ZLY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C13 | sing | 1.42Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.57Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C04 | N03 | sing | 1.48Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | C16 | doub | 1.36Å | 1.41Å | Aromatic |
| N03 | C02 | sing | 1.37Å | 1.53Å | |
| C05 | C17 | sing | 1.53Å | 1.49Å | |
| O48 | C47 | doub | 1.22Å | 1.20Å | |
| O40 | C32 | doub | 1.21Å | 1.18Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C39 | C34 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | doub | 1.31Å | 1.27Å | |
| C02 | C41 | sing | 1.51Å | 1.60Å | |
| C14 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C47 | C34 | sing | 1.50Å | 1.57Å | |
| C47 | N46 | sing | 1.36Å | 1.49Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| C32 | N33 | sing | 1.37Å | 1.47Å | |
| C31 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | N46 | sing | 1.48Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C34 | N33 | sing | 1.48Å | 1.47Å | |
| C34 | C35 | sing | 1.52Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.47Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.59Å | |
| C30 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C42 | C43 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| O45 | C43 | doub | 1.21Å | 1.20Å | |
| C43 | N44 | sing | 1.35Å | 1.46Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| O28 | C26 | doub | 1.21Å | 1.27Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | O27 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| N03 | H39 | sing | 0.97Å | 1.00Å | |
| N33 | H40 | sing | 0.97Å | 1.00Å | |
| N44 | H41 | sing | 0.97Å | 1.00Å | |
| N44 | H42 | sing | 0.97Å | 1.00Å | |
| N46 | H43 | sing | 0.97Å | 1.00Å | |
| O27 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.2° | 121.0° |
| C10 | C11 | C12 | 120.2° | 121.0° |
| C11 | C10 | H1 | 119.9° | 119.5° |
| C10 | C11 | H13 | 119.9° | 119.5° |
| C10 | C09 | C08 | 120.0° | 119.6° |
| C09 | C10 | H1 | 119.9° | 119.5° |
| C10 | C09 | H12 | 120.0° | 120.2° |
| C11 | C12 | C13 | 120.1° | 119.7° |
| C12 | C11 | H13 | 119.9° | 119.5° |
| C11 | C12 | H14 | 119.9° | 120.1° |
| C09 | C08 | C13 | 120.0° | 119.4° |
| C09 | C08 | C07 | 120.5° | 121.3° |
| C08 | C09 | H12 | 120.0° | 120.2° |
| C12 | C13 | C08 | 119.5° | 119.4° |
| C12 | C13 | C14 | 120.4° | 121.3° |
| C13 | C12 | H14 | 119.9° | 120.2° |
| C13 | C08 | C07 | 119.5° | 119.4° |
| C08 | C13 | C14 | 120.1° | 119.3° |
| C08 | C07 | C06 | 118.9° | 120.2° |
| C08 | C07 | C16 | 120.1° | 119.6° |
| C07 | C06 | C05 | 117.9° | 109.5° |
| C06 | C07 | C16 | 121.0° | 120.2° |
| C07 | C06 | H10 | 107.3° | 109.5° |
| C07 | C06 | H11 | 107.3° | 109.5° |
| C06 | C05 | C04 | 104.0° | 110.5° |
| C06 | C05 | C17 | 111.5° | 109.5° |
| C06 | C05 | H9 | 110.6° | 109.2° |
| C05 | C06 | H10 | 107.3° | 109.5° |
| C05 | C06 | H11 | 107.3° | 109.4° |
| N03 | C04 | C05 | 113.0° | 109.6° |
| C04 | N03 | C02 | 119.5° | 114.6° |
| N03 | C04 | H7 | 108.6° | 110.1° |
| N03 | C04 | H8 | 108.6° | 109.3° |
| C04 | N03 | H39 | 120.3° | 123.1° |
| C04 | C05 | C17 | 108.5° | 109.5° |
| C05 | C04 | H7 | 108.6° | 109.7° |
| C05 | C04 | H8 | 108.6° | 109.4° |
| C04 | C05 | H9 | 110.5° | 109.2° |
| C13 | C14 | C15 | 120.5° | 119.7° |
| C13 | C14 | H15 | 119.7° | 120.1° |
| C07 | C16 | C15 | 120.6° | 121.0° |
| C07 | C16 | H16 | 119.7° | 119.5° |
| N03 | C02 | O01 | 122.9° | 121.1° |
| N03 | C02 | C41 | 116.6° | 118.6° |
| C02 | N03 | H39 | 120.2° | 122.2° |
| C05 | C17 | C18 | 114.6° | 109.7° |
| C05 | C17 | H3 | 108.2° | 109.4° |
| C05 | C17 | H4 | 108.2° | 109.3° |
| C17 | C05 | H9 | 111.6° | 109.0° |
| O48 | C47 | C34 | 123.6° | 119.6° |
| O48 | C47 | N46 | 118.5° | 119.8° |
| O40 | C32 | C31 | 115.6° | 120.5° |
| O40 | C32 | N33 | 118.6° | 121.4° |
| C38 | C39 | C34 | 109.6° | 109.7° |
| C39 | C38 | C37 | 113.2° | 109.6° |
| C39 | C38 | H32 | 108.5° | 109.3° |
| C39 | C38 | H33 | 108.6° | 109.7° |
| C38 | C39 | H34 | 109.5° | 109.5° |
| C38 | C39 | H35 | 109.4° | 109.5° |
| C39 | C34 | C47 | 94.6° | 109.8° |
| C39 | C34 | N33 | 141.7° | 108.5° |
| C39 | C34 | C35 | 111.9° | 109.9° |
| C34 | C39 | H34 | 109.4° | 109.3° |
| C34 | C39 | H35 | 109.5° | 109.4° |
| C17 | C18 | C19 | 117.5° | 120.2° |
| C18 | C17 | H3 | 108.2° | 109.6° |
| C18 | C17 | H4 | 108.1° | 109.5° |
| C17 | C18 | H17 | 121.3° | 119.9° |
| O01 | C02 | C41 | 120.5° | 120.3° |
| C38 | C37 | C36 | 111.8° | 109.8° |
| C38 | C37 | H30 | 108.9° | 109.4° |
| C38 | C37 | H31 | 108.9° | 109.3° |
| C37 | C38 | H32 | 108.6° | 109.3° |
| C37 | C38 | H33 | 108.5° | 109.6° |
| C18 | C19 | C20 | 126.5° | 120.1° |
| C19 | C18 | H17 | 121.3° | 119.9° |
| C18 | C19 | H18 | 116.8° | 120.0° |
| C02 | C41 | N46 | 112.1° | 108.2° |
| C02 | C41 | C42 | 107.0° | 109.7° |
| C02 | C41 | H36 | 109.1° | 109.8° |
| C14 | C15 | C16 | 119.2° | 121.0° |
| C14 | C15 | H2 | 120.4° | 119.5° |
| C15 | C14 | H15 | 119.7° | 120.2° |
| C34 | C47 | N46 | 117.8° | 120.5° |
| C47 | C34 | N33 | 83.9° | 108.5° |
| C47 | C34 | C35 | 143.5° | 111.0° |
| C47 | N46 | C41 | 120.5° | 115.6° |
| C47 | N46 | H43 | 119.7° | 123.0° |
| C31 | C32 | N33 | 125.8° | 118.1° |
| C32 | C31 | C20 | 114.7° | 109.8° |
| C32 | C31 | H24 | 108.2° | 109.3° |
| C32 | C31 | H25 | 108.2° | 109.4° |
| C32 | N33 | C34 | 115.8° | 115.1° |
| C32 | N33 | H40 | 122.1° | 122.4° |
| C31 | C20 | C19 | 113.3° | 109.6° |
| C31 | C20 | C21 | 107.6° | 109.3° |
| C31 | C20 | H5 | 109.5° | 109.7° |
| C20 | C31 | H24 | 108.1° | 109.4° |
| C20 | C31 | H25 | 108.1° | 109.5° |
| C16 | C15 | H2 | 120.4° | 119.5° |
| C15 | C16 | H16 | 119.7° | 119.5° |
| N46 | C41 | C42 | 106.5° | 109.5° |
| N46 | C41 | H36 | 111.5° | 109.8° |
| C41 | N46 | H43 | 119.8° | 121.4° |
| C41 | C42 | C43 | 114.6° | 109.5° |
| C42 | C41 | H36 | 110.4° | 109.8° |
| C41 | C42 | H37 | 108.2° | 109.4° |
| C41 | C42 | H38 | 108.2° | 109.4° |
| N33 | C34 | C35 | 89.5° | 109.1° |
| C34 | N33 | H40 | 122.1° | 122.5° |
| C34 | C35 | C36 | 111.2° | 109.5° |
| C34 | C35 | H26 | 109.0° | 109.8° |
| C34 | C35 | H27 | 109.0° | 110.0° |
| C19 | C20 | C21 | 107.2° | 109.2° |
| C19 | C20 | H5 | 110.4° | 109.6° |
| C20 | C19 | H18 | 116.7° | 119.9° |
| C37 | C36 | C35 | 108.0° | 109.6° |
| C37 | C36 | H28 | 109.8° | 109.5° |
| C37 | C36 | H29 | 109.9° | 109.4° |
| C36 | C37 | H30 | 108.9° | 109.5° |
| C36 | C37 | H31 | 108.9° | 109.5° |
| C20 | C21 | C30 | 120.7° | 120.0° |
| C20 | C21 | C22 | 118.6° | 120.0° |
| C21 | C20 | H5 | 108.7° | 109.3° |
| C21 | C30 | C29 | 119.7° | 120.0° |
| C30 | C21 | C22 | 120.6° | 119.9° |
| C21 | C30 | H23 | 120.2° | 120.0° |
| C30 | C29 | C24 | 119.6° | 120.0° |
| C30 | C29 | H22 | 120.2° | 120.0° |
| C29 | C30 | H23 | 120.2° | 120.0° |
| C36 | C35 | H26 | 109.0° | 109.2° |
| C36 | C35 | H27 | 109.0° | 108.9° |
| C35 | C36 | H28 | 109.8° | 109.5° |
| C35 | C36 | H29 | 109.8° | 109.4° |
| C42 | C43 | O45 | 120.2° | 120.0° |
| C42 | C43 | N44 | 117.5° | 120.0° |
| C43 | C42 | H37 | 108.1° | 109.5° |
| C43 | C42 | H38 | 108.2° | 109.5° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C21 | C22 | H6 | 120.2° | 120.0° |
| C29 | C24 | C23 | 120.2° | 120.0° |
| C29 | C24 | C25 | 121.1° | 119.9° |
| C24 | C29 | H22 | 120.2° | 120.1° |
| O45 | C43 | N44 | 122.3° | 120.0° |
| C43 | N44 | H41 | 120.0° | 120.0° |
| C43 | N44 | H42 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H6 | 120.2° | 120.0° |
| C22 | C23 | H19 | 119.8° | 120.0° |
| C23 | C24 | C25 | 118.8° | 120.0° |
| C24 | C23 | H19 | 119.8° | 120.0° |
| C24 | C25 | C26 | 110.9° | 109.5° |
| C24 | C25 | H20 | 109.1° | 109.5° |
| C24 | C25 | H21 | 109.1° | 109.5° |
| O28 | C26 | C25 | 120.6° | 120.0° |
| O28 | C26 | O27 | 119.1° | 120.0° |
| C25 | C26 | O27 | 120.3° | 120.0° |
| C26 | C25 | H20 | 109.1° | 109.4° |
| C26 | C25 | H21 | 109.1° | 109.4° |
| C26 | O27 | H44 | 109.5° | 117.0° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 108.8° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.4° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H26 | C35 | H27 | 109.5° | 109.2° |
| H28 | C36 | H29 | 109.5° | 109.4° |
| H30 | C37 | H31 | 109.5° | 109.3° |
| H32 | C38 | H33 | 109.5° | 109.2° |
| H34 | C39 | H35 | 109.5° | 109.4° |
| H37 | C42 | H38 | 109.5° | 109.5° |
| H41 | N44 | H42 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C09 | H12 | 179.8° | 180.0° |
| C10 | C11 | C12 | H14 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C09 | C08 | H12 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 179.6° | 179.9° |
| C09 | C10 | C11 | H13 | 179.9° | 180.0° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C08 | 0.2° | 0.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C13 | C12 | 0.1° | 0.0° |
| C09 | C08 | C13 | C07 | 179.7° | 179.9° |
| C09 | C08 | C07 | C06 | 0.6° | 0.1° |
| C09 | C08 | C13 | C14 | 179.9° | 179.9° |
| C09 | C08 | C07 | C16 | 179.7° | 180.0° |
| C08 | C09 | C10 | H1 | 179.8° | 179.6° |
| C12 | C13 | C08 | C14 | 179.9° | 180.0° |
| C12 | C13 | C08 | C07 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C11 | H13 | 179.9° | 179.9° |
| C12 | C13 | C14 | H15 | 0.1° | 0.1° |
| C13 | C08 | C07 | C06 | 179.7° | 180.0° |
| C13 | C08 | C07 | C16 | 0.6° | 0.1° |
| C08 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C08 | C09 | H12 | 179.9° | 180.0° |
| C08 | C13 | C12 | H14 | 179.8° | 180.0° |
| C08 | C13 | C14 | H15 | 180.0° | 179.9° |
| C08 | C07 | C06 | C16 | 179.1° | 179.9° |
| C08 | C07 | C06 | C05 | 160.6° | 72.4° |
| C07 | C08 | C13 | C14 | 0.3° | 0.0° |
| C08 | C07 | C16 | C15 | 0.5° | 0.1° |
| C08 | C07 | C06 | H10 | 78.2° | 47.6° |
| C08 | C07 | C06 | H11 | 39.4° | 167.7° |
| C07 | C08 | C09 | H12 | 0.4° | 0.1° |
| C08 | C07 | C16 | H16 | 179.5° | 179.8° |
| C07 | C06 | C05 | H10 | 121.2° | 120.0° |
| C07 | C06 | C05 | H11 | 121.2° | 120.0° |
| C07 | C06 | C05 | C04 | 179.7° | 83.9° |
| C07 | C06 | C05 | C17 | 63.6° | 155.4° |
| C06 | C07 | C16 | C15 | 179.6° | 180.0° |
| C07 | C06 | C05 | H9 | 61.1° | 36.2° |
| C07 | C06 | H10 | H11 | 116.2° | 120.0° |
| C06 | C07 | C16 | H16 | 0.4° | 0.1° |
| C06 | C05 | C04 | N03 | 151.7° | 18.0° |
| C06 | C05 | C04 | C17 | 118.7° | 120.7° |
| C06 | C05 | C04 | H9 | 118.7° | 120.1° |
| C05 | C06 | C07 | C16 | 20.2° | 107.5° |
| C06 | C05 | C17 | H9 | 124.1° | 119.3° |
| C06 | C05 | C17 | C18 | 147.8° | 52.4° |
| C06 | C05 | C17 | H3 | 27.1° | 67.9° |
| C06 | C05 | C17 | H4 | 91.4° | 172.4° |
| C06 | C05 | C04 | H7 | 87.8° | 102.9° |
| C06 | C05 | C04 | H8 | 31.2° | 137.9° |
| C05 | C06 | H10 | H11 | 116.2° | 120.0° |
| N03 | C04 | C05 | H7 | 120.5° | 120.9° |
| N03 | C04 | C05 | H8 | 120.5° | 119.9° |
| C04 | N03 | C02 | H39 | 180.0° | 178.7° |
| N03 | C04 | C05 | C17 | 89.6° | 138.7° |
| C04 | N03 | C02 | O01 | 0.8° | 3.5° |
| C04 | N03 | C02 | C41 | 178.9° | 176.8° |
| N03 | C04 | H7 | H8 | 118.4° | 119.8° |
| N03 | C04 | C05 | H9 | 33.0° | 102.0° |
| C05 | C04 | N03 | C02 | 68.8° | 121.3° |
| C04 | C05 | C17 | H9 | 122.0° | 119.4° |
| C04 | C05 | C17 | C18 | 33.9° | 69.0° |
| C04 | C05 | C17 | H3 | 86.8° | 170.8° |
| C04 | C05 | C17 | H4 | 154.7° | 51.0° |
| C05 | C04 | H7 | H8 | 118.4° | 119.6° |
| C04 | C05 | C06 | H10 | 58.5° | 156.1° |
| C04 | C05 | C06 | H11 | 59.0° | 36.1° |
| C05 | C04 | N03 | H39 | 111.1° | 60.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C14 | C13 | C12 | H14 | 0.1° | 0.0° |
| C07 | C16 | C15 | C14 | 0.1° | 0.0° |
| C07 | C16 | C15 | H16 | 180.0° | 179.9° |
| C07 | C16 | C15 | H2 | 179.9° | 180.0° |
| C16 | C07 | C06 | H10 | 101.0° | 132.4° |
| C16 | C07 | C06 | H11 | 141.5° | 12.4° |
| N03 | C02 | O01 | C41 | 179.7° | 179.7° |
| N03 | C02 | C41 | N46 | 19.9° | 138.2° |
| N03 | C02 | C41 | C42 | 136.3° | 102.3° |
| C02 | N03 | C04 | H7 | 170.6° | 0.6° |
| C02 | N03 | C04 | H8 | 51.7° | 118.8° |
| N03 | C02 | C41 | H36 | 104.2° | 18.4° |
| C05 | C17 | C18 | H3 | 120.8° | 120.1° |
| C05 | C17 | C18 | H4 | 120.8° | 119.9° |
| C05 | C17 | C18 | C19 | 101.3° | 114.9° |
| C05 | C17 | H3 | H4 | 117.7° | 119.7° |
| C17 | C05 | C04 | H7 | 30.9° | 17.8° |
| C17 | C05 | C04 | H8 | 149.9° | 101.4° |
| C17 | C05 | C06 | H10 | 175.2° | 35.4° |
| C17 | C05 | C06 | H11 | 57.6° | 84.6° |
| C05 | C17 | C18 | H17 | 78.7° | 65.4° |
| O48 | C47 | C34 | C39 | 3.5° | 79.4° |
| O48 | C47 | C34 | N46 | 176.0° | 179.7° |
| O48 | C47 | N46 | C41 | 0.2° | 6.8° |
| O48 | C47 | C34 | N33 | 145.1° | 39.0° |
| O48 | C47 | C34 | C35 | 134.1° | 158.9° |
| O48 | C47 | N46 | H43 | 179.8° | 172.8° |
| O40 | C32 | C31 | N33 | 178.8° | 179.7° |
| O40 | C32 | C31 | C20 | 161.7° | 12.8° |
| O40 | C32 | N33 | C34 | 0.4° | 5.5° |
| O40 | C32 | C31 | H24 | 40.9° | 107.2° |
| O40 | C32 | C31 | H25 | 77.6° | 133.1° |
| O40 | C32 | N33 | H40 | 179.6° | 174.4° |
| C38 | C39 | C34 | H34 | 120.0° | 120.1° |
| C38 | C39 | C34 | H35 | 120.0° | 120.1° |
| C39 | C38 | C37 | H32 | 120.5° | 119.8° |
| C39 | C38 | C37 | H33 | 120.6° | 120.5° |
| C38 | C39 | C34 | C47 | 173.8° | 100.9° |
| C38 | C39 | C34 | N33 | 100.2° | 140.7° |
| C38 | C39 | C34 | C35 | 19.4° | 21.5° |
| C39 | C38 | C37 | C36 | 35.5° | 43.2° |
| C39 | C38 | C37 | H30 | 84.9° | 77.0° |
| C39 | C38 | C37 | H31 | 155.8° | 163.3° |
| C39 | C38 | H32 | H33 | 118.3° | 120.0° |
| C38 | C39 | H34 | H35 | 120.0° | 120.0° |
| C34 | C39 | C38 | C37 | 60.9° | 68.4° |
| C39 | C34 | C47 | N33 | 141.5° | 118.4° |
| C39 | C34 | C47 | C35 | 137.6° | 121.7° |
| C39 | C34 | C47 | N46 | 179.5° | 100.3° |
| C39 | C34 | N33 | C32 | 36.0° | 169.5° |
| C39 | C34 | N33 | C35 | 126.2° | 119.7° |
| C39 | C34 | C35 | C36 | 43.2° | 43.6° |
| C39 | C34 | C35 | H26 | 77.1° | 163.5° |
| C39 | C34 | C35 | H27 | 163.4° | 76.2° |
| C34 | C39 | C38 | H32 | 178.5° | 171.8° |
| C34 | C39 | C38 | H33 | 59.6° | 52.0° |
| C34 | C39 | H34 | H35 | 120.0° | 119.8° |
| C39 | C34 | N33 | H40 | 144.0° | 10.6° |
| C17 | C18 | C19 | H17 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C18 | C17 | H3 | H4 | 117.6° | 120.0° |
| C18 | C17 | C05 | H9 | 88.0° | 171.7° |
| C17 | C18 | C19 | H18 | 0.7° | 0.1° |
| O01 | C02 | C41 | N46 | 160.4° | 42.0° |
| O01 | C02 | C41 | C42 | 44.0° | 77.4° |
| O01 | C02 | C41 | H36 | 75.6° | 161.8° |
| O01 | C02 | N03 | H39 | 179.2° | 175.2° |
| C38 | C37 | C36 | H30 | 120.3° | 120.2° |
| C38 | C37 | C36 | H31 | 120.3° | 120.0° |
| C38 | C37 | C36 | C35 | 26.5° | 21.8° |
| C38 | C37 | C36 | H28 | 93.2° | 98.3° |
| C38 | C37 | C36 | H29 | 146.3° | 141.8° |
| C38 | C37 | H30 | H31 | 118.9° | 119.7° |
| C37 | C38 | H32 | H33 | 118.3° | 120.0° |
| C37 | C38 | C39 | H34 | 179.1° | 171.6° |
| C37 | C38 | C39 | H35 | 59.1° | 51.7° |
| C18 | C19 | C20 | C31 | 5.6° | 101.5° |
| C18 | C19 | C20 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 113.0° | 138.7° |
| C19 | C18 | C17 | H3 | 137.9° | 5.2° |
| C19 | C18 | C17 | H4 | 19.5° | 125.1° |
| C18 | C19 | C20 | H5 | 128.7° | 18.9° |
| C02 | C41 | N46 | C47 | 105.0° | 75.1° |
| C02 | C41 | N46 | C42 | 116.7° | 119.5° |
| C02 | C41 | N46 | H36 | 122.7° | 119.8° |
| C02 | C41 | C42 | H36 | 118.7° | 120.7° |
| C02 | C41 | C42 | C43 | 63.8° | 175.0° |
| C02 | C41 | C42 | H37 | 56.9° | 65.0° |
| C02 | C41 | C42 | H38 | 175.4° | 54.9° |
| C41 | C02 | N03 | H39 | 1.1° | 4.5° |
| C02 | C41 | N46 | H43 | 75.0° | 105.4° |
| C14 | C15 | C16 | H2 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C47 | C34 | N33 | C32 | 125.7° | 50.2° |
| C34 | C47 | N46 | C41 | 175.9° | 173.5° |
| C47 | C34 | N33 | C35 | 144.1° | 121.1° |
| C47 | C34 | C35 | C36 | 90.4° | 165.2° |
| C47 | C34 | C35 | H26 | 149.3° | 74.8° |
| C47 | C34 | C35 | H27 | 29.8° | 45.5° |
| C47 | C34 | C39 | H34 | 66.1° | 19.2° |
| C47 | C34 | C39 | H35 | 53.8° | 139.0° |
| C47 | C34 | N33 | H40 | 54.3° | 129.9° |
| C34 | C47 | N46 | H43 | 4.1° | 6.9° |
| C47 | N46 | C41 | H43 | 180.0° | 179.6° |
| C47 | N46 | C41 | C42 | 138.2° | 165.4° |
| N46 | C47 | C34 | N33 | 39.0° | 141.3° |
| N46 | C47 | C34 | C35 | 41.9° | 21.4° |
| C47 | N46 | C41 | H36 | 17.7° | 44.7° |
| C32 | C31 | C20 | H24 | 120.8° | 119.9° |
| C32 | C31 | C20 | H25 | 120.8° | 120.2° |
| C31 | C32 | N33 | C34 | 179.2° | 174.8° |
| C32 | C31 | C20 | C19 | 114.5° | 91.6° |
| C32 | C31 | C20 | C21 | 127.1° | 148.7° |
| C32 | C31 | C20 | H5 | 9.1° | 28.8° |
| C32 | C31 | H24 | H25 | 117.6° | 119.8° |
| C31 | C32 | N33 | H40 | 0.8° | 5.3° |
| N33 | C32 | C31 | C20 | 19.5° | 166.9° |
| C32 | N33 | C34 | H40 | 180.0° | 179.9° |
| C32 | N33 | C34 | C35 | 90.2° | 70.9° |
| N33 | C32 | C31 | H24 | 140.2° | 73.1° |
| N33 | C32 | C31 | H25 | 101.3° | 46.6° |
| C31 | C20 | C19 | C21 | 118.6° | 119.8° |
| C31 | C20 | C19 | H5 | 123.2° | 120.5° |
| C31 | C20 | C21 | H5 | 118.5° | 120.1° |
| C31 | C20 | C21 | C30 | 20.2° | 59.6° |
| C31 | C20 | C21 | C22 | 159.9° | 120.1° |
| C31 | C20 | C19 | H18 | 174.4° | 78.6° |
| C20 | C31 | H24 | H25 | 117.6° | 120.0° |
| C16 | C15 | C14 | H15 | 179.9° | 179.9° |
| N46 | C41 | C42 | H36 | 121.2° | 120.6° |
| N46 | C41 | C42 | C43 | 56.3° | 66.4° |
| N46 | C41 | C42 | H37 | 177.0° | 53.6° |
| N46 | C41 | C42 | H38 | 64.5° | 173.6° |
| C41 | C42 | C43 | H37 | 120.8° | 120.0° |
| C41 | C42 | C43 | H38 | 120.7° | 120.0° |
| C41 | C42 | C43 | O45 | 23.6° | 0.1° |
| C41 | C42 | C43 | N44 | 156.2° | 180.0° |
| C41 | C42 | H37 | H38 | 117.7° | 119.9° |
| C42 | C41 | N46 | H43 | 41.8° | 14.2° |
| N33 | C34 | C35 | C36 | 169.5° | 75.2° |
| N33 | C34 | C35 | H26 | 70.3° | 44.7° |
| N33 | C34 | C35 | H27 | 49.2° | 165.0° |
| N33 | C34 | C39 | H34 | 19.9° | 99.2° |
| N33 | C34 | C39 | H35 | 139.8° | 20.6° |
| C34 | C35 | C36 | C37 | 68.7° | 68.8° |
| C34 | C35 | C36 | H26 | 120.3° | 120.3° |
| C34 | C35 | C36 | H27 | 120.3° | 120.4° |
| C34 | C35 | H26 | H27 | 119.2° | 120.8° |
| C34 | C35 | C36 | H28 | 51.0° | 51.4° |
| C34 | C35 | C36 | H29 | 171.5° | 171.3° |
| C35 | C34 | C39 | H34 | 139.4° | 141.6° |
| C35 | C34 | C39 | H35 | 100.6° | 98.6° |
| C35 | C34 | N33 | H40 | 89.8° | 109.0° |
| C19 | C20 | C21 | H5 | 119.3° | 119.9° |
| C19 | C20 | C21 | C30 | 101.9° | 60.4° |
| C19 | C20 | C21 | C22 | 77.9° | 119.9° |
| C20 | C19 | C18 | H17 | 0.7° | 0.4° |
| C19 | C20 | C31 | H24 | 124.7° | 28.3° |
| C19 | C20 | C31 | H25 | 6.2° | 148.2° |
| C37 | C36 | C35 | H28 | 119.8° | 120.2° |
| C37 | C36 | C35 | H29 | 119.8° | 119.9° |
| C37 | C36 | C35 | H26 | 51.5° | 170.9° |
| C37 | C36 | C35 | H27 | 171.0° | 51.6° |
| C37 | C36 | H28 | H29 | 120.7° | 119.9° |
| C36 | C37 | H30 | H31 | 119.0° | 119.9° |
| C36 | C37 | C38 | H32 | 156.0° | 163.0° |
| C36 | C37 | C38 | H33 | 85.1° | 77.3° |
| C20 | C21 | C30 | C22 | 179.9° | 179.7° |
| C20 | C21 | C30 | C29 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C20 | C21 | C22 | H6 | 0.4° | 0.0° |
| C21 | C20 | C19 | H18 | 67.0° | 41.2° |
| C20 | C21 | C30 | H23 | 0.2° | 0.0° |
| C21 | C20 | C31 | H24 | 6.3° | 91.4° |
| C21 | C20 | C31 | H25 | 112.1° | 28.5° |
| C21 | C30 | C29 | H23 | 180.0° | 180.0° |
| C21 | C30 | C29 | C24 | 0.1° | 0.0° |
| C30 | C21 | C22 | C23 | 0.3° | 0.2° |
| C30 | C21 | C20 | H5 | 138.8° | 179.7° |
| C30 | C21 | C22 | H6 | 179.7° | 179.7° |
| C21 | C30 | C29 | H22 | 179.9° | 179.7° |
| C29 | C30 | C21 | C22 | 0.1° | 0.2° |
| C30 | C29 | C24 | H22 | 180.0° | 179.7° |
| C30 | C29 | C24 | C23 | 0.1° | 0.3° |
| C30 | C29 | C24 | C25 | 179.9° | 180.0° |
| C36 | C35 | H26 | H27 | 119.2° | 119.1° |
| C35 | C36 | H28 | H29 | 120.7° | 119.8° |
| C35 | C36 | C37 | H30 | 146.9° | 142.0° |
| C35 | C36 | C37 | H31 | 93.8° | 98.2° |
| C42 | C43 | O45 | N44 | 179.8° | 179.9° |
| C43 | C42 | C41 | H36 | 177.5° | 54.3° |
| C43 | C42 | H37 | H38 | 117.7° | 120.1° |
| C42 | C43 | N44 | H41 | 179.9° | 0.1° |
| C42 | C43 | N44 | H42 | 0.2° | 179.9° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C20 | H5 | 41.4° | 0.0° |
| C21 | C22 | C23 | H19 | 179.7° | 179.9° |
| C22 | C21 | C30 | H23 | 180.0° | 179.7° |
| C29 | C24 | C23 | C22 | 0.1° | 0.3° |
| C29 | C24 | C23 | C25 | 179.9° | 179.7° |
| C29 | C24 | C25 | C26 | 107.1° | 89.8° |
| C29 | C24 | C23 | H19 | 179.9° | 179.8° |
| C29 | C24 | C25 | H20 | 132.7° | 30.2° |
| C29 | C24 | C25 | H21 | 13.2° | 150.2° |
| C24 | C29 | C30 | H23 | 179.8° | 180.0° |
| O45 | C43 | C42 | H37 | 144.4° | 120.0° |
| O45 | C43 | C42 | H38 | 97.1° | 120.0° |
| O45 | C43 | N44 | H41 | 0.0° | 180.0° |
| O45 | C43 | N44 | H42 | 180.0° | 0.0° |
| N44 | C43 | C42 | H37 | 35.5° | 60.1° |
| N44 | C43 | C42 | H38 | 83.0° | 60.0° |
| C43 | N44 | H41 | H42 | 179.9° | 180.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 179.8° | 180.0° |
| C23 | C24 | C25 | C26 | 73.0° | 90.0° |
| C24 | C23 | C22 | H6 | 179.7° | 180.0° |
| C23 | C24 | C25 | H20 | 47.2° | 150.0° |
| C23 | C24 | C25 | H21 | 166.8° | 30.0° |
| C23 | C24 | C29 | H22 | 179.9° | 180.0° |
| C24 | C25 | C26 | O28 | 18.0° | 0.0° |
| C24 | C25 | C26 | H20 | 120.2° | 120.1° |
| C24 | C25 | C26 | H21 | 120.2° | 120.0° |
| C24 | C25 | C26 | O27 | 161.9° | 180.0° |
| C25 | C24 | C23 | H19 | 0.2° | 0.1° |
| C24 | C25 | H20 | H21 | 119.4° | 120.0° |
| C25 | C24 | C29 | H22 | 0.1° | 0.3° |
| O28 | C26 | C25 | O27 | 179.9° | 180.0° |
| O28 | C26 | C25 | H20 | 138.2° | 120.0° |
| O28 | C26 | C25 | H21 | 102.2° | 120.0° |
| O28 | C26 | O27 | H44 | 0.0° | 0.0° |
| C26 | C25 | H20 | H21 | 119.4° | 119.9° |
| C25 | C26 | O27 | H44 | 179.9° | 180.0° |
| O27 | C26 | C25 | H20 | 41.7° | 60.0° |
| O27 | C26 | C25 | H21 | 77.9° | 60.0° |
| H1 | C10 | C09 | H12 | 0.2° | 0.3° |
| H1 | C10 | C11 | H13 | 0.1° | 0.3° |
| H2 | C15 | C14 | H15 | 0.1° | 0.1° |
| H2 | C15 | C16 | H16 | 0.1° | 0.1° |
| H3 | C17 | C05 | H9 | 151.2° | 51.4° |
| H3 | C17 | C18 | H17 | 42.1° | 174.5° |
| H4 | C17 | C05 | H9 | 32.7° | 68.3° |
| H4 | C17 | C18 | H17 | 160.6° | 54.5° |
| H5 | C20 | C19 | H18 | 51.2° | 161.0° |
| H5 | C20 | C31 | H24 | 111.7° | 148.8° |
| H5 | C20 | C31 | H25 | 129.9° | 91.4° |
| H6 | C22 | C23 | H19 | 0.3° | 0.1° |
| H7 | C04 | C05 | H9 | 153.6° | 137.1° |
| H7 | C04 | N03 | H39 | 9.4° | 179.3° |
| H8 | C04 | C05 | H9 | 87.5° | 17.8° |
| H8 | C04 | N03 | H39 | 128.3° | 59.9° |
| H9 | C05 | C06 | H10 | 60.1° | 83.8° |
| H9 | C05 | C06 | H11 | 177.7° | 156.2° |
| H13 | C11 | C12 | H14 | 0.1° | 0.1° |
| H17 | C18 | C19 | H18 | 179.3° | 179.5° |
| H22 | C29 | C30 | H23 | 0.2° | 0.3° |
| H26 | C35 | C36 | H28 | 171.3° | 68.9° |
| H26 | C35 | C36 | H29 | 68.3° | 50.9° |
| H27 | C35 | C36 | H28 | 69.3° | 171.8° |
| H27 | C35 | C36 | H29 | 51.2° | 68.3° |
| H28 | C36 | C37 | H30 | 27.1° | 21.8° |
| H28 | C36 | C37 | H31 | 146.4° | 141.6° |
| H29 | C36 | C37 | H30 | 93.4° | 98.1° |
| H29 | C36 | C37 | H31 | 26.0° | 21.7° |
| H30 | C37 | C38 | H32 | 35.7° | 42.8° |
| H30 | C37 | C38 | H33 | 154.6° | 162.5° |
| H31 | C37 | C38 | H32 | 83.6° | 76.9° |
| H31 | C37 | C38 | H33 | 35.3° | 42.8° |
| H32 | C38 | C39 | H34 | 58.5° | 51.8° |
| H32 | C38 | C39 | H35 | 61.4° | 68.1° |
| H33 | C38 | C39 | H34 | 60.4° | 67.9° |
| H33 | C38 | C39 | H35 | 179.7° | 172.1° |
| H36 | C41 | C42 | H37 | 61.8° | 174.3° |
| H36 | C41 | C42 | H38 | 56.8° | 65.8° |
| H36 | C41 | N46 | H43 | 162.3° | 134.8° |
