60.0° |
| C15 | C14 | N02 | H44 | 30.2° | 0.0° |
| C16 | C15 | C14 | N02 | 124.5° | 180.0° |
| C15 | C16 | N03 | H23 | 120.5° | 120.0° |
| C15 | C16 | N03 | H24 | 120.5° | 120.0° |
| C15 | C16 | N03 | C17 | 168.0° | 175.8° |
| C16 | C15 | H2 | H3 | 119.2° | 120.0° |
| C16 | C15 | C14 | H21 | 4.0° | 60.0° |
| C16 | C15 | C14 | H22 | 115.0° | 60.0° |
| C15 | C16 | H23 | H24 | 118.6° | 120.0° |
| C15 | C16 | N03 | H45 | 70.0° | 51.8° |
| C06 | N02 | C14 | H44 | 180.0° | 180.0° |
| N02 | C06 | C01 | H7 | 140.5° | 60.0° |
| C06 | N02 | C14 | H21 | 89.7° | 60.0° |
| C06 | N02 | C14 | H22 | 29.3° | 60.0° |
| C14 | N02 | C06 | O01 | 0.5° | 0.0° |
| N02 | C14 | C15 | H2 | 4.2° | 60.0° |
| N02 | C14 | C15 | H3 | 115.2° | 60.0° |
| N02 | C14 | H21 | H22 | 118.4° | 120.0° |
| O01 | C06 | C01 | H7 | 39.9° | 120.0° |
| O01 | C06 | N02 | H44 | 179.5° | 179.9° |
| C33 | C36 | C35 | H37 | 119.8° | 119.7° |
| C33 | C36 | C35 | H38 | 119.8° | 119.6° |
| C36 | C33 | C27 | H31 | 121.4° | 120.2° |
| C36 | C33 | C27 | H32 | 121.4° | 120.3° |
| C33 | C36 | C35 | C34 | 59.7° | 70.0° |
| C36 | C33 | C27 | C17 | 162.8° | 162.4° |
| C36 | C33 | C27 | C26 | 17.3° | 17.9° |
| C36 | C33 | H31 | H32 | 115.5° | 119.4° |
| C33 | C36 | C35 | H35 | 60.1° | 170.2° |
| C33 | C36 | C35 | H36 | 179.6° | 49.8° |
| C33 | C36 | H37 | H38 | 120.6° | 120.6° |
| C35 | C36 | C33 | C27 | 48.2° | 51.0° |
| C36 | C35 | C34 | H35 | 119.8° | 119.7° |
| C36 | C35 | C34 | H36 | 119.9° | 119.9° |
| C36 | C35 | C34 | C26 | 47.1° | 51.6° |
| C35 | C36 | C33 | H31 | 169.6° | 69.3° |
| C35 | C36 | C33 | H32 | 73.2° | 171.3° |
| C36 | C35 | C34 | H33 | 168.1° | 68.7° |
| C36 | C35 | C34 | H34 | 73.9° | 171.9° |
| C36 | C35 | H35 | H36 | 120.5° | 120.6° |
| C35 | C36 | H37 | H38 | 120.6° | 120.5° |
| C12 | C13 | C18 | O02 | 161.4° | 179.4° |
| C12 | C13 | C18 | N04 | 15.4° | 0.6° |
| C12 | C13 | C09 | H18 | 178.8° | 179.5° |
| C13 | C12 | C11 | H19 | 178.7° | 179.7° |
| C13 | C18 | O02 | N04 | 177.0° | 180.0° |
| C13 | C18 | N04 | C19 | 177.7° | 180.0° |
| C18 | C13 | C09 | H18 | 0.8° | 0.1° |
| C18 | C13 | C12 | H20 | 0.5° | 0.3° |
| C13 | C18 | N04 | H46 | 2.3° | 0.1° |
| C33 | C27 | C17 | N03 | 0.5° | 0.2° |
| C33 | C27 | C17 | C26 | 179.9° | 179.7° |
| C33 | C27 | C17 | C28 | 179.7° | 179.5° |
| C33 | C27 | C26 | C34 | 1.1° | 1.1° |
| C33 | C27 | C26 | N06 | 179.3° | 179.2° |
| C27 | C33 | H31 | H32 | 115.5° | 119.5° |
| C27 | C33 | C36 | H37 | 168.0° | 170.7° |
| C27 | C33 | C36 | H38 | 71.6° | 68.6° |
| C16 | N03 | C17 | H45 | 122.0° | 124.0° |
| C16 | N03 | C17 | C27 | 79.0° | 96.6° |
| C16 | N03 | C17 | C28 | 100.8° | 83.6° |
| N03 | C16 | C15 | H2 | 119.4° | 60.1° |
| N03 | C16 | C15 | H3 | 0.1° | 60.0° |
| N03 | C16 | H23 | H24 | 118.6° | 120.0° |
| N03 | C17 | C27 | C28 | 179.8° | 179.7° |
| N03 | C17 | C27 | C26 | 179.4° | 179.9° |
| N03 | C17 | C28 | C30 | 1.0° | 0.3° |
| N03 | C17 | C28 | C25 | 179.6° | 179.6° |
| C17 | N03 | C16 | H23 | 47.6° | 64.2° |
| C17 | N03 | C16 | H24 | 71.5° | 55.8° |
| O02 | C18 | N04 | C19 | 0.8° | 0.0° |
| O02 | C18 | N04 | H46 | 179.2° | 179.9° |
| C18 | N04 | C19 | H46 | 180.0° | 180.0° |
| C18 | N04 | C19 | C20 | 165.0° | 180.0° |
| C18 | N04 | C19 | H25 | 45.1° | 60.0° |
| C18 | N04 | C19 | H26 | 75.0° | 60.0° |
| C35 | C34 | C26 | C27 | 16.6° | 18.3° |
| C35 | C34 | C26 | H33 | 121.0° | 120.3° |
| C35 | C34 | C26 | H34 | 121.0° | 120.3° |
| C35 | C34 | C26 | N06 | 165.0° | 162.1° |
| C35 | C34 | H33 | H34 | 116.9° | 119.4° |
| C34 | C35 | H35 | H36 | 120.4° | 120.4° |
| C34 | C35 | C36 | H37 | 179.6° | 170.2° |
| C34 | C35 | C36 | H38 | 60.1° | 49.6° |
| C17 | C27 | C26 | C34 | 179.0° | 179.2° |
| C17 | C27 | C26 | N06 | 0.7° | 0.5° |
| C27 | C17 | C28 | C30 | 179.2° | 180.0° |
| C27 | C17 | C28 | C25 | 0.1° | 0.1° |
| C17 | C27 | C33 | H31 | 41.4° | 77.4° |
| C17 | C27 | C33 | H32 | 75.8° | 42.1° |
| C27 | C17 | N03 | H45 | 43.0° | 139.4° |
| C26 | C27 | C17 | C28 | 0.4° | 0.2° |
| C27 | C26 | C34 | N06 | 178.3° | 179.7° |
| C27 | C26 | N06 | C25 | 0.8° | 0.5° |
| C26 | C27 | C33 | H31 | 138.7° | 102.4° |
| C26 | C27 | C33 | H32 | 104.1° | 138.2° |
| C27 | C26 | C34 | H33 | 137.6° | 102.0° |
| C27 | C26 | C34 | H34 | 104.4° | 138.6° |
| C17 | C28 | C30 | C25 | 179.3° | 179.9° |
| C17 | C28 | C30 | C32 | 178.9° | 179.9° |
| C17 | C28 | C25 | N06 | 0.3° | 0.2° |
| C17 | C28 | C25 | C29 | 179.8° | 179.9° |
| C17 | C28 | C30 | H28 | 1.1° | 0.1° |
| C28 | C17 | N03 | H45 | 137.2° | 40.3° |
| N04 | C19 | C20 | H25 | 120.0° | 120.0° |
| N04 | C19 | C20 | H26 | 119.9° | 120.0° |
| N04 | C19 | C20 | C21 | 56.9° | 180.0° |
| N04 | C19 | C20 | H4 | 63.5° | 60.0° |
| N04 | C19 | C20 | H5 | 177.3° | 60.0° |
| N04 | C19 | H25 | H26 | 120.2° | 120.0° |
| C34 | C26 | N06 | C25 | 179.1° | 179.2° |
| C26 | C34 | H33 | H34 | 116.9° | 119.4° |
| C26 | C34 | C35 | H35 | 72.7° | 171.3° |
| C26 | C34 | C35 | H36 | 167.0° | 68.4° |
| C26 | N06 | C25 | C28 | 0.6° | 0.1° |
| C26 | N06 | C25 | C29 | 179.9° | 179.8° |
| N06 | C26 | C34 | H33 | 44.1° | 77.6° |
| N06 | C26 | C34 | H34 | 74.0° | 41.8° |
| C28 | C30 | C32 | H28 | 180.0° | 180.0° |
| C30 | C28 | C25 | N06 | 179.1° | 179.9° |
| C30 | C28 | C25 | C29 | 0.4° | 0.0° |
| C28 | C30 | C32 | C31 | 2.3° | 0.0° |
| C28 | C30 | C32 | H30 | 177.7° | 180.0° |
| C25 | C28 | C30 | C32 | 1.8° | 0.0° |
| C28 | C25 | N06 | C29 | 179.6° | 179.9° |
| C28 | C25 | C29 | C31 | 0.3° | 0.0° |
| C28 | C25 | C29 | H27 | 179.7° | 179.9° |
| C25 | C28 | C30 | H28 | 178.2° | 180.0° |
| C30 | C32 | C31 | H30 | 180.0° | 180.0° |
| C30 | C32 | C31 | C29 | 1.5° | 0.0° |
| C30 | C32 | C31 | H29 | 178.5° | 180.0° |
| C19 | C20 | C21 | C22 | 87.4° | 94.7° |
| C19 | C20 | C21 | H4 | 120.4° | 120.0° |
| C19 | C20 | C21 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | C23 | 89.1° | 85.0° |
| C19 | C20 | H4 | H5 | 118.8° | 120.0° |
| C20 | C19 | H25 | H26 | 120.2° | 120.0° |
| C20 | C19 | N04 | H46 | 15.0° | 0.0° |
| N06 | C25 | C29 | C31 | 179.9° | 179.9° |
| N06 | C25 | C29 | H27 | 0.1° | 0.2° |
| C25 | C29 | C31 | C32 | 0.2° | 0.0° |
| C25 | C29 | C31 | H27 | 180.0° | 179.9° |
| C25 | C29 | C31 | H29 | 179.8° | 180.0° |
| C21 | C22 | N05 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C23 | 176.4° | 179.7° |
| C21 | C22 | N05 | C24 | 0.5° | 0.2° |
| C22 | C21 | C23 | C24 | 0.9° | 0.3° |
| C22 | C21 | C23 | C38 | 179.5° | 179.7° |
| C22 | C21 | C20 | H4 | 33.0° | 25.4° |
| C22 | C21 | C20 | H5 | 152.2° | 145.3° |
| C21 | C22 | N05 | H47 | 179.4° | 179.9° |
| N05 | C22 | C21 | C20 | 178.0° | 180.0° |
| N05 | C22 | C21 | C23 | 0.9° | 0.3° |
| C22 | N05 | C24 | H47 | 180.0° | 179.9° |
| C22 | N05 | C24 | C23 | 0.0° | 0.0° |
| C22 | N05 | C24 | C37 | 179.2° | 179.9° |
| C20 | C21 | C23 | C24 | 177.7° | 180.0° |
| C20 | C21 | C23 | C38 | 3.7° | 0.0° |
| C21 | C20 | H4 | H5 | 118.8° | 119.9° |
| C20 | C21 | C22 | H6 | 2.0° | 0.1° |
| C21 | C20 | C19 | H25 | 176.9° | 60.0° |
| C21 | C20 | C19 | H26 | 63.0° | 60.0° |
| C32 | C31 | C29 | H29 | 180.0° | 180.0° |
| C32 | C31 | C29 | H27 | 179.8° | 179.9° |
| C31 | C32 | C30 | H28 | 177.7° | 180.0° |
| C21 | C23 | C24 | N05 | 0.5° | 0.2° |
| C21 | C23 | C24 | C38 | 178.9° | 180.0° |
| C21 | C23 | C24 | C37 | 178.8° | 179.9° |
| C21 | C23 | C38 | C39 | 179.2° | 180.0° |
| C23 | C21 | C20 | H4 | 150.5° | 155.0° |
| C23 | C21 | C20 | H5 | 31.3° | 35.0° |
| C23 | C21 | C22 | H6 | 179.1° | 179.8° |
| C21 | C23 | C38 | H40 | 0.8° | 0.0° |
| N05 | C24 | C23 | C37 | 179.3° | 179.9° |
| N05 | C24 | C23 | C38 | 179.5° | 179.8° |
| N05 | C24 | C37 | C40 | 179.8° | 179.8° |
| C24 | N05 | C22 | H6 | 179.5° | 179.9° |
| N05 | C24 | C37 | H39 | 0.1° | 0.2° |
| C29 | C31 | C32 | H30 | 178.5° | 180.0° |
| C24 | C23 | C38 | C39 | 0.7° | 0.1° |
| C23 | C24 | C37 | C40 | 0.7° | 0.1° |
| C23 | C24 | C37 | H39 | 179.2° | 179.9° |
| C24 | C23 | C38 | H40 | 179.3° | 180.0° |
| C23 | C24 | N05 | H47 | 180.0° | 179.9° |
| C38 | C23 | C24 | C37 | 0.2° | 0.1° |
| C23 | C38 | C39 | H40 | 180.0° | 179.9° |
| C23 | C38 | C39 | C40 | 1.0° | 0.1° |
| C23 | C38 | C39 | H41 | 179.0° | 180.0° |
| C24 | C37 | C40 | H39 | 180.0° | 179.9° |
| C24 | C37 | C40 | C39 | 0.5° | 0.1° |
| C24 | C37 | C40 | H42 | 179.5° | 180.0° |
| C37 | C24 | N05 | H47 | 0.8° | 0.0° |
| C38 | C39 | C40 | C37 | 0.4° | 0.1° |
| C38 | C39 | C40 | H41 | 180.0° | 179.9° |
| C38 | C39 | C40 | H42 | 179.6° | 180.0° |
| C37 | C40 | C39 | H42 | 180.0° | 179.9° |
| C37 | C40 | C39 | H41 | 179.7° | 179.9° |
| C39 | C40 | C37 | H39 | 179.5° | 179.9° |
| C40 | C39 | C38 | H40 | 179.0° | 180.0° |
| H1 | C10 | C09 | H18 | 0.7° | 0.0° |
| H2 | C15 | C14 | H21 | 116.3° | 60.0° |
| H2 | C15 | C14 | H22 | 124.7° | 179.9° |
| H2 | C15 | C16 | H23 | 120.2° | 179.9° |
| H2 | C15 | C16 | H24 | 1.1° | 59.9° |
| H3 | C15 | C14 | H21 | 124.3° | 180.0° |
| H3 | C15 | C14 | H22 | 5.3° | 60.0° |
| H3 | C15 | C16 | H23 | 120.4° | 60.0° |
| H3 | C15 | C16 | H24 | 120.6° | 180.0° |
| H4 | C20 | C19 | H25 | 56.4° | 180.0° |
| H4 | C20 | C19 | H26 | 176.5° | 59.9° |
| H5 | C20 | C19 | H25 | 62.8° | 59.9° |
| H5 | C20 | C19 | H26 | 57.4° | 180.0° |
| H6 | C22 | N05 | H47 | 0.6° | 0.0° |
| H7 | C01 | C02 | H8 | 68.6° | 57.8° |
| H7 | C01 | C02 | H9 | 51.0° | 62.4° |
| H7 | C01 | C05 | H14 | 55.5° | 60.8° |
| H7 | C01 | C05 | H15 | 64.3° | 59.2° |
| H8 | C02 | C03 | H10 | 55.4° | 57.7° |
| H8 | C02 | C03 | H11 | 64.7° | 177.8° |
| H9 | C02 | C03 | H10 | 175.1° | 62.5° |
| H9 | C02 | C03 | H11 | 54.9° | 57.7° |
| H10 | C03 | C04 | H12 | 178.2° | 59.1° |
| H10 | C03 | C04 | H13 | 62.2° | 60.8° |
| H11 | C03 | C04 | H12 | 61.6° | 179.2° |
| H11 | C03 | C04 | H13 | 58.0° | 59.3° |
| H19 | C11 | C12 | H20 | 1.3° | 0.1° |
| H21 | C14 | N02 | H44 | 90.3° | 120.0° |
| H22 | C14 | N02 | H44 | 150.7° | 120.0° |
| H23 | C16 | N03 | H45 | 169.6° | 171.8° |
| H24 | C16 | N03 | H45 | 50.5° | 68.2° |
| H25 | C19 | N04 | H46 | 134.9° | 120.0° |
| H26 | C19 | N04 | H46 | 105.0° | 120.0° |
| H27 | C29 | C31 | H29 | 0.2° | 0.1° |
| H28 | C30 | C32 | H30 | 2.3° | 0.0° |
| H29 | C31 | C32 | H30 | 1.5° | 0.0° |
| H31 | C33 | C36 | H37 | 70.5° | 50.5° |
| H31 | C33 | C36 | H38 | 49.8° | 171.1° |
| H32 | C33 | C36 | H37 | 46.6° | 68.9° |
| H32 | C33 | C36 | H38 | 167.0° | 51.7° |
| H33 | C34 | C35 | H35 | 48.3° | 51.0° |
| H33 | C34 | C35 | H36 | 72.0° | 171.3° |
| H34 | C34 | C35 | H35 | 166.3° | 68.4° |
| H34 | C34 | C35 | H36 | 46.0° | 51.9° |
| H35 | C35 | C36 | H37 | 59.7° | 50.5° |
| H35 | C35 | C36 | H38 | 179.9° | 70.1° |
| H36 | C35 | C36 | H37 | 60.6° | 69.9° |
| H36 | C35 | C36 | H38 | 59.8° | 169.5° |
| H39 | C37 | C40 | H42 | 0.5° | 0.1° |
| H40 | C38 | C39 | H41 | 0.9° | 0.1° |
| H41 | C39 | C40 | H42 | 0.4° | 0.1° |
