LSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
| O27 | C26 | sing | 1.36Å | 1.36Å | |
| C24 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| O23 | C21 | doub | 1.21Å | 1.26Å | |
| C20 | C21 | sing | 1.47Å | 1.54Å | |
| C20 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.42Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| O30 | C16 | doub | 1.21Å | 1.16Å | |
| N17 | C16 | sing | 1.35Å | 1.44Å | |
| C16 | C15 | sing | 1.48Å | 1.51Å | |
| C15 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C38 | C33 | sing | 1.41Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.35Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.48Å | 1.54Å | |
| C32 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | N34 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C39 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.47Å | |
| C37 | N35 | sing | 1.35Å | 1.30Å | Aromatic |
| O40 | C11 | doub | 1.22Å | 1.18Å | |
| N12 | C11 | sing | 1.35Å | 1.44Å | |
| C11 | C10 | sing | 1.47Å | 1.49Å | |
| N34 | N35 | sing | 1.40Å | 1.36Å | Aromatic |
| N35 | C36 | sing | 1.47Å | 1.51Å | |
| C10 | O41 | sing | 1.35Å | 1.35Å | Aromatic |
| C10 | C09 | doub | 1.37Å | 1.40Å | Aromatic |
| O41 | C07 | sing | 1.34Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.45Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | doub | 1.35Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.31Å | |
| C42 | N05 | sing | 1.47Å | 1.43Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| N05 | C04 | sing | 1.47Å | 1.40Å | |
| C43 | N02 | sing | 1.47Å | 1.39Å | |
| C04 | C03 | sing | 1.53Å | 1.50Å | |
| N02 | C03 | sing | 1.47Å | 1.43Å | |
| N02 | C01 | sing | 1.47Å | 1.36Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| N17 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | O27 | 106.2° | 109.5° |
| C29 | C28 | H6 | 110.3° | 109.4° |
| C29 | C28 | H7 | 110.3° | 109.5° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.4° |
| C28 | C29 | H24 | 109.5° | 109.5° |
| C28 | O27 | C26 | 117.1° | 117.0° |
| O27 | C28 | H6 | 110.3° | 109.5° |
| O27 | C28 | H7 | 110.3° | 109.5° |
| C24 | C25 | C26 | 119.5° | 120.2° |
| C25 | C24 | C20 | 119.8° | 120.0° |
| C25 | C24 | H5 | 120.1° | 120.0° |
| C24 | C25 | H21 | 120.2° | 119.9° |
| C25 | C26 | O27 | 122.6° | 119.9° |
| C25 | C26 | C18 | 119.5° | 120.2° |
| C26 | C25 | H21 | 120.3° | 119.8° |
| O27 | C26 | C18 | 117.9° | 119.9° |
| C24 | C20 | C21 | 120.5° | 120.1° |
| C24 | C20 | C19 | 121.2° | 119.8° |
| C20 | C24 | H5 | 120.1° | 120.0° |
| C26 | C18 | C19 | 122.2° | 120.0° |
| C26 | C18 | N17 | 121.7° | 120.0° |
| O23 | C21 | C20 | 119.0° | 120.0° |
| O23 | C21 | C22 | 121.3° | 120.1° |
| C21 | C20 | C19 | 118.3° | 120.1° |
| C20 | C21 | C22 | 119.7° | 119.9° |
| C20 | C19 | C18 | 117.8° | 119.8° |
| C20 | C19 | H20 | 121.1° | 120.1° |
| C19 | C18 | N17 | 116.0° | 120.1° |
| C18 | C19 | H20 | 121.1° | 120.1° |
| C18 | N17 | C16 | 118.2° | 120.0° |
| C18 | N17 | H38 | 120.9° | 120.0° |
| C21 | C22 | H2 | 109.5° | 109.5° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.5° | 109.4° |
| O30 | C16 | N17 | 124.4° | 120.0° |
| O30 | C16 | C15 | 122.2° | 120.0° |
| N17 | C16 | C15 | 113.4° | 120.0° |
| C16 | N17 | H38 | 120.9° | 120.0° |
| C16 | C15 | C31 | 120.7° | 120.0° |
| C16 | C15 | C14 | 116.9° | 120.1° |
| C31 | C15 | C14 | 122.3° | 119.9° |
| C15 | C31 | C32 | 117.7° | 119.9° |
| C15 | C31 | H25 | 121.2° | 120.1° |
| C15 | C14 | C13 | 117.6° | 120.0° |
| C15 | C14 | H19 | 121.2° | 120.0° |
| C31 | C32 | C33 | 121.0° | 120.1° |
| C31 | C32 | C39 | 122.1° | 120.0° |
| C32 | C31 | H25 | 121.2° | 120.0° |
| C14 | C13 | C39 | 122.9° | 120.1° |
| C14 | C13 | N12 | 120.0° | 120.0° |
| C13 | C14 | H19 | 121.2° | 120.0° |
| C33 | C38 | C37 | 105.1° | 107.9° |
| C38 | C33 | C32 | 128.1° | 126.1° |
| C38 | C33 | N34 | 110.4° | 107.9° |
| C33 | C38 | H30 | 127.4° | 126.1° |
| C38 | C37 | N35 | 107.6° | 108.0° |
| C38 | C37 | H29 | 126.2° | 126.1° |
| C37 | C38 | H30 | 127.5° | 126.1° |
| C33 | C32 | C39 | 116.9° | 120.0° |
| C32 | C33 | N34 | 121.5° | 126.0° |
| C32 | C39 | C13 | 117.3° | 120.1° |
| C32 | C39 | H31 | 121.3° | 120.0° |
| C33 | N34 | N35 | 105.3° | 108.1° |
| C39 | C13 | N12 | 117.0° | 119.9° |
| C13 | C39 | H31 | 121.3° | 119.9° |
| C13 | N12 | C11 | 126.1° | 120.0° |
| C13 | N12 | H1 | 117.0° | 120.0° |
| C37 | N35 | N34 | 111.6° | 108.1° |
| C37 | N35 | C36 | 127.2° | 125.9° |
| N35 | C37 | H29 | 126.2° | 125.9° |
| O40 | C11 | N12 | 126.8° | 120.0° |
| O40 | C11 | C10 | 125.1° | 120.0° |
| N12 | C11 | C10 | 108.2° | 120.0° |
| C11 | N12 | H1 | 116.9° | 120.0° |
| C11 | C10 | O41 | 118.3° | 126.0° |
| C11 | C10 | C09 | 131.1° | 126.0° |
| N34 | N35 | C36 | 121.2° | 126.0° |
| N35 | C36 | H26 | 109.5° | 109.4° |
| N35 | C36 | H27 | 109.5° | 109.5° |
| N35 | C36 | H28 | 109.5° | 109.5° |
| O41 | C10 | C09 | 110.5° | 108.0° |
| C10 | O41 | C07 | 109.7° | 109.4° |
| C10 | C09 | C08 | 104.4° | 106.7° |
| C10 | C09 | H18 | 127.8° | 126.6° |
| O41 | C07 | C06 | 121.8° | 125.6° |
| O41 | C07 | C08 | 107.0° | 108.8° |
| C09 | C08 | C07 | 108.3° | 107.1° |
| C09 | C08 | H17 | 125.8° | 126.4° |
| C08 | C09 | H18 | 127.8° | 126.6° |
| C06 | C07 | C08 | 131.2° | 125.6° |
| C07 | C06 | N05 | 109.5° | 109.5° |
| C07 | C06 | H15 | 109.5° | 109.4° |
| C07 | C06 | H16 | 109.5° | 109.4° |
| C07 | C08 | H17 | 125.8° | 126.5° |
| C06 | N05 | C42 | 111.5° | 111.0° |
| C06 | N05 | C04 | 110.8° | 111.0° |
| N05 | C06 | H15 | 109.5° | 109.4° |
| N05 | C06 | H16 | 109.5° | 109.5° |
| N05 | C42 | C43 | 114.2° | 109.3° |
| C42 | N05 | C04 | 110.9° | 110.9° |
| N05 | C42 | H32 | 108.3° | 109.5° |
| N05 | C42 | H33 | 108.3° | 109.5° |
| C42 | C43 | N02 | 114.5° | 109.4° |
| C43 | C42 | H32 | 108.3° | 109.5° |
| C43 | C42 | H33 | 108.3° | 109.5° |
| C42 | C43 | H34 | 108.2° | 109.5° |
| C42 | C43 | H35 | 108.2° | 109.5° |
| N05 | C04 | C03 | 115.1° | 109.3° |
| N05 | C04 | H13 | 108.0° | 109.5° |
| N05 | C04 | H14 | 108.0° | 109.6° |
| C43 | N02 | C03 | 112.5° | 110.9° |
| C43 | N02 | C01 | 112.1° | 111.0° |
| N02 | C43 | H34 | 108.2° | 109.5° |
| N02 | C43 | H35 | 108.2° | 109.5° |
| C04 | C03 | N02 | 111.0° | 109.4° |
| C04 | C03 | H11 | 109.1° | 109.5° |
| C04 | C03 | H12 | 109.1° | 109.5° |
| C03 | C04 | H13 | 108.0° | 109.5° |
| C03 | C04 | H14 | 108.0° | 109.5° |
| C03 | N02 | C01 | 110.6° | 111.0° |
| N02 | C03 | H11 | 109.1° | 109.5° |
| N02 | C03 | H12 | 109.1° | 109.5° |
| N02 | C01 | H8 | 109.5° | 109.5° |
| N02 | C01 | H9 | 109.4° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.4° |
| H2 | C22 | H3 | 109.4° | 109.5° |
| H2 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.4° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.4° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.4° | 109.4° |
| H26 | C36 | H27 | 109.4° | 109.5° |
| H26 | C36 | H28 | 109.4° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H32 | C42 | H33 | 109.5° | 109.5° |
| H34 | C43 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | O27 | H6 | 119.5° | 119.9° |
| C29 | C28 | O27 | H7 | 119.5° | 120.0° |
| C29 | C28 | O27 | C26 | 177.9° | 180.0° |
| C29 | C28 | H6 | H7 | 121.5° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 119.9° |
| C28 | C29 | H22 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C28 | O27 | C26 | C25 | 1.2° | 0.2° |
| C28 | O27 | C26 | C18 | 177.8° | 180.0° |
| O27 | C28 | H6 | H7 | 121.5° | 120.0° |
| O27 | C28 | C29 | H22 | 180.0° | 60.1° |
| O27 | C28 | C29 | H23 | 60.0° | 180.0° |
| O27 | C28 | C29 | H24 | 60.0° | 60.0° |
| C24 | C25 | C26 | H21 | 180.0° | 179.9° |
| C24 | C25 | C26 | O27 | 179.3° | 180.0° |
| C25 | C24 | C20 | H5 | 180.0° | 180.0° |
| C24 | C25 | C26 | C18 | 0.3° | 0.2° |
| C25 | C24 | C20 | C21 | 179.7° | 180.0° |
| C25 | C24 | C20 | C19 | 0.6° | 0.3° |
| C25 | C26 | O27 | C18 | 179.0° | 179.7° |
| C26 | C25 | C24 | C20 | 0.3° | 0.0° |
| C25 | C26 | C18 | C19 | 0.7° | 0.2° |
| C25 | C26 | C18 | N17 | 178.5° | 180.0° |
| C26 | C25 | C24 | H5 | 179.7° | 180.0° |
| O27 | C26 | C18 | C19 | 179.7° | 180.0° |
| O27 | C26 | C18 | N17 | 2.4° | 0.3° |
| C26 | O27 | C28 | H6 | 58.4° | 60.1° |
| C26 | O27 | C28 | H7 | 62.6° | 60.0° |
| O27 | C26 | C25 | H21 | 0.7° | 0.0° |
| C24 | C20 | C21 | O23 | 0.1° | 174.6° |
| C24 | C20 | C21 | C19 | 179.1° | 179.7° |
| C24 | C20 | C19 | C18 | 0.9° | 0.3° |
| C24 | C20 | C21 | C22 | 179.3° | 5.4° |
| C24 | C20 | C19 | H20 | 179.1° | 179.7° |
| C20 | C24 | C25 | H21 | 179.7° | 180.0° |
| C26 | C18 | C19 | C20 | 1.0° | 0.0° |
| C26 | C18 | C19 | N17 | 177.9° | 179.7° |
| C26 | C18 | N17 | C16 | 60.9° | 145.6° |
| C26 | C18 | C19 | H20 | 179.0° | 180.0° |
| C18 | C26 | C25 | H21 | 179.7° | 179.7° |
| C26 | C18 | N17 | H38 | 119.1° | 34.5° |
| O23 | C21 | C20 | C22 | 179.2° | 180.0° |
| O23 | C21 | C20 | C19 | 179.0° | 5.1° |
| O23 | C21 | C22 | H2 | 0.0° | 175.0° |
| O23 | C21 | C22 | H3 | 120.0° | 65.0° |
| O23 | C21 | C22 | H4 | 120.0° | 55.0° |
| C21 | C20 | C19 | C18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H2 | 179.1° | 5.0° |
| C20 | C21 | C22 | H3 | 59.1° | 115.0° |
| C20 | C21 | C22 | H4 | 60.8° | 125.0° |
| C21 | C20 | C24 | H5 | 0.4° | 0.0° |
| C21 | C20 | C19 | H20 | 0.0° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | N17 | 178.9° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 174.9° |
| C19 | C20 | C24 | H5 | 179.4° | 179.8° |
| C19 | C18 | N17 | C16 | 117.1° | 34.2° |
| C19 | C18 | N17 | H38 | 63.0° | 145.8° |
| C18 | N17 | C16 | O30 | 1.0° | 5.6° |
| C18 | N17 | C16 | H38 | 180.0° | 179.9° |
| C18 | N17 | C16 | C15 | 177.3° | 174.4° |
| N17 | C18 | C19 | H20 | 1.1° | 0.3° |
| C21 | C22 | H2 | H3 | 120.0° | 120.0° |
| C21 | C22 | H2 | H4 | 120.0° | 120.0° |
| C21 | C22 | H3 | H4 | 120.0° | 119.9° |
| O30 | C16 | N17 | C15 | 178.3° | 180.0° |
| O30 | C16 | C15 | C31 | 167.8° | 0.0° |
| O30 | C16 | C15 | C14 | 13.8° | 179.8° |
| O30 | C16 | N17 | H38 | 178.9° | 174.4° |
| N17 | C16 | C15 | C31 | 13.9° | 180.0° |
| N17 | C16 | C15 | C14 | 164.5° | 0.2° |
| C16 | C15 | C31 | C14 | 178.3° | 179.7° |
| C16 | C15 | C31 | C32 | 179.0° | 180.0° |
| C16 | C15 | C14 | C13 | 178.2° | 179.7° |
| C16 | C15 | C14 | H19 | 1.8° | 0.2° |
| C16 | C15 | C31 | H25 | 1.0° | 0.3° |
| C15 | C16 | N17 | H38 | 2.8° | 5.6° |
| C15 | C31 | C32 | H25 | 180.0° | 179.8° |
| C31 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | C31 | C32 | C33 | 179.8° | 180.0° |
| C15 | C31 | C32 | C39 | 0.3° | 0.4° |
| C31 | C15 | C14 | H19 | 179.8° | 180.0° |
| C14 | C15 | C31 | C32 | 0.6° | 0.2° |
| C15 | C14 | C13 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | C39 | 1.5° | 0.0° |
| C15 | C14 | C13 | N12 | 177.5° | 179.8° |
| C14 | C15 | C31 | H25 | 179.4° | 180.0° |
| C31 | C32 | C33 | C38 | 7.5° | 179.7° |
| C31 | C32 | C33 | C39 | 179.9° | 179.6° |
| C31 | C32 | C33 | N34 | 172.0° | 0.0° |
| C31 | C32 | C39 | C13 | 0.9° | 0.4° |
| C31 | C32 | C39 | H31 | 179.1° | 179.6° |
| C14 | C13 | C39 | C32 | 1.8° | 0.2° |
| C14 | C13 | C39 | N12 | 176.1° | 179.8° |
| C14 | C13 | N12 | C11 | 20.7° | 35.4° |
| C14 | C13 | N12 | H1 | 159.3° | 144.5° |
| C14 | C13 | C39 | H31 | 178.2° | 179.8° |
| C33 | C38 | C37 | H30 | 180.0° | 180.0° |
| C38 | C33 | C32 | N34 | 179.5° | 179.7° |
| C38 | C33 | C32 | C39 | 172.6° | 0.7° |
| C33 | C38 | C37 | N35 | 0.3° | 0.2° |
| C38 | C33 | N34 | N35 | 0.0° | 0.2° |
| C33 | C38 | C37 | H29 | 179.7° | 179.8° |
| C37 | C38 | C33 | C32 | 179.4° | 180.0° |
| C37 | C38 | C33 | N34 | 0.2° | 0.2° |
| C38 | C37 | N35 | H29 | 180.0° | 180.0° |
| C38 | C37 | N35 | N34 | 0.3° | 0.1° |
| C38 | C37 | N35 | C36 | 179.8° | 180.0° |
| C33 | C32 | C39 | C13 | 179.0° | 180.0° |
| C32 | C33 | N34 | N35 | 179.6° | 180.0° |
| C33 | C32 | C31 | H25 | 0.2° | 0.2° |
| C32 | C33 | C38 | H30 | 0.6° | 0.0° |
| C33 | C32 | C39 | H31 | 1.0° | 0.0° |
| C39 | C32 | C33 | N34 | 7.9° | 179.6° |
| C32 | C39 | C13 | H31 | 180.0° | 180.0° |
| C32 | C39 | C13 | N12 | 177.9° | 180.0° |
| C39 | C32 | C31 | H25 | 179.7° | 179.8° |
| C33 | N34 | N35 | C37 | 0.2° | 0.1° |
| C33 | N34 | N35 | C36 | 179.9° | 179.8° |
| N34 | C33 | C38 | H30 | 179.9° | 179.7° |
| C39 | C13 | N12 | C11 | 163.0° | 144.9° |
| C39 | C13 | N12 | H1 | 17.0° | 35.2° |
| C39 | C13 | C14 | H19 | 178.5° | 180.0° |
| C13 | N12 | C11 | O40 | 1.7° | 4.4° |
| C13 | N12 | C11 | H1 | 180.0° | 179.9° |
| C13 | N12 | C11 | C10 | 177.5° | 175.6° |
| N12 | C13 | C14 | H19 | 2.5° | 0.2° |
| N12 | C13 | C39 | H31 | 2.1° | 0.1° |
| C37 | N35 | N34 | C36 | 179.9° | 179.9° |
| C37 | N35 | C36 | H26 | 179.8° | 90.1° |
| C37 | N35 | C36 | H27 | 60.2° | 150.0° |
| C37 | N35 | C36 | H28 | 59.8° | 29.9° |
| N35 | C37 | C38 | H30 | 179.7° | 179.8° |
| O40 | C11 | N12 | C10 | 179.2° | 179.9° |
| O40 | C11 | C10 | O41 | 163.8° | 180.0° |
| O40 | C11 | C10 | C09 | 14.3° | 0.3° |
| O40 | C11 | N12 | H1 | 178.3° | 175.5° |
| N12 | C11 | C10 | O41 | 15.4° | 0.1° |
| N12 | C11 | C10 | C09 | 166.5° | 179.8° |
| C11 | C10 | O41 | C09 | 178.5° | 179.7° |
| C11 | C10 | O41 | C07 | 179.3° | 179.7° |
| C11 | C10 | C09 | C08 | 179.4° | 179.7° |
| C10 | C11 | N12 | H1 | 2.5° | 4.5° |
| C11 | C10 | C09 | H18 | 0.6° | 0.2° |
| N34 | N35 | C36 | H26 | 0.0° | 90.1° |
| N34 | N35 | C36 | H27 | 120.0° | 29.9° |
| N34 | N35 | C36 | H28 | 120.0° | 150.0° |
| N34 | N35 | C37 | H29 | 179.7° | 179.9° |
| N35 | C36 | H26 | H27 | 120.0° | 120.0° |
| N35 | C36 | H26 | H28 | 120.0° | 120.0° |
| N35 | C36 | H27 | H28 | 120.0° | 120.0° |
| C36 | N35 | C37 | H29 | 0.2° | 0.0° |
| O41 | C10 | C09 | C08 | 1.2° | 0.0° |
| C10 | O41 | C07 | C06 | 178.8° | 179.9° |
| C10 | O41 | C07 | C08 | 0.1° | 0.0° |
| O41 | C10 | C09 | H18 | 178.8° | 179.9° |
| C09 | C10 | O41 | C07 | 0.8° | 0.0° |
| C10 | C09 | C08 | H18 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 1.2° | 0.0° |
| C10 | C09 | C08 | H17 | 178.8° | 180.0° |
| O41 | C07 | C08 | C09 | 0.7° | 0.0° |
| O41 | C07 | C06 | C08 | 178.5° | 179.9° |
| O41 | C07 | C06 | N05 | 42.2° | 89.9° |
| O41 | C07 | C06 | H15 | 162.2° | 30.1° |
| O41 | C07 | C06 | H16 | 77.9° | 150.1° |
| O41 | C07 | C08 | H17 | 179.3° | 180.0° |
| C09 | C08 | C07 | C06 | 179.4° | 179.9° |
| C09 | C08 | C07 | H17 | 180.0° | 180.0° |
| C07 | C06 | N05 | H15 | 120.0° | 119.9° |
| C07 | C06 | N05 | H16 | 120.0° | 120.0° |
| C07 | C06 | N05 | C42 | 152.3° | 170.0° |
| C07 | C06 | N05 | C04 | 83.7° | 66.1° |
| C07 | C06 | H15 | H16 | 120.0° | 119.9° |
| C06 | C07 | C08 | H17 | 0.6° | 0.1° |
| C08 | C07 | C06 | N05 | 136.4° | 90.0° |
| C08 | C07 | C06 | H15 | 16.4° | 150.1° |
| C08 | C07 | C06 | H16 | 103.6° | 30.1° |
| C07 | C08 | C09 | H18 | 178.9° | 179.9° |
| C06 | N05 | C42 | C04 | 124.0° | 123.9° |
| C06 | N05 | C42 | C43 | 170.2° | 176.8° |
| C06 | N05 | C04 | C03 | 175.0° | 176.8° |
| C06 | N05 | C04 | H13 | 64.1° | 63.3° |
| C06 | N05 | C04 | H14 | 54.2° | 56.8° |
| N05 | C06 | H15 | H16 | 120.0° | 120.1° |
| C06 | N05 | C42 | H32 | 49.5° | 56.8° |
| C06 | N05 | C42 | H33 | 69.1° | 63.3° |
| N05 | C42 | C43 | H32 | 120.7° | 120.0° |
| N05 | C42 | C43 | H33 | 120.7° | 119.9° |
| N05 | C42 | C43 | N02 | 47.4° | 58.4° |
| C42 | N05 | C04 | C03 | 50.6° | 59.3° |
| C42 | N05 | C04 | H13 | 171.4° | 60.6° |
| C42 | N05 | C04 | H14 | 70.2° | 179.3° |
| C42 | N05 | C06 | H15 | 87.7° | 70.1° |
| C42 | N05 | C06 | H16 | 32.3° | 50.0° |
| N05 | C42 | H32 | H33 | 117.8° | 120.1° |
| N05 | C42 | C43 | H34 | 168.1° | 178.4° |
| N05 | C42 | C43 | H35 | 73.4° | 61.6° |
| C43 | C42 | N05 | C04 | 46.2° | 59.3° |
| C42 | C43 | N02 | H34 | 120.8° | 119.9° |
| C42 | C43 | N02 | H35 | 120.8° | 120.0° |
| C42 | C43 | N02 | C03 | 49.8° | 59.3° |
| C42 | C43 | N02 | C01 | 175.1° | 176.8° |
| C43 | C42 | H32 | H33 | 117.9° | 120.0° |
| C42 | C43 | H34 | H35 | 117.7° | 120.0° |
| N05 | C04 | C03 | H13 | 120.8° | 119.9° |
| N05 | C04 | C03 | H14 | 120.8° | 120.1° |
| N05 | C04 | C03 | N02 | 53.9° | 58.4° |
| N05 | C04 | C03 | H11 | 66.3° | 61.6° |
| N05 | C04 | C03 | H12 | 174.1° | 178.4° |
| N05 | C04 | H13 | H14 | 117.4° | 120.1° |
| C04 | N05 | C06 | H15 | 36.4° | 53.8° |
| C04 | N05 | C06 | H16 | 156.3° | 173.9° |
| C04 | N05 | C42 | H32 | 74.5° | 179.3° |
| C04 | N05 | C42 | H33 | 166.9° | 60.6° |
| C43 | N02 | C03 | C04 | 51.8° | 59.3° |
| C43 | N02 | C03 | C01 | 126.1° | 123.9° |
| C43 | N02 | C01 | H8 | 180.0° | 59.9° |
| C43 | N02 | C01 | H9 | 60.0° | 180.0° |
| C43 | N02 | C01 | H10 | 60.0° | 60.0° |
| C43 | N02 | C03 | H11 | 68.4° | 60.6° |
| C43 | N02 | C03 | H12 | 172.0° | 179.3° |
| N02 | C43 | C42 | H32 | 73.3° | 178.4° |
| N02 | C43 | C42 | H33 | 168.0° | 61.5° |
| N02 | C43 | H34 | H35 | 117.7° | 120.1° |
| C04 | C03 | N02 | H11 | 120.2° | 120.0° |
| C04 | C03 | N02 | H12 | 120.2° | 120.0° |
| C04 | C03 | N02 | C01 | 177.9° | 176.8° |
| C04 | C03 | H11 | H12 | 119.3° | 120.0° |
| C03 | C04 | H13 | H14 | 117.4° | 120.1° |
| C03 | N02 | C01 | H8 | 53.7° | 63.8° |
| C03 | N02 | C01 | H9 | 173.7° | 56.2° |
| C03 | N02 | C01 | H10 | 66.3° | 176.2° |
| N02 | C03 | H11 | H12 | 119.3° | 120.0° |
| N02 | C03 | C04 | H13 | 174.7° | 61.5° |
| N02 | C03 | C04 | H14 | 67.0° | 178.4° |
| C03 | N02 | C43 | H34 | 170.6° | 179.3° |
| C03 | N02 | C43 | H35 | 71.0° | 60.7° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H10 | 120.0° | 119.9° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | N02 | C03 | H11 | 57.7° | 63.2° |
| C01 | N02 | C03 | H12 | 61.9° | 56.8° |
| C01 | N02 | C43 | H34 | 64.1° | 56.9° |
| C01 | N02 | C43 | H35 | 54.4° | 63.2° |
| H2 | C22 | H3 | H4 | 120.0° | 120.0° |
| H5 | C24 | C25 | H21 | 0.3° | 0.1° |
| H6 | C28 | C29 | H22 | 60.5° | 180.0° |
| H6 | C28 | C29 | H23 | 59.5° | 60.0° |
| H6 | C28 | C29 | H24 | 179.5° | 59.9° |
| H7 | C28 | C29 | H22 | 60.5° | 60.0° |
| H7 | C28 | C29 | H23 | 179.5° | 60.0° |
| H7 | C28 | C29 | H24 | 59.5° | 179.9° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | C04 | H13 | 54.5° | 178.5° |
| H11 | C03 | C04 | H14 | 172.8° | 58.4° |
| H12 | C03 | C04 | H13 | 65.1° | 58.5° |
| H12 | C03 | C04 | H14 | 53.3° | 61.6° |
| H17 | C08 | C09 | H18 | 1.2° | 0.1° |
| H22 | C29 | H23 | H24 | 120.0° | 120.1° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C37 | C38 | H30 | 0.2° | 0.2° |
| H32 | C42 | C43 | H34 | 47.4° | 61.6° |
| H32 | C42 | C43 | H35 | 165.9° | 58.4° |
| H33 | C42 | C43 | H34 | 71.2° | 58.4° |
| H33 | C42 | C43 | H35 | 47.3° | 178.4° |
