UEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | N06 | sing | 1.47Å | 1.30Å | |
| C07 | N06 | sing | 1.47Å | 1.36Å | |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C02 | sing | 1.53Å | 1.54Å | |
| N06 | C05 | sing | 1.47Å | 1.32Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C08 | C40 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | C39 | sing | 1.41Å | 1.44Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.51Å | 1.56Å | |
| C28 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C27 | N26 | sing | 1.47Å | 1.50Å | |
| C09 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C39 | C38 | doub | 1.41Å | 1.41Å | Aromatic |
| C39 | C11 | sing | 1.42Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.36Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C18 | N20 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| N26 | C25 | sing | 1.39Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C34 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C21 | sing | 1.39Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C12 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.39Å | 1.49Å | |
| N20 | C21 | sing | 1.39Å | 1.48Å | |
| N20 | C19 | sing | 1.47Å | 1.45Å | |
| C25 | N24 | sing | 1.33Å | 1.32Å | Aromatic |
| C21 | N22 | doub | 1.33Å | 1.33Å | Aromatic |
| C19 | C15 | sing | 1.53Å | 1.55Å | |
| N13 | C14 | sing | 1.46Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.58Å | |
| C15 | O35 | sing | 1.43Å | 1.38Å | |
| N24 | C23 | doub | 1.32Å | 1.37Å | Aromatic |
| N22 | C23 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| N13 | H43 | sing | 0.97Å | 1.00Å | |
| N26 | H44 | sing | 0.97Å | 1.00Å | |
| O35 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C41 | N06 | 110.6° | 109.6° |
| C41 | C42 | C02 | 109.2° | 109.3° |
| C42 | C41 | H38 | 109.2° | 109.5° |
| C42 | C41 | H39 | 109.2° | 109.5° |
| C41 | C42 | H40 | 109.6° | 109.5° |
| C41 | C42 | H41 | 109.6° | 109.5° |
| C41 | N06 | C07 | 110.2° | 111.0° |
| C41 | N06 | C05 | 110.2° | 111.2° |
| N06 | C41 | H38 | 109.2° | 109.4° |
| N06 | C41 | H39 | 109.2° | 109.5° |
| N06 | C07 | C08 | 110.7° | 109.4° |
| C07 | N06 | C05 | 110.8° | 111.0° |
| N06 | C07 | H14 | 109.1° | 109.5° |
| N06 | C07 | H15 | 109.2° | 109.5° |
| C07 | C08 | C40 | 121.7° | 119.5° |
| C07 | C08 | C09 | 119.8° | 119.5° |
| C08 | C07 | H14 | 109.2° | 109.5° |
| C08 | C07 | H15 | 109.2° | 109.4° |
| C29 | C30 | C31 | 120.1° | 120.0° |
| C30 | C29 | C28 | 119.6° | 120.0° |
| C30 | C29 | H28 | 120.2° | 120.0° |
| C29 | C30 | H29 | 119.9° | 120.0° |
| C30 | C31 | C32 | 120.4° | 120.0° |
| C31 | C30 | H29 | 119.9° | 120.0° |
| C30 | C31 | H30 | 119.8° | 120.0° |
| C29 | C28 | C27 | 119.1° | 120.0° |
| C29 | C28 | C33 | 120.3° | 120.0° |
| C28 | C29 | H28 | 120.2° | 120.0° |
| C42 | C02 | C01 | 110.0° | 109.5° |
| C42 | C02 | C04 | 109.9° | 109.1° |
| C42 | C02 | C03 | 109.0° | 109.6° |
| C02 | C42 | H40 | 109.6° | 109.5° |
| C02 | C42 | H41 | 109.5° | 109.5° |
| N06 | C05 | C04 | 113.4° | 109.5° |
| N06 | C05 | H12 | 108.5° | 109.5° |
| N06 | C05 | H13 | 108.5° | 109.4° |
| C01 | C02 | C04 | 106.8° | 109.5° |
| C01 | C02 | C03 | 112.4° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C40 | C08 | C09 | 118.5° | 121.0° |
| C08 | C40 | C39 | 120.0° | 119.7° |
| C08 | C40 | H37 | 120.0° | 120.1° |
| C08 | C09 | C10 | 121.6° | 121.0° |
| C08 | C09 | H16 | 119.2° | 119.5° |
| C40 | C39 | C38 | 118.9° | 121.2° |
| C40 | C39 | C11 | 120.8° | 119.3° |
| C39 | C40 | H37 | 120.0° | 120.2° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C32 | C31 | H30 | 119.8° | 120.0° |
| C31 | C32 | H31 | 120.1° | 120.0° |
| C05 | C04 | C02 | 106.9° | 109.3° |
| C05 | C04 | H10 | 110.1° | 109.5° |
| C05 | C04 | H11 | 110.1° | 109.5° |
| C04 | C05 | H12 | 108.5° | 109.5° |
| C04 | C05 | H13 | 108.5° | 109.4° |
| C27 | C28 | C33 | 120.6° | 120.0° |
| C28 | C27 | N26 | 114.4° | 109.5° |
| C28 | C27 | H26 | 108.2° | 109.5° |
| C28 | C27 | H27 | 108.2° | 109.5° |
| C28 | C33 | C32 | 119.8° | 120.0° |
| C28 | C33 | H32 | 120.1° | 120.0° |
| C04 | C02 | C03 | 108.6° | 109.5° |
| C02 | C04 | H10 | 110.1° | 109.5° |
| C02 | C04 | H11 | 110.1° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.4° | 109.4° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C27 | N26 | C25 | 120.4° | 120.0° |
| N26 | C27 | H26 | 108.2° | 109.4° |
| N26 | C27 | H27 | 108.2° | 109.4° |
| C27 | N26 | H44 | 106.7° | 120.0° |
| C09 | C10 | C11 | 119.3° | 119.7° |
| C09 | C10 | H1 | 120.3° | 120.2° |
| C10 | C09 | H16 | 119.2° | 119.5° |
| C38 | C39 | C11 | 120.3° | 119.5° |
| C39 | C38 | C37 | 119.6° | 119.9° |
| C39 | C38 | H36 | 120.2° | 120.0° |
| C39 | C11 | C10 | 119.8° | 119.4° |
| C39 | C11 | C12 | 119.6° | 119.3° |
| C38 | C37 | C36 | 120.1° | 121.1° |
| C38 | C37 | H35 | 119.9° | 119.4° |
| C37 | C38 | H36 | 120.2° | 120.1° |
| C33 | C32 | H31 | 120.1° | 120.0° |
| C32 | C33 | H32 | 120.1° | 120.0° |
| C17 | C18 | N20 | 109.2° | 109.5° |
| C18 | C17 | C16 | 113.0° | 109.2° |
| C18 | C17 | H2 | 108.6° | 109.6° |
| C18 | C17 | H3 | 108.6° | 109.6° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C18 | N20 | C21 | 118.1° | 111.0° |
| C18 | N20 | C19 | 119.5° | 111.2° |
| N20 | C18 | H21 | 109.5° | 109.5° |
| N20 | C18 | H22 | 109.6° | 109.4° |
| C10 | C11 | C12 | 120.7° | 121.3° |
| C11 | C10 | H1 | 120.3° | 120.2° |
| C11 | C12 | C36 | 119.5° | 119.4° |
| C11 | C12 | N13 | 121.7° | 120.3° |
| C37 | C36 | C12 | 120.9° | 120.7° |
| C37 | C36 | H34 | 119.6° | 119.6° |
| C36 | C37 | H35 | 120.0° | 119.5° |
| N26 | C25 | C34 | 118.9° | 120.5° |
| N26 | C25 | N24 | 120.8° | 120.5° |
| C25 | N26 | H44 | 106.7° | 119.9° |
| C17 | C16 | C15 | 111.0° | 109.1° |
| C16 | C17 | H2 | 108.6° | 109.5° |
| C16 | C17 | H3 | 108.6° | 109.4° |
| C17 | C16 | H19 | 109.1° | 109.5° |
| C17 | C16 | H20 | 109.1° | 109.5° |
| C25 | C34 | C21 | 119.9° | 118.3° |
| C34 | C25 | N24 | 120.3° | 119.0° |
| C25 | C34 | H33 | 120.0° | 120.9° |
| C34 | C21 | N20 | 118.0° | 120.5° |
| C34 | C21 | N22 | 120.0° | 119.0° |
| C21 | C34 | H33 | 120.1° | 120.8° |
| C16 | C15 | C19 | 108.3° | 109.3° |
| C16 | C15 | C14 | 110.3° | 109.5° |
| C16 | C15 | O35 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.1° | 109.5° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C36 | C12 | N13 | 118.8° | 120.3° |
| C12 | C36 | H34 | 119.6° | 119.7° |
| C12 | N13 | C14 | 118.5° | 120.0° |
| C12 | N13 | H43 | 107.2° | 120.0° |
| C21 | N20 | C19 | 122.1° | 111.0° |
| N20 | C21 | N22 | 122.0° | 120.5° |
| N20 | C19 | C15 | 109.8° | 109.5° |
| N20 | C19 | H23 | 109.4° | 109.5° |
| N20 | C19 | H24 | 109.4° | 109.5° |
| C25 | N24 | C23 | 119.0° | 120.9° |
| C21 | N22 | C23 | 120.1° | 120.9° |
| C19 | C15 | C14 | 111.7° | 109.5° |
| C19 | C15 | O35 | 109.3° | 109.5° |
| C15 | C19 | H23 | 109.4° | 109.5° |
| C15 | C19 | H24 | 109.4° | 109.5° |
| N13 | C14 | C15 | 112.1° | 109.5° |
| N13 | C14 | H17 | 108.8° | 109.5° |
| N13 | C14 | H18 | 108.8° | 109.5° |
| C14 | N13 | H43 | 107.2° | 120.0° |
| C14 | C15 | O35 | 107.8° | 109.5° |
| C15 | C14 | H17 | 108.8° | 109.4° |
| C15 | C14 | H18 | 108.8° | 109.5° |
| C15 | O35 | H45 | 109.5° | 114.0° |
| N24 | C23 | N22 | 120.7° | 121.9° |
| N24 | C23 | H25 | 119.7° | 119.0° |
| N22 | C23 | H25 | 119.6° | 119.1° |
| H2 | C17 | H3 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H7 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.6° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H38 | C41 | H39 | 109.4° | 109.4° |
| H40 | C42 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C41 | N06 | H38 | 120.2° | 120.1° |
| C42 | C41 | N06 | H39 | 120.2° | 120.1° |
| C42 | C41 | N06 | C07 | 168.8° | 174.2° |
| C41 | C42 | C02 | H40 | 120.0° | 120.0° |
| C41 | C42 | C02 | H41 | 120.0° | 119.9° |
| C42 | C41 | N06 | C05 | 68.6° | 61.8° |
| C41 | C42 | C02 | C01 | 70.2° | 62.2° |
| C41 | C42 | C02 | C04 | 47.2° | 57.6° |
| C41 | C42 | C02 | C03 | 166.1° | 177.6° |
| C42 | C41 | H38 | H39 | 119.5° | 120.0° |
| C41 | C42 | H40 | H41 | 120.2° | 120.1° |
| C41 | N06 | C07 | C05 | 122.3° | 124.1° |
| C41 | N06 | C07 | C08 | 176.6° | 170.0° |
| N06 | C41 | C42 | C02 | 57.7° | 59.2° |
| C41 | N06 | C05 | C04 | 70.4° | 61.7° |
| C41 | N06 | C05 | H12 | 169.0° | 58.3° |
| C41 | N06 | C05 | H13 | 50.2° | 178.3° |
| C41 | N06 | C07 | H14 | 63.2° | 69.9° |
| C41 | N06 | C07 | H15 | 56.4° | 50.1° |
| N06 | C41 | H38 | H39 | 119.5° | 119.9° |
| N06 | C41 | C42 | H40 | 177.7° | 60.8° |
| N06 | C41 | C42 | H41 | 62.2° | 179.2° |
| N06 | C07 | C08 | H14 | 120.2° | 120.1° |
| N06 | C07 | C08 | H15 | 120.2° | 120.0° |
| N06 | C07 | C08 | C40 | 106.6° | 90.0° |
| N06 | C07 | C08 | C09 | 72.1° | 89.3° |
| C07 | N06 | C05 | C04 | 167.3° | 174.2° |
| C07 | N06 | C05 | H12 | 46.7° | 65.8° |
| C07 | N06 | C05 | H13 | 72.1° | 54.3° |
| N06 | C07 | H14 | H15 | 119.4° | 120.0° |
| C07 | N06 | C41 | H38 | 48.6° | 54.1° |
| C07 | N06 | C41 | H39 | 71.0° | 65.7° |
| C08 | C07 | N06 | C05 | 54.3° | 65.9° |
| C07 | C08 | C40 | C09 | 178.7° | 179.3° |
| C07 | C08 | C40 | C39 | 178.8° | 180.0° |
| C07 | C08 | C09 | C10 | 178.5° | 179.7° |
| C08 | C07 | H14 | H15 | 119.4° | 120.0° |
| C07 | C08 | C09 | H16 | 1.5° | 0.2° |
| C07 | C08 | C40 | H37 | 1.2° | 0.7° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C30 | C29 | C28 | H28 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C30 | C29 | C28 | C27 | 179.9° | 180.0° |
| C30 | C29 | C28 | C33 | 0.0° | 0.3° |
| C29 | C30 | C31 | H30 | 179.8° | 179.9° |
| C31 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C31 | C32 | H30 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.2° | 0.2° |
| C31 | C30 | C29 | H28 | 179.7° | 180.0° |
| C30 | C31 | C32 | H31 | 179.8° | 180.0° |
| C29 | C28 | C27 | C33 | 179.9° | 179.7° |
| C29 | C28 | C27 | N26 | 176.2° | 89.7° |
| C29 | C28 | C33 | C32 | 0.4° | 0.6° |
| C29 | C28 | C27 | H26 | 63.1° | 30.3° |
| C29 | C28 | C27 | H27 | 55.5° | 150.3° |
| C28 | C29 | C30 | H29 | 179.7° | 179.9° |
| C29 | C28 | C33 | H32 | 179.6° | 179.7° |
| C42 | C02 | C01 | C04 | 119.3° | 119.6° |
| C42 | C02 | C01 | C03 | 121.7° | 120.2° |
| C42 | C02 | C04 | C05 | 46.1° | 57.7° |
| C42 | C02 | C04 | C03 | 119.2° | 120.0° |
| C42 | C02 | C01 | H4 | 180.0° | 59.7° |
| C42 | C02 | C01 | H5 | 60.0° | 60.4° |
| C42 | C02 | C01 | H6 | 60.0° | 179.7° |
| C42 | C02 | C03 | H7 | 180.0° | 60.1° |
| C42 | C02 | C03 | H8 | 60.0° | 59.8° |
| C42 | C02 | C03 | H9 | 60.0° | 179.8° |
| C42 | C02 | C04 | H10 | 73.5° | 177.6° |
| C42 | C02 | C04 | H11 | 165.6° | 62.3° |
| C02 | C42 | C41 | H38 | 177.9° | 179.2° |
| C02 | C42 | C41 | H39 | 62.4° | 60.9° |
| C02 | C42 | H40 | H41 | 120.1° | 120.1° |
| N06 | C05 | C04 | H12 | 120.6° | 120.1° |
| N06 | C05 | C04 | H13 | 120.6° | 119.9° |
| N06 | C05 | C04 | C02 | 57.3° | 59.2° |
| N06 | C05 | C04 | H10 | 62.2° | 179.1° |
| N06 | C05 | C04 | H11 | 176.9° | 60.8° |
| N06 | C05 | H12 | H13 | 118.2° | 120.0° |
| C05 | N06 | C07 | H14 | 174.5° | 54.2° |
| C05 | N06 | C07 | H15 | 65.9° | 174.2° |
| C05 | N06 | C41 | H38 | 171.2° | 178.2° |
| C05 | N06 | C41 | H39 | 51.6° | 58.3° |
| C01 | C02 | C04 | C05 | 73.3° | 62.2° |
| C01 | C02 | C04 | C03 | 121.5° | 120.2° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C01 | C02 | C03 | H7 | 57.8° | 60.0° |
| C01 | C02 | C03 | H8 | 62.2° | 179.9° |
| C01 | C02 | C03 | H9 | 177.8° | 60.0° |
| C01 | C02 | C04 | H10 | 167.2° | 57.7° |
| C01 | C02 | C04 | H11 | 46.3° | 177.8° |
| C01 | C02 | C42 | H40 | 49.8° | 177.8° |
| C01 | C02 | C42 | H41 | 169.8° | 57.7° |
| C08 | C40 | C39 | H37 | 180.0° | 179.3° |
| C40 | C08 | C09 | C10 | 0.3° | 0.5° |
| C08 | C40 | C39 | C38 | 179.6° | 179.5° |
| C08 | C40 | C39 | C11 | 0.3° | 0.5° |
| C40 | C08 | C07 | H14 | 133.2° | 150.0° |
| C40 | C08 | C07 | H15 | 13.6° | 30.0° |
| C40 | C08 | C09 | H16 | 179.7° | 179.5° |
| C09 | C08 | C40 | C39 | 0.0° | 0.7° |
| C08 | C09 | C10 | H16 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.4° | 0.1° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | C07 | H14 | 48.0° | 30.8° |
| C09 | C08 | C07 | H15 | 167.7° | 150.7° |
| C09 | C08 | C40 | H37 | 179.9° | 180.0° |
| C40 | C39 | C38 | C11 | 179.9° | 180.0° |
| C40 | C39 | C38 | C37 | 179.9° | 180.0° |
| C40 | C39 | C11 | C10 | 0.2° | 0.0° |
| C40 | C39 | C11 | C12 | 179.3° | 180.0° |
| C40 | C39 | C38 | H36 | 0.1° | 0.0° |
| C31 | C32 | C33 | C28 | 0.5° | 0.5° |
| C31 | C32 | C33 | H31 | 180.0° | 179.8° |
| C32 | C31 | C30 | H29 | 179.8° | 179.9° |
| C31 | C32 | C33 | H32 | 179.5° | 179.8° |
| C05 | C04 | C02 | H10 | 119.6° | 119.9° |
| C05 | C04 | C02 | H11 | 119.6° | 120.0° |
| C05 | C04 | C02 | C03 | 165.3° | 177.7° |
| C05 | C04 | H10 | H11 | 121.2° | 120.1° |
| C04 | C05 | H12 | H13 | 118.2° | 119.9° |
| C28 | C27 | N26 | H26 | 120.7° | 120.0° |
| C28 | C27 | N26 | H27 | 120.7° | 120.0° |
| C27 | C28 | C33 | C32 | 179.7° | 179.7° |
| C28 | C27 | N26 | C25 | 91.0° | 180.0° |
| C28 | C27 | H26 | H27 | 117.7° | 120.0° |
| C27 | C28 | C29 | H28 | 0.2° | 0.1° |
| C27 | C28 | C33 | H32 | 0.3° | 0.1° |
| C28 | C27 | N26 | H44 | 147.5° | 0.0° |
| C33 | C28 | C27 | N26 | 3.7° | 90.0° |
| C28 | C33 | C32 | H32 | 180.0° | 179.7° |
| C33 | C28 | C27 | H26 | 117.1° | 150.1° |
| C33 | C28 | C27 | H27 | 124.4° | 30.0° |
| C33 | C28 | C29 | H28 | 180.0° | 179.7° |
| C28 | C33 | C32 | H31 | 179.5° | 179.7° |
| C04 | C02 | C01 | H4 | 60.7° | 60.0° |
| C04 | C02 | C01 | H5 | 59.3° | 180.0° |
| C04 | C02 | C01 | H6 | 179.3° | 60.0° |
| C04 | C02 | C03 | H7 | 60.2° | 179.8° |
| C04 | C02 | C03 | H8 | 179.8° | 59.9° |
| C04 | C02 | C03 | H9 | 59.8° | 60.1° |
| C02 | C04 | H10 | H11 | 121.2° | 120.1° |
| C02 | C04 | C05 | H12 | 177.9° | 60.8° |
| C02 | C04 | C05 | H13 | 63.3° | 179.2° |
| C04 | C02 | C42 | H40 | 167.1° | 62.3° |
| C04 | C02 | C42 | H41 | 72.8° | 177.6° |
| C03 | C02 | C01 | H4 | 58.3° | 179.9° |
| C03 | C02 | C01 | H5 | 178.3° | 59.8° |
| C03 | C02 | C01 | H6 | 61.7° | 60.1° |
| C02 | C03 | H7 | H8 | 120.0° | 119.9° |
| C02 | C03 | H7 | H9 | 120.0° | 120.1° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | C02 | C04 | H10 | 45.7° | 62.5° |
| C03 | C02 | C04 | H11 | 75.1° | 57.7° |
| C03 | C02 | C42 | H40 | 73.9° | 57.6° |
| C03 | C02 | C42 | H41 | 46.2° | 62.5° |
| C27 | N26 | C25 | H44 | 121.5° | 180.0° |
| C27 | N26 | C25 | C34 | 2.1° | 0.0° |
| C27 | N26 | C25 | N24 | 177.3° | 180.0° |
| N26 | C27 | H26 | H27 | 117.7° | 120.0° |
| C09 | C10 | C11 | C39 | 0.1° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 178.9° | 179.8° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C38 | C39 | C11 | C10 | 179.7° | 180.0° |
| C38 | C39 | C11 | C12 | 0.7° | 0.1° |
| C39 | C38 | C37 | C36 | 0.3° | 0.1° |
| C39 | C38 | C37 | H35 | 179.7° | 180.0° |
| C38 | C39 | C40 | H37 | 0.4° | 0.2° |
| C11 | C39 | C38 | C37 | 0.0° | 0.1° |
| C39 | C11 | C10 | C12 | 179.1° | 179.9° |
| C39 | C11 | C12 | C36 | 1.1° | 0.1° |
| C39 | C11 | C12 | N13 | 179.3° | 180.0° |
| C39 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C39 | C38 | H36 | 180.0° | 179.9° |
| C11 | C39 | C40 | H37 | 179.7° | 179.7° |
| C38 | C37 | C36 | H35 | 180.0° | 180.0° |
| C38 | C37 | C36 | C12 | 0.2° | 0.1° |
| C38 | C37 | C36 | H34 | 179.8° | 180.0° |
| C33 | C32 | C31 | H30 | 179.8° | 179.8° |
| C17 | C18 | N20 | H21 | 119.9° | 120.0° |
| C17 | C18 | N20 | H22 | 120.0° | 120.0° |
| C18 | C17 | C16 | H2 | 120.5° | 120.0° |
| C18 | C17 | C16 | H3 | 120.5° | 120.0° |
| C18 | C17 | C16 | C15 | 54.9° | 57.6° |
| C17 | C18 | N20 | C21 | 124.4° | 174.1° |
| C17 | C18 | N20 | C19 | 49.8° | 61.8° |
| C18 | C17 | H2 | H3 | 118.4° | 120.2° |
| C18 | C17 | C16 | H19 | 175.1° | 177.5° |
| C18 | C17 | C16 | H20 | 65.4° | 62.2° |
| C17 | C18 | H21 | H22 | 120.1° | 120.0° |
| N20 | C18 | C17 | C16 | 47.6° | 59.2° |
| C18 | N20 | C21 | C34 | 26.5° | 56.3° |
| C18 | N20 | C21 | C19 | 174.0° | 124.2° |
| C18 | N20 | C21 | N22 | 153.5° | 123.9° |
| C18 | N20 | C19 | C15 | 55.6° | 61.8° |
| N20 | C18 | C17 | H2 | 72.9° | 60.8° |
| N20 | C18 | C17 | H3 | 168.1° | 179.1° |
| N20 | C18 | H21 | H22 | 120.2° | 119.9° |
| C18 | N20 | C19 | H23 | 64.5° | 58.2° |
| C18 | N20 | C19 | H24 | 175.6° | 178.2° |
| C10 | C11 | C12 | C36 | 179.9° | 180.0° |
| C10 | C11 | C12 | N13 | 0.2° | 0.1° |
| C11 | C10 | C09 | H16 | 179.6° | 180.0° |
| C11 | C12 | C36 | C37 | 0.8° | 0.1° |
| C11 | C12 | C36 | N13 | 179.6° | 179.9° |
| C11 | C12 | N13 | C14 | 173.8° | 180.0° |
| C12 | C11 | C10 | H1 | 1.0° | 0.1° |
| C11 | C12 | C36 | H34 | 179.1° | 180.0° |
| C11 | C12 | N13 | H43 | 64.9° | 0.1° |
| C37 | C36 | C12 | H34 | 180.0° | 180.0° |
| C37 | C36 | C12 | N13 | 179.5° | 180.0° |
| C36 | C37 | C38 | H36 | 179.7° | 179.9° |
| N26 | C25 | C34 | N24 | 179.3° | 179.9° |
| N26 | C25 | C34 | C21 | 179.4° | 180.0° |
| N26 | C25 | N24 | C23 | 179.3° | 180.0° |
| C25 | N26 | C27 | H26 | 29.8° | 60.0° |
| C25 | N26 | C27 | H27 | 148.3° | 60.0° |
| N26 | C25 | C34 | H33 | 0.6° | 0.1° |
| C17 | C16 | C15 | H19 | 120.2° | 119.9° |
| C17 | C16 | C15 | H20 | 120.2° | 119.9° |
| C17 | C16 | C15 | C19 | 58.0° | 57.7° |
| C17 | C16 | C15 | C14 | 179.5° | 62.3° |
| C17 | C16 | C15 | O35 | 61.1° | 177.7° |
| C16 | C17 | H2 | H3 | 118.4° | 120.0° |
| C17 | C16 | H19 | H20 | 119.3° | 120.2° |
| C16 | C17 | C18 | H21 | 72.3° | 179.2° |
| C16 | C17 | C18 | H22 | 167.6° | 60.8° |
| C25 | C34 | C21 | H33 | 180.0° | 180.0° |
| C25 | C34 | C21 | N20 | 179.8° | 179.8° |
| C25 | C34 | C21 | N22 | 0.2° | 0.0° |
| C34 | C25 | N24 | C23 | 0.0° | 0.0° |
| C34 | C25 | N26 | H44 | 119.4° | 180.0° |
| C34 | C21 | N20 | N22 | 180.0° | 179.8° |
| C34 | C21 | N20 | C19 | 159.5° | 179.5° |
| C21 | C34 | C25 | N24 | 0.1° | 0.0° |
| C34 | C21 | N22 | C23 | 0.1° | 0.1° |
| C16 | C15 | C19 | N20 | 55.9° | 59.2° |
| C16 | C15 | C19 | C14 | 121.7° | 120.0° |
| C16 | C15 | C19 | O35 | 119.2° | 120.0° |
| C16 | C15 | C14 | N13 | 73.5° | 55.0° |
| C16 | C15 | C14 | O35 | 119.5° | 120.0° |
| C15 | C16 | C17 | H2 | 65.7° | 62.3° |
| C15 | C16 | C17 | H3 | 175.4° | 177.6° |
| C16 | C15 | C14 | H17 | 46.9° | 65.0° |
| C16 | C15 | C14 | H18 | 166.1° | 175.1° |
| C15 | C16 | H19 | H20 | 119.3° | 120.2° |
| C16 | C15 | C19 | H23 | 64.2° | 60.8° |
| C16 | C15 | C19 | H24 | 175.9° | 179.2° |
| C16 | C15 | O35 | H45 | 180.0° | 60.0° |
| C36 | C12 | N13 | C14 | 6.6° | 0.1° |
| C12 | C36 | C37 | H35 | 179.8° | 180.0° |
| C36 | C12 | N13 | H43 | 114.7° | 180.0° |
| C12 | N13 | C14 | H43 | 121.3° | 179.9° |
| C12 | N13 | C14 | C15 | 95.2° | 180.0° |
| C12 | N13 | C14 | H17 | 25.2° | 60.1° |
| C12 | N13 | C14 | H18 | 144.4° | 59.9° |
| N13 | C12 | C36 | H34 | 0.5° | 0.1° |
| C21 | N20 | C19 | C15 | 118.3° | 174.1° |
| N20 | C21 | N22 | C23 | 179.9° | 179.7° |
| C21 | N20 | C18 | H21 | 115.7° | 54.1° |
| C21 | N20 | C18 | H22 | 4.5° | 65.9° |
| C21 | N20 | C19 | H23 | 121.6° | 65.9° |
| C21 | N20 | C19 | H24 | 1.7° | 54.1° |
| N20 | C21 | C34 | H33 | 0.2° | 0.2° |
| C19 | N20 | C21 | N22 | 20.5° | 0.3° |
| N20 | C19 | C15 | H23 | 120.0° | 120.0° |
| N20 | C19 | C15 | H24 | 120.1° | 120.0° |
| N20 | C19 | C15 | C14 | 177.5° | 60.7° |
| N20 | C19 | C15 | O35 | 63.3° | 179.2° |
| C19 | N20 | C18 | H21 | 70.2° | 178.2° |
| C19 | N20 | C18 | H22 | 169.7° | 58.2° |
| N20 | C19 | H23 | H24 | 119.8° | 120.0° |
| C25 | N24 | C23 | N22 | 0.0° | 0.0° |
| C25 | N24 | C23 | H25 | 180.0° | 179.9° |
| N24 | C25 | C34 | H33 | 179.9° | 180.0° |
| N24 | C25 | N26 | H44 | 61.2° | 0.0° |
| C21 | N22 | C23 | N24 | 0.1° | 0.1° |
| C21 | N22 | C23 | H25 | 180.0° | 180.0° |
| N22 | C21 | C34 | H33 | 179.8° | 180.0° |
| C19 | C15 | C14 | N13 | 47.0° | 174.9° |
| C19 | C15 | C14 | O35 | 120.1° | 120.1° |
| C19 | C15 | C14 | H17 | 167.3° | 54.9° |
| C19 | C15 | C14 | H18 | 73.4° | 65.1° |
| C19 | C15 | C16 | H19 | 178.2° | 177.5° |
| C19 | C15 | C16 | H20 | 62.2° | 62.2° |
| C15 | C19 | H23 | H24 | 119.9° | 120.0° |
| C19 | C15 | O35 | H45 | 61.6° | 179.9° |
| N13 | C14 | C15 | H17 | 120.4° | 120.0° |
| N13 | C14 | C15 | H18 | 120.4° | 120.0° |
| N13 | C14 | C15 | O35 | 167.0° | 65.0° |
| N13 | C14 | H17 | H18 | 118.8° | 120.0° |
| C15 | C14 | H17 | H18 | 118.8° | 120.0° |
| C14 | C15 | C16 | H19 | 59.3° | 57.6° |
| C14 | C15 | C16 | H20 | 60.3° | 177.8° |
| C14 | C15 | C19 | H23 | 57.5° | 179.2° |
| C14 | C15 | C19 | H24 | 62.4° | 59.3° |
| C15 | C14 | N13 | H43 | 143.5° | 0.0° |
| C14 | C15 | O35 | H45 | 60.0° | 60.0° |
| O35 | C15 | C14 | H17 | 72.6° | 175.0° |
| O35 | C15 | C14 | H18 | 46.6° | 55.0° |
| O35 | C15 | C16 | H19 | 59.2° | 62.5° |
| O35 | C15 | C16 | H20 | 178.7° | 57.8° |
| O35 | C15 | C19 | H23 | 176.7° | 59.2° |
| O35 | C15 | C19 | H24 | 56.8° | 60.8° |
| N24 | C23 | N22 | H25 | 180.0° | 179.9° |
| H1 | C10 | C09 | H16 | 0.4° | 0.3° |
| H2 | C17 | C16 | H19 | 54.5° | 57.5° |
| H2 | C17 | C16 | H20 | 174.1° | 177.8° |
| H2 | C17 | C18 | H21 | 167.1° | 59.2° |
| H2 | C17 | C18 | H22 | 47.0° | 179.3° |
| H3 | C17 | C16 | H19 | 64.4° | 62.5° |
| H3 | C17 | C16 | H20 | 55.1° | 57.7° |
| H3 | C17 | C18 | H21 | 48.2° | 60.9° |
| H3 | C17 | C18 | H22 | 71.9° | 59.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | H8 | H9 | 120.0° | 120.0° |
| H10 | C04 | C05 | H12 | 58.3° | 59.1° |
| H10 | C04 | C05 | H13 | 177.2° | 60.9° |
| H11 | C04 | C05 | H12 | 62.5° | 179.2° |
| H11 | C04 | C05 | H13 | 56.3° | 59.2° |
| H17 | C14 | N13 | H43 | 96.1° | 120.0° |
| H18 | C14 | N13 | H43 | 23.1° | 120.0° |
| H26 | C27 | N26 | H44 | 91.8° | 120.0° |
| H27 | C27 | N26 | H44 | 26.8° | 120.0° |
| H28 | C29 | C30 | H29 | 0.3° | 0.0° |
| H29 | C30 | C31 | H30 | 0.2° | 0.0° |
| H30 | C31 | C32 | H31 | 0.2° | 0.0° |
| H31 | C32 | C33 | H32 | 0.5° | 0.0° |
| H34 | C36 | C37 | H35 | 0.2° | 0.0° |
| H35 | C37 | C38 | H36 | 0.3° | 0.1° |
| H38 | C41 | C42 | H40 | 62.1° | 59.3° |
| H38 | C41 | C42 | H41 | 58.0° | 60.8° |
| H39 | C41 | C42 | H40 | 57.5° | 179.2° |
| H39 | C41 | C42 | H41 | 177.6° | 59.1° |
