ILU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | O04 | sing | 1.43Å | 1.41Å | |
| O04 | C28 | sing | 1.43Å | 1.39Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | O03 | sing | 1.43Å | 1.39Å | |
| C18 | N02 | sing | 1.46Å | 1.44Å | |
| O03 | C26 | sing | 1.43Å | 1.40Å | |
| N02 | C11 | doub | 1.32Å | 1.44Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C11 | C09 | sing | 1.46Å | 1.39Å | |
| C11 | C10 | sing | 1.47Å | 1.39Å | |
| C09 | C07 | doub | 1.35Å | 1.39Å | |
| C25 | N03 | sing | 1.47Å | 1.46Å | |
| C10 | C08 | doub | 1.33Å | 1.38Å | |
| N03 | C24 | sing | 1.35Å | 1.45Å | |
| C07 | C06 | sing | 1.42Å | 1.39Å | |
| O02 | C24 | doub | 1.22Å | 1.19Å | |
| C24 | C23 | sing | 1.48Å | 1.52Å | |
| C08 | C06 | sing | 1.43Å | 1.38Å | |
| C08 | SI01 | sing | 1.89Å | 1.92Å | |
| C06 | C01 | doub | 1.39Å | 1.51Å | |
| C23 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | SI01 | sing | 1.86Å | 1.89Å | |
| C22 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| SI01 | C20 | sing | 1.86Å | 1.89Å | |
| SI01 | C14 | sing | 1.89Å | 1.91Å | |
| C03 | C01 | sing | 1.47Å | 1.52Å | |
| C03 | C02 | doub | 1.41Å | 1.39Å | Aromatic |
| C01 | C12 | sing | 1.45Å | 1.50Å | |
| C04 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | C21 | sing | 1.48Å | 1.56Å | |
| C12 | C14 | doub | 1.41Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | O01 | doub | 1.22Å | 1.19Å | |
| C21 | N04 | sing | 1.35Å | 1.45Å | |
| C14 | C16 | sing | 1.34Å | 1.38Å | Aromatic |
| N04 | C35 | sing | 1.36Å | 1.46Å | |
| C35 | N05 | trip | 1.14Å | 1.25Å | |
| C13 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | N01 | sing | 1.39Å | 1.46Å | |
| C04 | H01 | sing | 1.08Å | 1.08Å | |
| C05 | H02 | sing | 1.08Å | 1.08Å | |
| C07 | H03 | sing | 1.08Å | 1.08Å | |
| C09 | H04 | sing | 1.08Å | 1.08Å | |
| C10 | H05 | sing | 1.08Å | 1.08Å | |
| C13 | H06 | sing | 1.08Å | 1.08Å | |
| C15 | H07 | sing | 1.08Å | 1.08Å | |
| C16 | H08 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H09 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N03 | H22 | sing | 0.97Å | 1.00Å | |
| N04 | H43 | sing | 0.97Å | 1.00Å | |
| C34 | CL1 | sing | 1.80Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 104.7° | 109.5° |
| C34 | C33 | H40 | 110.6° | 109.5° |
| C34 | C33 | H39 | 110.6° | 109.5° |
| C33 | C34 | H41 | 104.9° | 109.5° |
| C33 | C34 | H42 | 104.9° | 109.5° |
| C33 | C34 | CL1 | 127.3° | 109.5° |
| C33 | C32 | C31 | 112.0° | 109.5° |
| C33 | C32 | H37 | 108.8° | 109.5° |
| C33 | C32 | H38 | 108.8° | 109.5° |
| C32 | C33 | H40 | 110.7° | 109.5° |
| C32 | C33 | H39 | 110.6° | 109.5° |
| C32 | C31 | C30 | 111.3° | 109.5° |
| C32 | C31 | H36 | 109.0° | 109.5° |
| C32 | C31 | H35 | 109.0° | 109.5° |
| C31 | C32 | H37 | 108.8° | 109.4° |
| C31 | C32 | H38 | 108.8° | 109.5° |
| C31 | C30 | C29 | 110.3° | 109.4° |
| C31 | C30 | H33 | 109.3° | 109.4° |
| C31 | C30 | H34 | 109.2° | 109.5° |
| C30 | C31 | H36 | 109.0° | 109.5° |
| C30 | C31 | H35 | 109.0° | 109.5° |
| C30 | C29 | O04 | 111.5° | 109.4° |
| C30 | C29 | H31 | 109.0° | 109.5° |
| C30 | C29 | H32 | 108.9° | 109.5° |
| C29 | C30 | H33 | 109.3° | 109.5° |
| C29 | C30 | H34 | 109.3° | 109.5° |
| C29 | O04 | C28 | 111.5° | 114.0° |
| O04 | C29 | H31 | 108.9° | 109.4° |
| O04 | C29 | H32 | 109.0° | 109.5° |
| O04 | C28 | C27 | 110.5° | 109.5° |
| O04 | C28 | H29 | 109.2° | 109.5° |
| O04 | C28 | H30 | 109.2° | 109.5° |
| C28 | C27 | O03 | 113.5° | 109.5° |
| C28 | C27 | H27 | 108.5° | 109.4° |
| C28 | C27 | H28 | 108.5° | 109.5° |
| C27 | C28 | H29 | 109.2° | 109.5° |
| C27 | C28 | H30 | 109.2° | 109.5° |
| C27 | O03 | C26 | 125.8° | 114.0° |
| O03 | C27 | H27 | 108.5° | 109.5° |
| O03 | C27 | H28 | 108.4° | 109.5° |
| C18 | N02 | C11 | 119.5° | 120.0° |
| N02 | C18 | H11 | 109.5° | 109.5° |
| N02 | C18 | H09 | 109.5° | 109.5° |
| N02 | C18 | H10 | 109.5° | 109.5° |
| C18 | N02 | H20 | 120.3° | 120.0° |
| O03 | C26 | C25 | 113.2° | 109.5° |
| O03 | C26 | H26 | 108.5° | 109.5° |
| O03 | C26 | H25 | 108.5° | 109.5° |
| N02 | C11 | C09 | 120.8° | 121.0° |
| N02 | C11 | C10 | 121.3° | 121.0° |
| C11 | N02 | H20 | 120.2° | 120.0° |
| C26 | C25 | N03 | 105.6° | 109.4° |
| C26 | C25 | H24 | 110.4° | 109.5° |
| C26 | C25 | H23 | 110.4° | 109.4° |
| C25 | C26 | H26 | 108.5° | 109.5° |
| C25 | C26 | H25 | 108.5° | 109.5° |
| C09 | C11 | C10 | 117.8° | 118.0° |
| C11 | C09 | C07 | 120.8° | 120.4° |
| C11 | C09 | H04 | 119.6° | 119.8° |
| C11 | C10 | C08 | 121.1° | 118.6° |
| C11 | C10 | H05 | 119.5° | 120.8° |
| C09 | C07 | C06 | 120.8° | 121.4° |
| C09 | C07 | H03 | 119.6° | 119.3° |
| C07 | C09 | H04 | 119.6° | 119.8° |
| C25 | N03 | C24 | 120.1° | 120.0° |
| N03 | C25 | H24 | 110.4° | 109.5° |
| N03 | C25 | H23 | 110.4° | 109.5° |
| C25 | N03 | H22 | 120.0° | 120.0° |
| C10 | C08 | C06 | 121.7° | 123.7° |
| C10 | C08 | SI01 | 118.8° | 122.1° |
| C08 | C10 | H05 | 119.5° | 120.7° |
| N03 | C24 | O02 | 119.2° | 120.0° |
| N03 | C24 | C23 | 120.1° | 120.0° |
| C24 | N03 | H22 | 119.9° | 120.0° |
| C07 | C06 | C08 | 117.7° | 118.1° |
| C07 | C06 | C01 | 117.1° | 119.2° |
| C06 | C07 | H03 | 119.6° | 119.3° |
| O02 | C24 | C23 | 120.5° | 120.0° |
| C24 | C23 | C05 | 117.2° | 119.9° |
| C24 | C23 | C22 | 124.2° | 119.9° |
| C06 | C08 | SI01 | 119.4° | 114.2° |
| C08 | C06 | C01 | 125.2° | 122.8° |
| C08 | SI01 | C19 | 112.3° | 109.1° |
| C08 | SI01 | C20 | 107.5° | 109.1° |
| C08 | SI01 | C14 | 104.2° | 111.5° |
| C06 | C01 | C03 | 113.4° | 112.5° |
| C06 | C01 | C12 | 124.8° | 135.0° |
| C05 | C23 | C22 | 118.1° | 120.2° |
| C23 | C05 | C03 | 120.5° | 119.8° |
| C23 | C05 | H02 | 119.8° | 120.1° |
| C23 | C22 | C04 | 120.8° | 120.3° |
| C23 | C22 | H21 | 119.6° | 119.9° |
| C05 | C03 | C01 | 115.5° | 120.2° |
| C05 | C03 | C02 | 122.0° | 119.6° |
| C03 | C05 | H02 | 119.8° | 120.0° |
| C19 | SI01 | C20 | 112.6° | 109.1° |
| C19 | SI01 | C14 | 109.5° | 108.9° |
| SI01 | C19 | H14 | 109.5° | 109.5° |
| SI01 | C19 | H15 | 109.4° | 109.4° |
| SI01 | C19 | H16 | 109.5° | 109.5° |
| C22 | C04 | C02 | 121.7° | 120.2° |
| C22 | C04 | H01 | 119.2° | 119.9° |
| C04 | C22 | H21 | 119.6° | 119.8° |
| C20 | SI01 | C14 | 110.3° | 109.2° |
| SI01 | C20 | H18 | 109.5° | 109.5° |
| SI01 | C20 | H17 | 109.5° | 109.4° |
| SI01 | C20 | H19 | 109.5° | 109.4° |
| SI01 | C14 | C12 | 121.1° | 114.0° |
| SI01 | C14 | C16 | 117.3° | 122.9° |
| C01 | C03 | C02 | 122.4° | 120.2° |
| C03 | C01 | C12 | 115.4° | 112.5° |
| C03 | C02 | C04 | 116.8° | 119.9° |
| C03 | C02 | C21 | 120.8° | 120.1° |
| C01 | C12 | C14 | 123.5° | 122.6° |
| C01 | C12 | C13 | 118.5° | 120.4° |
| C04 | C02 | C21 | 122.4° | 120.1° |
| C02 | C04 | H01 | 119.2° | 119.9° |
| C02 | C21 | O01 | 120.4° | 120.0° |
| C02 | C21 | N04 | 127.0° | 120.0° |
| C14 | C12 | C13 | 117.9° | 117.0° |
| C12 | C14 | C16 | 121.5° | 123.1° |
| C12 | C13 | C15 | 119.9° | 120.2° |
| C12 | C13 | H06 | 120.1° | 119.9° |
| O01 | C21 | N04 | 112.7° | 120.0° |
| C21 | N04 | C35 | 126.3° | 120.0° |
| C21 | N04 | H43 | 116.9° | 120.0° |
| C14 | C16 | C17 | 121.4° | 119.0° |
| C14 | C16 | H08 | 119.3° | 120.5° |
| N04 | C35 | N05 | 179.7° | 180.0° |
| C35 | N04 | H43 | 116.8° | 119.9° |
| C13 | C15 | C17 | 121.9° | 121.3° |
| C15 | C13 | H06 | 120.0° | 119.9° |
| C13 | C15 | H07 | 119.0° | 119.3° |
| C16 | C17 | C15 | 117.3° | 119.4° |
| C16 | C17 | N01 | 120.2° | 120.3° |
| C17 | C16 | H08 | 119.3° | 120.4° |
| C15 | C17 | N01 | 122.5° | 120.3° |
| C17 | C15 | H07 | 119.1° | 119.3° |
| C17 | N01 | H12 | 109.5° | 120.0° |
| C17 | N01 | H13 | 109.4° | 120.0° |
| H11 | C18 | H09 | 109.5° | 109.4° |
| H11 | C18 | H10 | 109.5° | 109.5° |
| H09 | C18 | H10 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H18 | C20 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.4° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H24 | C25 | H23 | 109.5° | 109.5° |
| H26 | C26 | H25 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.4° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H36 | C31 | H35 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.4° |
| H40 | C33 | H39 | 109.5° | 109.4° |
| H41 | C34 | H42 | 109.4° | 109.5° |
| H41 | C34 | CL1 | 104.9° | 109.5° |
| H42 | C34 | CL1 | 104.9° | 109.4° |
| H12 | N01 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H40 | 119.2° | 120.0° |
| C34 | C33 | C32 | H39 | 119.3° | 120.1° |
| C34 | C33 | C32 | C31 | 162.3° | 180.0° |
| C34 | C33 | C32 | H37 | 42.0° | 60.0° |
| C34 | C33 | C32 | H38 | 77.3° | 59.9° |
| C34 | C33 | H40 | H39 | 122.2° | 120.0° |
| C33 | C34 | H41 | H42 | 112.0° | 120.1° |
| C33 | C34 | H41 | CL1 | 135.9° | 120.0° |
| C33 | C34 | H42 | CL1 | 135.9° | 120.0° |
| C33 | C32 | C31 | H37 | 120.4° | 120.0° |
| C33 | C32 | C31 | H38 | 120.4° | 120.1° |
| C33 | C32 | C31 | C30 | 176.3° | 180.0° |
| C33 | C32 | C31 | H36 | 56.1° | 60.0° |
| C33 | C32 | C31 | H35 | 63.4° | 60.0° |
| C33 | C32 | H37 | H38 | 118.8° | 120.0° |
| C32 | C33 | H40 | H39 | 122.2° | 120.0° |
| C32 | C33 | C34 | H41 | 162.3° | 60.0° |
| C32 | C33 | C34 | H42 | 47.0° | 60.0° |
| C32 | C33 | C34 | CL1 | 75.3° | 180.0° |
| C32 | C31 | C30 | H36 | 120.3° | 120.0° |
| C32 | C31 | C30 | H35 | 120.3° | 120.0° |
| C32 | C31 | C30 | C29 | 166.0° | 180.0° |
| C32 | C31 | C30 | H33 | 45.8° | 60.0° |
| C32 | C31 | C30 | H34 | 73.9° | 60.0° |
| C32 | C31 | H36 | H35 | 119.2° | 120.0° |
| C31 | C32 | H37 | H38 | 118.8° | 119.9° |
| C31 | C32 | C33 | H40 | 78.4° | 60.0° |
| C31 | C32 | C33 | H39 | 43.1° | 59.9° |
| C31 | C30 | C29 | H33 | 120.1° | 120.0° |
| C31 | C30 | C29 | H34 | 120.1° | 120.0° |
| C31 | C30 | C29 | O04 | 66.0° | 180.0° |
| C31 | C30 | C29 | H31 | 54.3° | 60.0° |
| C31 | C30 | C29 | H32 | 173.7° | 60.0° |
| C31 | C30 | H33 | H34 | 119.6° | 120.0° |
| C30 | C31 | H36 | H35 | 119.2° | 120.0° |
| C30 | C31 | C32 | H37 | 63.3° | 60.0° |
| C30 | C31 | C32 | H38 | 56.0° | 59.9° |
| C30 | C29 | O04 | H31 | 120.3° | 120.0° |
| C30 | C29 | O04 | H32 | 120.3° | 120.0° |
| C30 | C29 | O04 | C28 | 168.2° | 180.0° |
| C30 | C29 | H31 | H32 | 119.1° | 120.0° |
| C29 | C30 | H33 | H34 | 119.6° | 120.0° |
| C29 | C30 | C31 | H36 | 73.8° | 60.0° |
| C29 | C30 | C31 | H35 | 45.7° | 60.0° |
| C29 | O04 | C28 | C27 | 147.4° | 180.0° |
| C29 | O04 | C28 | H29 | 92.5° | 60.0° |
| C29 | O04 | C28 | H30 | 27.2° | 59.9° |
| O04 | C29 | H31 | H32 | 119.1° | 120.0° |
| O04 | C29 | C30 | H33 | 173.9° | 60.0° |
| O04 | C29 | C30 | H34 | 54.1° | 60.0° |
| O04 | C28 | C27 | H29 | 120.1° | 120.0° |
| O04 | C28 | C27 | H30 | 120.2° | 120.0° |
| O04 | C28 | C27 | O03 | 155.0° | 65.0° |
| O04 | C28 | C27 | H27 | 84.4° | 175.0° |
| O04 | C28 | C27 | H28 | 34.4° | 55.0° |
| O04 | C28 | H29 | H30 | 119.6° | 120.0° |
| C28 | O04 | C29 | H31 | 47.9° | 60.0° |
| C28 | O04 | C29 | H32 | 71.5° | 60.0° |
| C28 | C27 | O03 | H27 | 120.6° | 120.0° |
| C28 | C27 | O03 | H28 | 120.6° | 120.0° |
| C28 | C27 | O03 | C26 | 63.4° | 180.0° |
| C28 | C27 | H27 | H28 | 118.2° | 119.9° |
| C27 | C28 | H29 | H30 | 119.5° | 120.0° |
| C27 | O03 | C26 | C25 | 135.5° | 180.0° |
| C27 | O03 | C26 | H26 | 103.9° | 60.0° |
| C27 | O03 | C26 | H25 | 15.0° | 60.0° |
| O03 | C27 | H27 | H28 | 118.1° | 120.1° |
| O03 | C27 | C28 | H29 | 34.9° | 175.0° |
| O03 | C27 | C28 | H30 | 84.8° | 55.0° |
| C18 | N02 | C11 | H20 | 180.0° | 180.0° |
| C18 | N02 | C11 | C09 | 41.6° | 0.0° |
| C18 | N02 | C11 | C10 | 141.4° | 180.0° |
| N02 | C18 | H11 | H09 | 120.0° | 120.0° |
| N02 | C18 | H11 | H10 | 120.0° | 120.0° |
| N02 | C18 | H09 | H10 | 120.0° | 120.0° |
| O03 | C26 | C25 | H26 | 120.5° | 120.0° |
| O03 | C26 | C25 | H25 | 120.6° | 120.0° |
| O03 | C26 | C25 | N03 | 149.5° | 65.0° |
| O03 | C26 | C25 | H24 | 91.1° | 175.0° |
| O03 | C26 | C25 | H23 | 30.2° | 55.0° |
| O03 | C26 | H26 | H25 | 118.3° | 120.0° |
| C26 | O03 | C27 | H27 | 57.3° | 60.0° |
| C26 | O03 | C27 | H28 | 176.0° | 60.0° |
| N02 | C11 | C09 | C10 | 177.1° | 179.9° |
| N02 | C11 | C09 | C07 | 179.4° | 180.0° |
| N02 | C11 | C10 | C08 | 179.4° | 180.0° |
| N02 | C11 | C09 | H04 | 0.6° | 0.1° |
| N02 | C11 | C10 | H05 | 0.6° | 0.0° |
| C11 | N02 | C18 | H11 | 180.0° | 60.0° |
| C11 | N02 | C18 | H09 | 60.0° | 180.0° |
| C11 | N02 | C18 | H10 | 60.0° | 60.0° |
| C26 | C25 | N03 | H24 | 119.4° | 120.0° |
| C26 | C25 | N03 | H23 | 119.4° | 120.0° |
| C26 | C25 | N03 | C24 | 105.5° | 180.0° |
| C26 | C25 | H24 | H23 | 121.8° | 120.0° |
| C25 | C26 | H26 | H25 | 118.3° | 120.0° |
| C26 | C25 | N03 | H22 | 74.5° | 0.0° |
| C11 | C09 | C07 | H04 | 180.0° | 179.9° |
| C09 | C11 | C10 | C08 | 2.3° | 0.0° |
| C11 | C09 | C07 | C06 | 1.0° | 0.0° |
| C11 | C09 | C07 | H03 | 179.0° | 179.9° |
| C09 | C11 | C10 | H05 | 177.7° | 180.0° |
| C09 | C11 | N02 | H20 | 138.4° | 179.9° |
| C10 | C11 | C09 | C07 | 2.3° | 0.0° |
| C11 | C10 | C08 | H05 | 180.0° | 180.0° |
| C11 | C10 | C08 | C06 | 1.1° | 0.0° |
| C11 | C10 | C08 | SI01 | 177.5° | 180.0° |
| C10 | C11 | C09 | H04 | 177.7° | 179.9° |
| C10 | C11 | N02 | H20 | 38.6° | 0.0° |
| C09 | C07 | C06 | H03 | 180.0° | 180.0° |
| C09 | C07 | C06 | C08 | 0.3° | 0.0° |
| C09 | C07 | C06 | C01 | 178.6° | 180.0° |
| C25 | N03 | C24 | H22 | 180.0° | 179.9° |
| C25 | N03 | C24 | O02 | 0.3° | 0.1° |
| C25 | N03 | C24 | C23 | 175.3° | 180.0° |
| N03 | C25 | H24 | H23 | 121.8° | 120.0° |
| N03 | C25 | C26 | H26 | 29.0° | 175.0° |
| N03 | C25 | C26 | H25 | 89.9° | 55.0° |
| C10 | C08 | C06 | C07 | 0.3° | 0.0° |
| C10 | C08 | C06 | SI01 | 178.5° | 180.0° |
| C10 | C08 | C06 | C01 | 178.5° | 180.0° |
| C10 | C08 | SI01 | C19 | 53.2° | 59.5° |
| C10 | C08 | SI01 | C20 | 71.3° | 59.6° |
| C10 | C08 | SI01 | C14 | 171.7° | 179.8° |
| N03 | C24 | O02 | C23 | 175.6° | 180.0° |
| N03 | C24 | C23 | C05 | 160.5° | 180.0° |
| N03 | C24 | C23 | C22 | 12.0° | 0.2° |
| C24 | N03 | C25 | H24 | 135.2° | 60.0° |
| C24 | N03 | C25 | H23 | 13.9° | 60.0° |
| C07 | C06 | C08 | C01 | 178.2° | 179.9° |
| C07 | C06 | C08 | SI01 | 178.8° | 180.0° |
| C07 | C06 | C01 | C03 | 17.7° | 0.3° |
| C07 | C06 | C01 | C12 | 168.3° | 180.0° |
| C06 | C07 | C09 | H04 | 179.0° | 179.9° |
| O02 | C24 | C23 | C05 | 15.1° | 0.0° |
| O02 | C24 | C23 | C22 | 172.4° | 179.7° |
| O02 | C24 | N03 | H22 | 179.7° | 180.0° |
| C24 | C23 | C05 | C22 | 173.0° | 179.7° |
| C24 | C23 | C05 | C03 | 176.9° | 180.0° |
| C24 | C23 | C22 | C04 | 176.4° | 180.0° |
| C24 | C23 | C05 | H02 | 3.0° | 0.0° |
| C24 | C23 | C22 | H21 | 3.7° | 0.0° |
| C23 | C24 | N03 | H22 | 4.7° | 0.0° |
| C06 | C08 | SI01 | C19 | 128.2° | 120.6° |
| C06 | C08 | SI01 | C20 | 107.3° | 120.4° |
| C06 | C08 | SI01 | C14 | 9.8° | 0.2° |
| C08 | C06 | C01 | C03 | 160.5° | 179.8° |
| C08 | C06 | C01 | C12 | 10.0° | 0.0° |
| C08 | C06 | C07 | H03 | 179.7° | 180.0° |
| C06 | C08 | C10 | H05 | 178.9° | 180.0° |
| SI01 | C08 | C06 | C01 | 3.0° | 0.1° |
| C08 | SI01 | C19 | C20 | 121.6° | 119.0° |
| C08 | SI01 | C19 | C14 | 115.3° | 121.9° |
| C08 | SI01 | C20 | C14 | 113.0° | 122.0° |
| C08 | SI01 | C14 | C12 | 6.4° | 0.4° |
| C08 | SI01 | C14 | C16 | 170.1° | 180.0° |
| SI01 | C08 | C10 | H05 | 2.5° | 0.0° |
| C08 | SI01 | C19 | H14 | 180.0° | 60.0° |
| C08 | SI01 | C19 | H15 | 60.0° | 180.0° |
| C08 | SI01 | C19 | H16 | 60.0° | 60.0° |
| C08 | SI01 | C20 | H18 | 180.0° | 60.0° |
| C08 | SI01 | C20 | H17 | 60.0° | 180.0° |
| C08 | SI01 | C20 | H19 | 60.0° | 60.0° |
| C06 | C01 | C03 | C05 | 66.7° | 75.2° |
| C06 | C01 | C03 | C12 | 153.5° | 179.8° |
| C06 | C01 | C03 | C02 | 110.8° | 104.8° |
| C06 | C01 | C12 | C14 | 13.9° | 0.2° |
| C06 | C01 | C12 | C13 | 168.7° | 179.7° |
| C01 | C06 | C07 | H03 | 1.3° | 0.0° |
| C23 | C05 | C03 | H02 | 180.0° | 179.9° |
| C05 | C23 | C22 | C04 | 3.9° | 0.3° |
| C23 | C05 | C03 | C01 | 179.7° | 179.9° |
| C23 | C05 | C03 | C02 | 2.2° | 0.0° |
| C05 | C23 | C22 | H21 | 176.2° | 179.7° |
| C22 | C23 | C05 | C03 | 3.9° | 0.3° |
| C23 | C22 | C04 | H21 | 180.0° | 180.0° |
| C23 | C22 | C04 | C02 | 2.0° | 0.1° |
| C23 | C22 | C04 | H01 | 178.0° | 180.0° |
| C22 | C23 | C05 | H02 | 176.1° | 179.8° |
| C05 | C03 | C01 | C02 | 177.5° | 180.0° |
| C05 | C03 | C01 | C12 | 86.7° | 105.0° |
| C05 | C03 | C02 | C04 | 0.2° | 0.2° |
| C05 | C03 | C02 | C21 | 179.2° | 180.0° |
| C19 | SI01 | C20 | C14 | 122.7° | 119.0° |
| C19 | SI01 | C14 | C12 | 126.8° | 120.8° |
| C19 | SI01 | C14 | C16 | 49.7° | 59.6° |
| SI01 | C19 | H14 | H15 | 120.0° | 120.0° |
| SI01 | C19 | H14 | H16 | 120.0° | 120.1° |
| SI01 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | SI01 | C20 | H18 | 55.7° | 179.1° |
| C19 | SI01 | C20 | H17 | 64.3° | 61.0° |
| C19 | SI01 | C20 | H19 | 175.7° | 59.0° |
| C22 | C04 | C02 | C03 | 0.2° | 0.2° |
| C22 | C04 | C02 | H01 | 180.0° | 179.9° |
| C22 | C04 | C02 | C21 | 179.2° | 180.0° |
| C20 | SI01 | C14 | C12 | 108.7° | 120.2° |
| C20 | SI01 | C14 | C16 | 74.8° | 59.5° |
| C20 | SI01 | C19 | H14 | 58.4° | 59.0° |
| C20 | SI01 | C19 | H15 | 178.4° | 60.9° |
| C20 | SI01 | C19 | H16 | 61.6° | 179.1° |
| SI01 | C20 | H18 | H17 | 120.0° | 120.0° |
| SI01 | C20 | H18 | H19 | 120.0° | 120.0° |
| SI01 | C20 | H17 | H19 | 120.0° | 120.0° |
| SI01 | C14 | C12 | C01 | 4.1° | 0.4° |
| SI01 | C14 | C12 | C16 | 176.4° | 179.6° |
| SI01 | C14 | C12 | C13 | 178.5° | 179.6° |
| SI01 | C14 | C16 | C17 | 178.5° | 179.5° |
| SI01 | C14 | C16 | H08 | 1.5° | 0.4° |
| C14 | SI01 | C19 | H14 | 64.7° | 178.1° |
| C14 | SI01 | C19 | H15 | 55.3° | 58.2° |
| C14 | SI01 | C19 | H16 | 175.2° | 61.8° |
| C14 | SI01 | C20 | H18 | 67.0° | 62.0° |
| C14 | SI01 | C20 | H17 | 173.0° | 58.0° |
| C14 | SI01 | C20 | H19 | 53.0° | 178.0° |
| C01 | C03 | C02 | C04 | 177.5° | 179.8° |
| C01 | C03 | C02 | C21 | 1.9° | 0.0° |
| C03 | C01 | C12 | C14 | 163.9° | 180.0° |
| C03 | C01 | C12 | C13 | 18.7° | 0.0° |
| C01 | C03 | C05 | H02 | 0.3° | 0.0° |
| C02 | C03 | C01 | C12 | 95.8° | 75.0° |
| C03 | C02 | C04 | C21 | 179.4° | 179.8° |
| C03 | C02 | C21 | O01 | 10.0° | 0.1° |
| C03 | C02 | C21 | N04 | 170.0° | 180.0° |
| C03 | C02 | C04 | H01 | 179.8° | 179.8° |
| C02 | C03 | C05 | H02 | 177.8° | 180.0° |
| C01 | C12 | C14 | C13 | 177.4° | 180.0° |
| C01 | C12 | C14 | C16 | 179.6° | 180.0° |
| C01 | C12 | C13 | C15 | 179.1° | 180.0° |
| C01 | C12 | C13 | H06 | 0.9° | 0.0° |
| C04 | C02 | C21 | O01 | 169.4° | 179.7° |
| C04 | C02 | C21 | N04 | 10.7° | 0.2° |
| C02 | C04 | C22 | H21 | 178.0° | 180.0° |
| C02 | C21 | O01 | N04 | 179.9° | 180.0° |
| C02 | C21 | N04 | C35 | 0.1° | 180.0° |
| C21 | C02 | C04 | H01 | 0.8° | 0.0° |
| C02 | C21 | N04 | H43 | 179.9° | 0.0° |
| C14 | C12 | C13 | C15 | 1.5° | 0.0° |
| C12 | C14 | C16 | C17 | 2.0° | 0.1° |
| C14 | C12 | C13 | H06 | 178.4° | 180.0° |
| C12 | C14 | C16 | H08 | 178.0° | 180.0° |
| C13 | C12 | C14 | C16 | 2.2° | 0.1° |
| C12 | C13 | C15 | H06 | 180.0° | 179.9° |
| C12 | C13 | C15 | C17 | 0.7° | 0.0° |
| C12 | C13 | C15 | H07 | 179.3° | 180.0° |
| O01 | C21 | N04 | C35 | 180.0° | 0.0° |
| O01 | C21 | N04 | H43 | 0.0° | 180.0° |
| C21 | N04 | C35 | H43 | 180.0° | 179.9° |
| C21 | N04 | C35 | N05 | 146.0° | 41.2° |
| C14 | C16 | C17 | H08 | 180.0° | 179.9° |
| C14 | C16 | C17 | C15 | 1.0° | 0.1° |
| C14 | C16 | C17 | N01 | 179.1° | 179.9° |
| N05 | C35 | N04 | H43 | 34.0° | 138.8° |
| C13 | C15 | C17 | C16 | 0.4° | 0.0° |
| C13 | C15 | C17 | H07 | 180.0° | 180.0° |
| C13 | C15 | C17 | N01 | 179.7° | 180.0° |
| C16 | C17 | C15 | N01 | 179.9° | 180.0° |
| C16 | C17 | C15 | H07 | 179.6° | 180.0° |
| C16 | C17 | N01 | H12 | 180.0° | 180.0° |
| C16 | C17 | N01 | H13 | 60.0° | 0.0° |
| C17 | C15 | C13 | H06 | 179.3° | 180.0° |
| C15 | C17 | C16 | H08 | 179.0° | 180.0° |
| C15 | C17 | N01 | H12 | 0.1° | 0.0° |
| C15 | C17 | N01 | H13 | 119.9° | 180.0° |
| N01 | C17 | C15 | H07 | 0.3° | 0.0° |
| N01 | C17 | C16 | H08 | 0.9° | 0.0° |
| C17 | N01 | H12 | H13 | 120.0° | 180.0° |
| H01 | C04 | C22 | H21 | 2.0° | 0.0° |
| H03 | C07 | C09 | H04 | 1.0° | 0.1° |
| H06 | C13 | C15 | H07 | 0.7° | 0.1° |
| H11 | C18 | H09 | H10 | 120.0° | 120.0° |
| H11 | C18 | N02 | H20 | 0.0° | 119.9° |
| H09 | C18 | N02 | H20 | 120.0° | 0.0° |
| H10 | C18 | N02 | H20 | 120.0° | 120.1° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H18 | C20 | H17 | H19 | 120.0° | 120.0° |
| H24 | C25 | C26 | H26 | 148.4° | 55.0° |
| H24 | C25 | C26 | H25 | 29.5° | 65.0° |
| H24 | C25 | N03 | H22 | 44.9° | 120.0° |
| H23 | C25 | C26 | H26 | 90.4° | 65.0° |
| H23 | C25 | C26 | H25 | 150.7° | 175.0° |
| H23 | C25 | N03 | H22 | 166.1° | 120.0° |
| H27 | C27 | C28 | H29 | 155.5° | 55.0° |
| H27 | C27 | C28 | H30 | 35.8° | 65.0° |
| H28 | C27 | C28 | H29 | 85.7° | 65.0° |
| H28 | C27 | C28 | H30 | 154.6° | 175.1° |
| H31 | C29 | C30 | H33 | 65.9° | 59.9° |
| H31 | C29 | C30 | H34 | 174.4° | 180.0° |
| H32 | C29 | C30 | H33 | 53.6° | 180.0° |
| H32 | C29 | C30 | H34 | 66.2° | 60.0° |
| H33 | C30 | C31 | H36 | 166.1° | 180.0° |
| H33 | C30 | C31 | H35 | 74.4° | 59.9° |
| H34 | C30 | C31 | H36 | 46.4° | 60.0° |
| H34 | C30 | C31 | H35 | 165.8° | 180.0° |
| H36 | C31 | C32 | H37 | 176.4° | 180.0° |
| H36 | C31 | C32 | H38 | 64.3° | 60.1° |
| H35 | C31 | C32 | H37 | 57.0° | 60.0° |
| H35 | C31 | C32 | H38 | 176.2° | 179.9° |
| H37 | C32 | C33 | H40 | 161.2° | 180.0° |
| H37 | C32 | C33 | H39 | 77.3° | 60.1° |
| H38 | C32 | C33 | H40 | 41.9° | 60.1° |
| H38 | C32 | C33 | H39 | 163.4° | 180.0° |
| H40 | C33 | C34 | H41 | 43.0° | 180.0° |
| H40 | C33 | C34 | H42 | 72.2° | 60.0° |
| H40 | C33 | C34 | CL1 | 165.4° | 60.0° |
| H39 | C33 | C34 | H41 | 78.5° | 60.1° |
| H39 | C33 | C34 | H42 | 166.3° | 179.9° |
| H39 | C33 | C34 | CL1 | 43.9° | 59.9° |
| H41 | C34 | H42 | CL1 | 112.0° | 119.9° |
