LTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C15 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | O18 | sing | 1.36Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | N21 | sing | 1.47Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.42Å | |
| C22 | N21 | sing | 1.48Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.47Å | |
| C24 | O25 | sing | 1.44Å | 1.47Å | |
| C26 | C23 | sing | 1.53Å | 1.47Å | |
| C26 | O25 | sing | 1.44Å | 1.47Å | |
| C02 | C38 | sing | 1.47Å | 1.52Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.46Å | |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| C06 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C07 | O28 | doub | 1.22Å | 1.20Å | |
| C09 | N08 | sing | 1.40Å | 1.44Å | |
| C11 | C12 | sing | 1.47Å | 1.53Å | |
| C12 | O14 | doub | 1.21Å | 1.19Å | |
| C19 | O18 | sing | 1.43Å | 1.41Å | |
| C23 | C27 | sing | 1.53Å | 1.42Å | |
| C27 | N21 | sing | 1.48Å | 1.43Å | |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.48Å | 1.52Å | |
| C30 | C37 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C36 | sing | 1.41Å | 1.38Å | Aromatic |
| C31 | N32 | doub | 1.32Å | 1.33Å | Aromatic |
| C34 | N33 | sing | 1.46Å | 1.45Å | |
| C35 | C36 | doub | 1.35Å | 1.38Å | Aromatic |
| C35 | N33 | sing | 1.35Å | 1.32Å | Aromatic |
| C38 | C39 | doub | 1.37Å | 1.38Å | Aromatic |
| C38 | O42 | sing | 1.35Å | 1.34Å | Aromatic |
| C39 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.35Å | 1.39Å | Aromatic |
| C41 | O42 | sing | 1.34Å | 1.35Å | Aromatic |
| N32 | N33 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| N03 | H30 | sing | 0.97Å | 1.00Å | |
| N08 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 118.7° | 119.8° |
| C10 | C09 | C17 | 121.6° | 120.0° |
| C10 | C09 | N08 | 118.1° | 120.0° |
| C09 | C10 | H1 | 120.6° | 120.1° |
| C10 | C11 | C15 | 120.5° | 119.9° |
| C10 | C11 | C12 | 118.7° | 120.0° |
| C11 | C10 | H1 | 120.6° | 120.2° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | O14 | 120.6° | 120.0° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.4° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C11 | C15 | C16 | 120.6° | 120.0° |
| C15 | C11 | C12 | 120.9° | 120.1° |
| C11 | C15 | H5 | 119.7° | 120.0° |
| C15 | C16 | C17 | 119.0° | 120.2° |
| C16 | C15 | H5 | 119.7° | 120.0° |
| C15 | C16 | H15 | 120.5° | 119.9° |
| C09 | C17 | C16 | 119.7° | 120.1° |
| C09 | C17 | O18 | 116.6° | 119.9° |
| C17 | C09 | N08 | 120.3° | 120.0° |
| C16 | C17 | O18 | 123.7° | 120.0° |
| C17 | C16 | H15 | 120.5° | 119.9° |
| C17 | O18 | C19 | 122.4° | 117.0° |
| C19 | C20 | N21 | 118.1° | 109.5° |
| C20 | C19 | O18 | 106.7° | 109.5° |
| C19 | C20 | H6 | 107.3° | 109.5° |
| C19 | C20 | H7 | 107.3° | 109.5° |
| C20 | C19 | H16 | 110.2° | 109.5° |
| C20 | C19 | H17 | 110.1° | 109.5° |
| C20 | N21 | C22 | 113.7° | 111.0° |
| C20 | N21 | C27 | 108.6° | 111.0° |
| N21 | C20 | H6 | 107.3° | 109.4° |
| N21 | C20 | H7 | 107.3° | 109.5° |
| C23 | C22 | N21 | 90.3° | 85.8° |
| C22 | C23 | C24 | 127.7° | 121.6° |
| C22 | C23 | C26 | 106.9° | 121.6° |
| C22 | C23 | C27 | 86.6° | 87.6° |
| C23 | C22 | H8 | 114.0° | 113.8° |
| C23 | C22 | H9 | 114.0° | 113.8° |
| C22 | N21 | C27 | 86.2° | 91.0° |
| N21 | C22 | H8 | 114.0° | 113.8° |
| N21 | C22 | H9 | 114.0° | 113.9° |
| C23 | C24 | O25 | 90.1° | 85.0° |
| C24 | C23 | C26 | 89.1° | 87.1° |
| C24 | C23 | C27 | 113.5° | 121.5° |
| C23 | C24 | H10 | 114.1° | 113.9° |
| C23 | C24 | H11 | 114.1° | 113.9° |
| C24 | O25 | C26 | 89.3° | 93.7° |
| O25 | C24 | H10 | 114.1° | 114.0° |
| O25 | C24 | H11 | 114.1° | 114.0° |
| C23 | C26 | O25 | 90.5° | 85.1° |
| C26 | C23 | C27 | 138.8° | 121.6° |
| C23 | C26 | H12 | 114.0° | 113.9° |
| C23 | C26 | H13 | 114.0° | 113.9° |
| O25 | C26 | H12 | 114.0° | 113.9° |
| O25 | C26 | H13 | 114.0° | 113.9° |
| C38 | C02 | N03 | 116.3° | 120.0° |
| C38 | C02 | O01 | 121.0° | 120.0° |
| C02 | C38 | C39 | 126.3° | 126.0° |
| C02 | C38 | O42 | 124.9° | 126.0° |
| N03 | C02 | O01 | 122.6° | 120.0° |
| C02 | N03 | C04 | 123.5° | 119.9° |
| C02 | N03 | H30 | 118.2° | 120.1° |
| C05 | C04 | C37 | 119.5° | 120.1° |
| C05 | C04 | N03 | 121.9° | 119.9° |
| C04 | C05 | C06 | 119.6° | 120.0° |
| C04 | C05 | H14 | 120.2° | 120.0° |
| C37 | C04 | N03 | 118.5° | 120.0° |
| C04 | C37 | C30 | 120.3° | 120.1° |
| C04 | C37 | H26 | 119.8° | 119.9° |
| C04 | N03 | H30 | 118.2° | 120.0° |
| C05 | C06 | C07 | 119.7° | 120.0° |
| C05 | C06 | C29 | 121.1° | 119.9° |
| C06 | C05 | H14 | 120.2° | 120.0° |
| C07 | C06 | C29 | 119.2° | 120.1° |
| C06 | C07 | N08 | 117.1° | 120.0° |
| C06 | C07 | O28 | 120.6° | 120.0° |
| C06 | C29 | C30 | 118.5° | 119.9° |
| C06 | C29 | H20 | 120.7° | 120.0° |
| N08 | C07 | O28 | 122.2° | 120.0° |
| C07 | N08 | C09 | 118.5° | 120.0° |
| C07 | N08 | H31 | 120.8° | 120.0° |
| C09 | N08 | H31 | 120.7° | 120.0° |
| C11 | C12 | O14 | 119.1° | 120.0° |
| O18 | C19 | H16 | 110.1° | 109.5° |
| O18 | C19 | H17 | 110.2° | 109.4° |
| C23 | C27 | N21 | 90.3° | 85.7° |
| C23 | C27 | H18 | 114.0° | 113.8° |
| C23 | C27 | H19 | 114.0° | 113.9° |
| N21 | C27 | H18 | 114.0° | 113.8° |
| N21 | C27 | H19 | 114.1° | 113.8° |
| C29 | C30 | C31 | 122.1° | 120.0° |
| C29 | C30 | C37 | 121.0° | 120.0° |
| C30 | C29 | H20 | 120.7° | 120.1° |
| C31 | C30 | C37 | 116.9° | 120.0° |
| C30 | C31 | C36 | 128.8° | 126.0° |
| C30 | C31 | N32 | 122.7° | 126.1° |
| C30 | C37 | H26 | 119.9° | 120.0° |
| C36 | C31 | N32 | 108.5° | 107.9° |
| C31 | C36 | C35 | 106.7° | 107.8° |
| C31 | C36 | H25 | 126.6° | 126.1° |
| C31 | N32 | N33 | 107.3° | 108.1° |
| C34 | N33 | C35 | 127.0° | 125.9° |
| C34 | N33 | N32 | 123.1° | 126.0° |
| N33 | C34 | H21 | 109.5° | 109.4° |
| N33 | C34 | H22 | 109.5° | 109.5° |
| N33 | C34 | H23 | 109.5° | 109.5° |
| C36 | C35 | N33 | 107.5° | 108.0° |
| C36 | C35 | H24 | 126.3° | 126.1° |
| C35 | C36 | H25 | 126.6° | 126.1° |
| C35 | N33 | N32 | 109.9° | 108.1° |
| N33 | C35 | H24 | 126.3° | 126.0° |
| C39 | C38 | O42 | 108.7° | 108.0° |
| C38 | C39 | C40 | 106.5° | 106.7° |
| C38 | C39 | H27 | 126.7° | 126.6° |
| C38 | O42 | C41 | 109.6° | 109.4° |
| C39 | C40 | C41 | 107.4° | 107.1° |
| C40 | C39 | H27 | 126.8° | 126.7° |
| C39 | C40 | H28 | 126.3° | 126.4° |
| C40 | C41 | O42 | 107.7° | 108.8° |
| C41 | C40 | H28 | 126.3° | 126.5° |
| C40 | C41 | H29 | 126.1° | 125.6° |
| O42 | C41 | H29 | 126.1° | 125.6° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 113.1° |
| H10 | C24 | H11 | 109.4° | 113.2° |
| H12 | C26 | H13 | 109.5° | 113.2° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 113.1° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.4° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C15 | 0.1° | 0.0° |
| C10 | C09 | C17 | N08 | 179.1° | 179.9° |
| C10 | C09 | C17 | C16 | 0.6° | 0.0° |
| C10 | C09 | C17 | O18 | 179.8° | 179.9° |
| C10 | C09 | N08 | C07 | 114.4° | 27.8° |
| C09 | C10 | C11 | C12 | 179.5° | 180.0° |
| C10 | C09 | N08 | H31 | 65.6° | 152.2° |
| C10 | C11 | C12 | C13 | 2.6° | 180.0° |
| C10 | C11 | C15 | C12 | 179.4° | 179.9° |
| C10 | C11 | C15 | C16 | 0.2° | 0.0° |
| C11 | C10 | C09 | C17 | 0.1° | 0.0° |
| C11 | C10 | C09 | N08 | 179.0° | 179.9° |
| C10 | C11 | C12 | O14 | 176.4° | 0.0° |
| C10 | C11 | C15 | H5 | 179.8° | 180.0° |
| C13 | C12 | C11 | C15 | 178.0° | 0.0° |
| C13 | C12 | C11 | O14 | 179.1° | 179.9° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C11 | C15 | C16 | H5 | 180.0° | 179.9° |
| C11 | C15 | C16 | C17 | 0.8° | 0.0° |
| C15 | C11 | C12 | O14 | 3.0° | 179.9° |
| C15 | C11 | C10 | H1 | 179.9° | 179.7° |
| C11 | C15 | C16 | H15 | 179.2° | 180.0° |
| C15 | C16 | C17 | C09 | 1.0° | 0.0° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | O18 | 179.9° | 180.0° |
| C16 | C15 | C11 | C12 | 179.1° | 180.0° |
| C09 | C17 | C16 | O18 | 179.1° | 179.9° |
| C17 | C09 | N08 | C07 | 64.7° | 152.2° |
| C09 | C17 | O18 | C19 | 171.0° | 174.8° |
| C17 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C17 | C16 | H15 | 179.0° | 180.0° |
| C17 | C09 | N08 | H31 | 115.3° | 27.9° |
| C16 | C17 | C09 | N08 | 178.4° | 179.9° |
| C16 | C17 | O18 | C19 | 9.9° | 5.3° |
| C17 | C16 | C15 | H5 | 179.2° | 180.0° |
| C17 | O18 | C19 | C20 | 144.4° | 175.0° |
| O18 | C17 | C09 | N08 | 0.8° | 0.0° |
| O18 | C17 | C16 | H15 | 0.1° | 0.1° |
| C17 | O18 | C19 | H16 | 96.1° | 64.9° |
| C17 | O18 | C19 | H17 | 24.8° | 55.0° |
| C19 | C20 | N21 | H6 | 121.2° | 120.0° |
| C19 | C20 | N21 | H7 | 121.2° | 120.0° |
| C19 | C20 | N21 | C22 | 88.8° | 173.0° |
| C20 | C19 | O18 | H16 | 119.6° | 120.0° |
| C20 | C19 | O18 | H17 | 119.5° | 120.0° |
| C19 | C20 | N21 | C27 | 177.1° | 87.4° |
| C19 | C20 | H6 | H7 | 116.1° | 120.0° |
| C20 | C19 | H16 | H17 | 121.3° | 120.0° |
| C20 | N21 | C22 | C23 | 128.0° | 136.8° |
| C20 | N21 | C22 | C27 | 108.7° | 113.0° |
| N21 | C20 | C19 | O18 | 67.7° | 65.6° |
| C20 | N21 | C27 | C23 | 133.0° | 136.8° |
| N21 | C20 | H6 | H7 | 116.1° | 120.0° |
| C20 | N21 | C22 | H8 | 11.4° | 22.6° |
| C20 | N21 | C22 | H9 | 115.4° | 109.0° |
| N21 | C20 | C19 | H16 | 51.8° | 174.4° |
| N21 | C20 | C19 | H17 | 172.7° | 54.4° |
| C20 | N21 | C27 | H18 | 110.4° | 109.0° |
| C20 | N21 | C27 | H19 | 16.4° | 22.6° |
| C23 | C22 | N21 | H8 | 116.6° | 114.2° |
| C23 | C22 | N21 | H9 | 116.6° | 114.2° |
| C22 | C23 | C24 | C26 | 110.8° | 125.7° |
| C22 | C23 | C24 | C27 | 104.8° | 108.6° |
| C22 | C23 | C24 | O25 | 118.9° | 103.8° |
| C22 | C23 | C26 | C27 | 104.7° | 108.6° |
| C22 | C23 | C26 | O25 | 137.5° | 103.8° |
| C23 | C22 | N21 | C27 | 19.2° | 23.8° |
| C23 | C22 | H8 | H9 | 129.1° | 131.9° |
| C22 | C23 | C24 | H10 | 2.3° | 10.3° |
| C22 | C23 | C24 | H11 | 124.5° | 142.2° |
| C22 | C23 | C26 | H12 | 105.9° | 142.2° |
| C22 | C23 | C26 | H13 | 20.8° | 10.3° |
| C22 | C23 | C27 | H18 | 135.9° | 137.2° |
| C22 | C23 | C27 | H19 | 97.3° | 91.1° |
| N21 | C22 | C23 | C24 | 136.7° | 149.1° |
| N21 | C22 | C23 | C26 | 121.0° | 103.0° |
| C22 | N21 | C20 | H6 | 32.5° | 53.0° |
| C22 | N21 | C20 | H7 | 150.0° | 67.1° |
| N21 | C22 | H8 | H9 | 129.1° | 132.0° |
| C22 | N21 | C27 | H18 | 135.8° | 138.0° |
| C22 | N21 | C27 | H19 | 97.4° | 90.5° |
| C23 | C24 | O25 | H10 | 116.6° | 114.0° |
| C23 | C24 | O25 | H11 | 116.6° | 114.0° |
| C24 | C23 | C26 | C27 | 125.9° | 125.7° |
| C23 | C24 | O25 | C26 | 8.1° | 23.3° |
| C24 | C23 | C27 | N21 | 149.3° | 149.1° |
| C24 | C23 | C22 | H8 | 20.0° | 34.9° |
| C24 | C23 | C22 | H9 | 106.7° | 96.6° |
| C23 | C24 | H10 | H11 | 129.2° | 132.3° |
| C24 | C23 | C26 | H12 | 124.8° | 92.1° |
| C24 | C23 | C26 | H13 | 108.5° | 136.0° |
| C24 | C23 | C27 | H18 | 94.1° | 96.7° |
| C24 | C23 | C27 | H19 | 32.7° | 34.9° |
| O25 | C24 | C23 | C27 | 136.3° | 147.6° |
| O25 | C24 | H10 | H11 | 129.2° | 132.4° |
| C24 | O25 | C26 | H12 | 124.8° | 90.7° |
| C24 | O25 | C26 | H13 | 108.6° | 137.3° |
| C23 | C26 | O25 | H12 | 116.7° | 114.0° |
| C23 | C26 | O25 | H13 | 116.7° | 114.0° |
| C26 | C23 | C27 | N21 | 92.7° | 103.1° |
| C26 | C23 | C22 | H8 | 122.4° | 142.8° |
| C26 | C23 | C22 | H9 | 4.4° | 11.2° |
| C26 | C23 | C24 | H10 | 108.5° | 136.0° |
| C26 | C23 | C24 | H11 | 124.7° | 92.1° |
| C23 | C26 | H12 | H13 | 129.0° | 132.3° |
| C26 | C23 | C27 | H18 | 23.9° | 11.1° |
| C26 | C23 | C27 | H19 | 150.6° | 142.8° |
| O25 | C26 | C23 | C27 | 117.8° | 147.6° |
| C26 | O25 | C24 | H10 | 108.5° | 137.3° |
| C26 | O25 | C24 | H11 | 124.7° | 90.7° |
| O25 | C26 | H12 | H13 | 129.0° | 132.3° |
| C38 | C02 | N03 | O01 | 178.6° | 180.0° |
| C38 | C02 | N03 | C04 | 177.6° | 175.5° |
| C02 | C38 | C39 | O42 | 178.2° | 179.6° |
| C02 | C38 | C39 | C40 | 178.9° | 179.9° |
| C02 | C38 | O42 | C41 | 178.9° | 179.9° |
| C02 | C38 | C39 | H27 | 1.1° | 0.1° |
| C38 | C02 | N03 | H30 | 2.4° | 4.4° |
| C02 | N03 | C04 | C05 | 23.1° | 144.0° |
| C02 | N03 | C04 | C37 | 160.3° | 36.3° |
| C02 | N03 | C04 | H30 | 180.0° | 180.0° |
| N03 | C02 | C38 | C39 | 176.7° | 175.0° |
| N03 | C02 | C38 | O42 | 5.4° | 5.5° |
| O01 | C02 | N03 | C04 | 3.8° | 4.5° |
| O01 | C02 | C38 | C39 | 1.9° | 5.0° |
| O01 | C02 | C38 | O42 | 176.0° | 174.5° |
| O01 | C02 | N03 | H30 | 176.2° | 175.6° |
| C05 | C04 | C37 | N03 | 176.6° | 179.7° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 178.5° | 180.0° |
| C04 | C05 | C06 | C29 | 0.1° | 0.0° |
| C05 | C04 | C37 | C30 | 1.5° | 0.0° |
| C05 | C04 | C37 | H26 | 178.5° | 180.0° |
| C05 | C04 | N03 | H30 | 156.9° | 35.9° |
| C37 | C04 | C05 | C06 | 1.1° | 0.0° |
| C04 | C37 | C30 | C29 | 0.8° | 0.0° |
| C04 | C37 | C30 | C31 | 179.4° | 180.0° |
| C04 | C37 | C30 | H26 | 180.0° | 180.0° |
| C37 | C04 | C05 | H14 | 178.9° | 180.0° |
| C37 | C04 | N03 | H30 | 19.7° | 143.8° |
| N03 | C04 | C05 | C06 | 177.6° | 179.7° |
| N03 | C04 | C37 | C30 | 178.1° | 179.7° |
| N03 | C04 | C05 | H14 | 2.4° | 0.3° |
| N03 | C04 | C37 | H26 | 1.9° | 0.3° |
| C05 | C06 | C07 | C29 | 178.6° | 180.0° |
| C05 | C06 | C07 | N08 | 171.8° | 5.4° |
| C05 | C06 | C07 | O28 | 8.3° | 174.6° |
| C05 | C06 | C29 | C30 | 0.6° | 0.0° |
| C05 | C06 | C29 | H20 | 179.4° | 180.0° |
| C06 | C07 | N08 | O28 | 179.9° | 180.0° |
| C06 | C07 | N08 | C09 | 178.6° | 175.6° |
| C07 | C06 | C29 | C30 | 179.2° | 179.9° |
| C07 | C06 | C05 | H14 | 1.5° | 0.0° |
| C07 | C06 | C29 | H20 | 0.8° | 0.1° |
| C06 | C07 | N08 | H31 | 1.4° | 4.5° |
| C29 | C06 | C07 | N08 | 6.8° | 174.5° |
| C29 | C06 | C07 | O28 | 173.2° | 5.5° |
| C06 | C29 | C30 | H20 | 180.0° | 180.0° |
| C06 | C29 | C30 | C31 | 179.5° | 180.0° |
| C06 | C29 | C30 | C37 | 0.3° | 0.0° |
| C29 | C06 | C05 | H14 | 180.0° | 180.0° |
| C07 | N08 | C09 | H31 | 180.0° | 179.9° |
| O28 | C07 | N08 | C09 | 1.5° | 4.4° |
| O28 | C07 | N08 | H31 | 178.5° | 175.6° |
| N08 | C09 | C10 | H1 | 1.0° | 0.3° |
| C12 | C11 | C10 | H1 | 0.5° | 0.2° |
| C11 | C12 | C13 | H2 | 179.0° | 90.0° |
| C11 | C12 | C13 | H3 | 59.0° | 150.0° |
| C11 | C12 | C13 | H4 | 60.9° | 30.0° |
| C12 | C11 | C15 | H5 | 0.9° | 0.1° |
| O14 | C12 | C13 | H2 | 0.0° | 89.9° |
| O14 | C12 | C13 | H3 | 120.0° | 30.1° |
| O14 | C12 | C13 | H4 | 120.0° | 150.0° |
| O18 | C19 | C20 | H6 | 53.5° | 174.5° |
| O18 | C19 | C20 | H7 | 171.0° | 54.4° |
| O18 | C19 | H16 | H17 | 121.3° | 119.9° |
| C23 | C27 | N21 | H18 | 116.6° | 114.2° |
| C23 | C27 | N21 | H19 | 116.6° | 114.3° |
| C27 | C23 | C22 | H8 | 97.3° | 91.1° |
| C27 | C23 | C22 | H9 | 135.9° | 137.3° |
| C27 | C23 | C24 | H10 | 107.1° | 98.3° |
| C27 | C23 | C24 | H11 | 19.7° | 33.6° |
| C27 | C23 | C26 | H12 | 1.2° | 33.6° |
| C27 | C23 | C26 | H13 | 125.5° | 98.4° |
| C23 | C27 | H18 | H19 | 129.1° | 132.0° |
| C27 | N21 | C20 | H6 | 61.7° | 152.7° |
| C27 | N21 | C20 | H7 | 55.8° | 32.6° |
| C27 | N21 | C22 | H8 | 97.4° | 90.4° |
| C27 | N21 | C22 | H9 | 135.9° | 138.0° |
| N21 | C27 | H18 | H19 | 129.1° | 131.9° |
| C29 | C30 | C31 | C37 | 179.8° | 180.0° |
| C29 | C30 | C31 | C36 | 12.2° | 179.9° |
| C29 | C30 | C31 | N32 | 167.7° | 0.3° |
| C29 | C30 | C37 | H26 | 179.2° | 180.0° |
| C30 | C31 | C36 | N32 | 179.9° | 179.7° |
| C30 | C31 | C36 | C35 | 179.7° | 180.0° |
| C30 | C31 | N32 | N33 | 179.7° | 180.0° |
| C31 | C30 | C29 | H20 | 0.5° | 0.0° |
| C30 | C31 | C36 | H25 | 0.3° | 0.1° |
| C31 | C30 | C37 | H26 | 0.6° | 0.0° |
| C37 | C30 | C31 | C36 | 167.6° | 0.0° |
| C37 | C30 | C31 | N32 | 12.5° | 179.7° |
| C37 | C30 | C29 | H20 | 179.7° | 180.0° |
| C31 | C36 | C35 | H25 | 180.0° | 179.9° |
| C31 | C36 | C35 | N33 | 0.3° | 0.2° |
| C36 | C31 | N32 | N33 | 0.4° | 0.3° |
| C31 | C36 | C35 | H24 | 179.8° | 179.9° |
| C31 | N32 | N33 | C34 | 179.8° | 179.8° |
| N32 | C31 | C36 | C35 | 0.4° | 0.3° |
| C31 | N32 | N33 | C35 | 0.2° | 0.2° |
| N32 | C31 | C36 | H25 | 179.6° | 179.8° |
| C34 | N33 | C35 | C36 | 180.0° | 180.0° |
| C34 | N33 | C35 | N32 | 179.9° | 180.0° |
| N33 | C34 | H21 | H22 | 120.0° | 120.0° |
| N33 | C34 | H21 | H23 | 120.0° | 120.0° |
| N33 | C34 | H22 | H23 | 120.0° | 120.0° |
| C34 | N33 | C35 | H24 | 0.0° | 0.1° |
| C36 | C35 | N33 | H24 | 180.0° | 179.9° |
| C36 | C35 | N33 | N32 | 0.1° | 0.0° |
| C35 | N33 | C34 | H21 | 179.9° | 90.0° |
| C35 | N33 | C34 | H22 | 59.9° | 150.0° |
| C35 | N33 | C34 | H23 | 60.1° | 30.0° |
| N33 | C35 | C36 | H25 | 179.8° | 179.9° |
| C38 | C39 | C40 | H27 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.5° | 0.0° |
| C39 | C38 | O42 | C41 | 0.7° | 0.4° |
| C38 | C39 | C40 | H28 | 179.4° | 179.9° |
| O42 | C38 | C39 | C40 | 0.7° | 0.3° |
| C38 | O42 | C41 | C40 | 0.3° | 0.4° |
| O42 | C38 | C39 | H27 | 179.3° | 179.8° |
| C38 | O42 | C41 | H29 | 179.7° | 179.9° |
| C39 | C40 | C41 | H28 | 180.0° | 179.9° |
| C39 | C40 | C41 | O42 | 0.1° | 0.3° |
| C39 | C40 | C41 | H29 | 179.9° | 179.9° |
| C40 | C41 | O42 | H29 | 180.0° | 179.7° |
| C41 | C40 | C39 | H27 | 179.5° | 179.9° |
| O42 | C41 | C40 | H28 | 179.8° | 179.9° |
| N32 | N33 | C34 | H21 | 0.0° | 90.0° |
| N32 | N33 | C34 | H22 | 120.0° | 29.9° |
| N32 | N33 | C34 | H23 | 120.0° | 150.0° |
| N32 | N33 | C35 | H24 | 180.0° | 179.9° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | C16 | H15 | 0.8° | 0.1° |
| H6 | C20 | C19 | H16 | 173.1° | 54.5° |
| H6 | C20 | C19 | H17 | 66.1° | 65.5° |
| H7 | C20 | C19 | H16 | 69.4° | 65.6° |
| H7 | C20 | C19 | H17 | 51.5° | 174.4° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H24 | C35 | C36 | H25 | 0.2° | 0.0° |
| H27 | C39 | C40 | H28 | 0.5° | 0.1° |
| H28 | C40 | C41 | H29 | 0.1° | 0.2° |
