9WD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C31 | sing | 1.51Å | 1.53Å | |
| O | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N | sing | 1.35Å | 1.35Å | |
| N | C28 | sing | 1.47Å | 1.47Å | |
| N | C29 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| CL | C09 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | doub | 1.35Å | 1.37Å | Aromatic |
| C18 | N02 | sing | 1.35Å | 1.38Å | Aromatic |
| C30 | C26 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C21 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | N02 | sing | 1.40Å | 1.42Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| N02 | N03 | sing | 1.40Å | 1.36Å | Aromatic |
| C25 | N05 | sing | 1.47Å | 1.45Å | |
| C09 | C10 | doub | 1.37Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | N03 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.36Å | 1.42Å | Aromatic |
| N05 | C22 | sing | 1.37Å | 1.41Å | Aromatic |
| N05 | C24 | sing | 1.35Å | 1.34Å | Aromatic |
| C08 | C03 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | C06 | sing | 1.51Å | 1.54Å | |
| C21 | O02 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | doub | 1.35Å | 1.38Å | Aromatic |
| C24 | N04 | doub | 1.31Å | 1.32Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | N04 | sing | 1.34Å | 1.39Å | Aromatic |
| C03 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| O01 | C01 | sing | 1.43Å | 1.42Å | |
| C05 | C04 | sing | 1.36Å | 1.41Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C05 | H17 | sing | 1.08Å | 1.08Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| O02 | H21 | sing | 0.97Å | 0.95Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C31 | O | 117.9° | 120.0° |
| C | C31 | N | 119.4° | 120.0° |
| C31 | C | H31 | 109.5° | 109.5° |
| C31 | C | H32 | 109.5° | 109.5° |
| C31 | C | H33 | 109.5° | 109.4° |
| O | C31 | N | 122.7° | 120.0° |
| C31 | N | C28 | 125.0° | 120.6° |
| C31 | N | C29 | 123.3° | 120.6° |
| C28 | N | C29 | 111.7° | 118.7° |
| N | C28 | C27 | 109.1° | 108.7° |
| N | C28 | H27 | 109.6° | 109.5° |
| N | C28 | H28 | 109.6° | 109.7° |
| N | C29 | C30 | 108.6° | 108.8° |
| N | C29 | H29 | 109.7° | 109.6° |
| N | C29 | H30 | 109.7° | 109.6° |
| C28 | C27 | C26 | 112.5° | 109.3° |
| C28 | C27 | H9 | 108.7° | 109.5° |
| C28 | C27 | H10 | 108.7° | 109.5° |
| C27 | C28 | H27 | 109.5° | 109.6° |
| C27 | C28 | H28 | 109.6° | 109.6° |
| C29 | C30 | C26 | 111.7° | 109.3° |
| C29 | C30 | H11 | 108.9° | 109.5° |
| C29 | C30 | H12 | 108.9° | 109.5° |
| C30 | C29 | H29 | 109.7° | 109.6° |
| C30 | C29 | H30 | 109.7° | 109.5° |
| CL | C09 | C10 | 120.5° | 120.9° |
| CL | C09 | C08 | 120.8° | 120.9° |
| C16 | C17 | C12 | 120.4° | 120.1° |
| C17 | C16 | C15 | 120.6° | 119.9° |
| C17 | C16 | H5 | 119.7° | 120.0° |
| C16 | C17 | H19 | 119.8° | 119.9° |
| C17 | C12 | C11 | 119.8° | 119.9° |
| C17 | C12 | C13 | 119.4° | 120.1° |
| C12 | C17 | H19 | 119.8° | 120.0° |
| C16 | C15 | N02 | 119.8° | 120.1° |
| C16 | C15 | C14 | 118.8° | 119.9° |
| C15 | C16 | H5 | 119.7° | 120.1° |
| C27 | C26 | C30 | 110.2° | 109.5° |
| C27 | C26 | C21 | 112.2° | 109.4° |
| C26 | C27 | H9 | 108.7° | 109.5° |
| C26 | C27 | H10 | 108.7° | 109.5° |
| C27 | C26 | H26 | 106.1° | 109.5° |
| C19 | C18 | N02 | 107.9° | 107.7° |
| C18 | C19 | C20 | 103.9° | 107.9° |
| C18 | C19 | H6 | 128.0° | 126.0° |
| C19 | C18 | H20 | 126.1° | 126.2° |
| C18 | N02 | C15 | 128.1° | 126.0° |
| C18 | N02 | N03 | 110.6° | 107.8° |
| N02 | C18 | H20 | 126.0° | 126.1° |
| C30 | C26 | C21 | 115.5° | 109.4° |
| C26 | C30 | H11 | 108.9° | 109.5° |
| C26 | C30 | H12 | 108.9° | 109.5° |
| C30 | C26 | H26 | 106.1° | 109.5° |
| C19 | C20 | N03 | 112.3° | 108.3° |
| C20 | C19 | H6 | 128.1° | 126.0° |
| C19 | C20 | H7 | 123.8° | 125.9° |
| C26 | C21 | C22 | 113.4° | 109.5° |
| C26 | C21 | C06 | 112.2° | 109.5° |
| C26 | C21 | O02 | 103.1° | 109.4° |
| C21 | C26 | H26 | 106.0° | 109.4° |
| C12 | C11 | C10 | 113.4° | 109.4° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C12 | C11 | H1 | 108.5° | 109.5° |
| C12 | C11 | H2 | 108.5° | 109.5° |
| C11 | C10 | C09 | 122.4° | 120.0° |
| C11 | C10 | C02 | 119.3° | 120.1° |
| C10 | C11 | H1 | 108.5° | 109.4° |
| C10 | C11 | H2 | 108.5° | 109.5° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C12 | C13 | H3 | 119.8° | 120.0° |
| N02 | C15 | C14 | 121.5° | 120.0° |
| C15 | N02 | N03 | 121.3° | 126.1° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C15 | C14 | H4 | 119.7° | 120.1° |
| N02 | N03 | C20 | 105.3° | 108.2° |
| C25 | N05 | C22 | 130.7° | 126.4° |
| C25 | N05 | C24 | 123.6° | 126.4° |
| N05 | C25 | H23 | 109.5° | 109.5° |
| N05 | C25 | H24 | 109.5° | 109.4° |
| N05 | C25 | H25 | 109.5° | 109.4° |
| C10 | C09 | C08 | 118.8° | 118.2° |
| C09 | C10 | C02 | 118.3° | 119.9° |
| C09 | C08 | C07 | 121.3° | 121.3° |
| C09 | C08 | C03 | 118.7° | 119.1° |
| N03 | C20 | H7 | 123.8° | 125.9° |
| C14 | C13 | H3 | 119.8° | 120.0° |
| C13 | C14 | H4 | 119.8° | 120.0° |
| C10 | C02 | O01 | 118.6° | 119.2° |
| C10 | C02 | N01 | 122.9° | 121.6° |
| C08 | C07 | C06 | 121.4° | 119.7° |
| C07 | C08 | C03 | 120.0° | 119.6° |
| C08 | C07 | H18 | 119.3° | 120.2° |
| C07 | C06 | C21 | 123.2° | 119.6° |
| C07 | C06 | C05 | 117.9° | 120.8° |
| C06 | C07 | H18 | 119.3° | 120.1° |
| C22 | N05 | C24 | 105.7° | 107.2° |
| N05 | C22 | C21 | 127.1° | 126.6° |
| N05 | C22 | C23 | 105.0° | 106.8° |
| N05 | C24 | N04 | 115.1° | 108.7° |
| N05 | C24 | H8 | 122.5° | 125.7° |
| C08 | C03 | N01 | 122.0° | 119.9° |
| C08 | C03 | C04 | 118.5° | 119.1° |
| C22 | C21 | C06 | 110.1° | 109.5° |
| C22 | C21 | O02 | 108.0° | 109.5° |
| C21 | C22 | C23 | 127.9° | 126.6° |
| C06 | C21 | O02 | 109.8° | 109.5° |
| C21 | C06 | C05 | 118.9° | 119.6° |
| C21 | O02 | H21 | 109.5° | 114.0° |
| C22 | C23 | N04 | 111.0° | 108.0° |
| C22 | C23 | H22 | 124.5° | 125.9° |
| C24 | N04 | C23 | 103.2° | 109.3° |
| N04 | C24 | H8 | 122.5° | 125.6° |
| C06 | C05 | C04 | 121.0° | 121.0° |
| C06 | C05 | H17 | 119.5° | 119.5° |
| O01 | C02 | N01 | 118.5° | 119.2° |
| C02 | O01 | C01 | 119.2° | 117.0° |
| C02 | N01 | C03 | 119.3° | 121.3° |
| N04 | C23 | H22 | 124.5° | 126.1° |
| N01 | C03 | C04 | 119.4° | 121.0° |
| C03 | C04 | C05 | 121.1° | 119.8° |
| C03 | C04 | H16 | 119.4° | 120.1° |
| O01 | C01 | H13 | 109.5° | 109.4° |
| O01 | C01 | H14 | 109.5° | 109.5° |
| O01 | C01 | H15 | 109.5° | 109.5° |
| C05 | C04 | H16 | 119.4° | 120.1° |
| C04 | C05 | H17 | 119.5° | 119.5° |
| H1 | C11 | H2 | 109.4° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.4° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H27 | C28 | H28 | 109.4° | 109.6° |
| H29 | C29 | H30 | 109.4° | 109.7° |
| H31 | C | H32 | 109.4° | 109.5° |
| H31 | C | H33 | 109.5° | 109.4° |
| H32 | C | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C31 | O | N | 179.3° | 179.9° |
| C | C31 | N | C28 | 0.8° | 174.9° |
| C | C31 | N | C29 | 180.0° | 5.1° |
| C31 | C | H31 | H32 | 120.0° | 120.1° |
| C31 | C | H31 | H33 | 120.0° | 119.9° |
| C31 | C | H32 | H33 | 120.0° | 120.0° |
| O | C31 | N | C28 | 179.9° | 5.2° |
| O | C31 | N | C29 | 0.7° | 174.8° |
| O | C31 | C | H31 | 0.0° | 175.4° |
| O | C31 | C | H32 | 120.0° | 55.4° |
| O | C31 | C | H33 | 120.0° | 64.7° |
| C31 | N | C28 | C29 | 179.2° | 179.9° |
| C31 | N | C28 | C27 | 116.7° | 126.4° |
| C31 | N | C29 | C30 | 115.4° | 126.4° |
| C31 | N | C28 | H27 | 123.4° | 6.7° |
| C31 | N | C28 | H28 | 3.3° | 113.7° |
| C31 | N | C29 | H29 | 4.4° | 113.8° |
| C31 | N | C29 | H30 | 124.7° | 6.6° |
| N | C31 | C | H31 | 179.3° | 4.5° |
| N | C31 | C | H32 | 59.3° | 124.5° |
| N | C31 | C | H33 | 60.7° | 115.4° |
| N | C28 | C27 | H27 | 120.0° | 119.7° |
| N | C28 | C27 | H28 | 120.0° | 119.9° |
| C28 | N | C29 | C30 | 65.3° | 53.7° |
| N | C28 | C27 | C26 | 54.9° | 54.7° |
| N | C28 | C27 | H9 | 175.4° | 65.3° |
| N | C28 | C27 | H10 | 65.5° | 174.6° |
| N | C28 | H27 | H28 | 120.2° | 120.4° |
| C28 | N | C29 | H29 | 174.8° | 66.2° |
| C28 | N | C29 | H30 | 54.5° | 173.4° |
| C29 | N | C28 | C27 | 64.1° | 53.7° |
| N | C29 | C30 | H29 | 119.9° | 119.8° |
| N | C29 | C30 | H30 | 119.9° | 119.8° |
| N | C29 | C30 | C26 | 57.2° | 54.7° |
| N | C29 | C30 | H11 | 63.1° | 174.6° |
| N | C29 | C30 | H12 | 177.6° | 65.3° |
| C29 | N | C28 | H27 | 55.9° | 173.4° |
| C29 | N | C28 | H28 | 176.0° | 66.2° |
| N | C29 | H29 | H30 | 120.4° | 120.4° |
| C28 | C27 | C26 | H9 | 120.5° | 120.0° |
| C28 | C27 | C26 | H10 | 120.4° | 119.9° |
| C28 | C27 | C26 | C30 | 48.3° | 61.4° |
| C28 | C27 | C26 | C21 | 178.5° | 178.6° |
| C28 | C27 | H9 | H10 | 118.6° | 120.1° |
| C28 | C27 | C26 | H26 | 66.2° | 58.6° |
| C27 | C28 | H27 | H28 | 120.1° | 120.4° |
| C29 | C30 | C26 | C27 | 49.4° | 61.4° |
| C29 | C30 | C26 | H11 | 120.3° | 119.9° |
| C29 | C30 | C26 | H12 | 120.4° | 120.0° |
| C29 | C30 | C26 | C21 | 177.8° | 178.6° |
| C29 | C30 | H11 | H12 | 119.0° | 120.1° |
| C29 | C30 | C26 | H26 | 65.1° | 58.7° |
| C30 | C29 | H29 | H30 | 120.4° | 120.3° |
| CL | C09 | C10 | C11 | 0.2° | 0.3° |
| CL | C09 | C10 | C08 | 180.0° | 179.5° |
| CL | C09 | C10 | C02 | 179.9° | 180.0° |
| CL | C09 | C08 | C07 | 0.1° | 0.2° |
| CL | C09 | C08 | C03 | 180.0° | 180.0° |
| C16 | C17 | C12 | H19 | 180.0° | 179.6° |
| C17 | C16 | C15 | H5 | 180.0° | 179.8° |
| C16 | C17 | C12 | C11 | 180.0° | 179.8° |
| C16 | C17 | C12 | C13 | 0.1° | 0.5° |
| C17 | C16 | C15 | N02 | 179.9° | 179.8° |
| C17 | C16 | C15 | C14 | 0.0° | 0.2° |
| C12 | C17 | C16 | C15 | 0.1° | 0.4° |
| C17 | C12 | C11 | C13 | 179.9° | 179.7° |
| C17 | C12 | C11 | C10 | 170.2° | 90.3° |
| C17 | C12 | C13 | C14 | 0.1° | 0.2° |
| C17 | C12 | C11 | H1 | 69.2° | 149.8° |
| C17 | C12 | C11 | H2 | 49.6° | 29.7° |
| C17 | C12 | C13 | H3 | 179.9° | 179.7° |
| C12 | C17 | C16 | H5 | 179.9° | 179.8° |
| C16 | C15 | N02 | C18 | 5.7° | 0.6° |
| C16 | C15 | N02 | C14 | 179.9° | 180.0° |
| C16 | C15 | N02 | N03 | 173.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C15 | C16 | C17 | H19 | 179.9° | 180.0° |
| C27 | C26 | C30 | C21 | 128.4° | 120.0° |
| C27 | C26 | C30 | H26 | 114.5° | 120.1° |
| C27 | C26 | C21 | H26 | 115.4° | 120.0° |
| C27 | C26 | C21 | C22 | 41.7° | 64.6° |
| C27 | C26 | C21 | C06 | 167.2° | 175.4° |
| C27 | C26 | C21 | O02 | 74.8° | 55.4° |
| C26 | C27 | H9 | H10 | 118.6° | 120.1° |
| C27 | C26 | C30 | H11 | 71.0° | 178.7° |
| C27 | C26 | C30 | H12 | 169.7° | 58.6° |
| C26 | C27 | C28 | H27 | 65.0° | 174.4° |
| C26 | C27 | C28 | H28 | 174.9° | 65.2° |
| C19 | C18 | N02 | H20 | 180.0° | 179.8° |
| C18 | C19 | C20 | H6 | 180.0° | 179.8° |
| C19 | C18 | N02 | C15 | 179.8° | 179.9° |
| C19 | C18 | N02 | N03 | 0.3° | 0.3° |
| C18 | C19 | C20 | N03 | 0.2° | 0.2° |
| C18 | C19 | C20 | H7 | 179.8° | 179.8° |
| N02 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | N02 | C15 | N03 | 179.6° | 179.5° |
| C18 | N02 | C15 | C14 | 174.4° | 179.4° |
| C18 | N02 | N03 | C20 | 0.1° | 0.4° |
| N02 | C18 | C19 | H6 | 179.7° | 179.7° |
| C30 | C26 | C21 | H26 | 117.2° | 120.0° |
| C30 | C26 | C21 | C22 | 169.1° | 175.3° |
| C30 | C26 | C21 | C06 | 65.4° | 55.3° |
| C30 | C26 | C21 | O02 | 52.6° | 64.7° |
| C30 | C26 | C27 | H9 | 168.7° | 58.6° |
| C30 | C26 | C27 | H10 | 72.2° | 178.6° |
| C26 | C30 | H11 | H12 | 119.0° | 120.1° |
| C26 | C30 | C29 | H29 | 177.1° | 65.2° |
| C26 | C30 | C29 | H30 | 62.7° | 174.5° |
| C19 | C20 | N03 | N02 | 0.0° | 0.4° |
| C19 | C20 | N03 | H7 | 180.0° | 180.0° |
| C20 | C19 | C18 | H20 | 179.8° | 179.9° |
| C26 | C21 | C06 | C07 | 25.7° | 143.1° |
| C26 | C21 | C22 | N05 | 63.4° | 168.4° |
| C26 | C21 | C22 | C06 | 126.6° | 120.0° |
| C26 | C21 | C22 | O02 | 113.6° | 120.0° |
| C26 | C21 | C06 | O02 | 114.0° | 120.0° |
| C26 | C21 | C22 | C23 | 116.0° | 11.3° |
| C26 | C21 | C06 | C05 | 153.8° | 36.9° |
| C21 | C26 | C27 | H9 | 61.1° | 61.4° |
| C21 | C26 | C27 | H10 | 58.1° | 58.7° |
| C21 | C26 | C30 | H11 | 57.4° | 58.7° |
| C21 | C26 | C30 | H12 | 61.9° | 61.4° |
| C26 | C21 | O02 | H21 | 180.0° | 60.0° |
| C12 | C11 | C10 | H1 | 120.6° | 120.0° |
| C12 | C11 | C10 | H2 | 120.6° | 120.0° |
| C12 | C11 | C10 | C09 | 101.9° | 90.3° |
| C11 | C12 | C13 | C14 | 179.9° | 179.9° |
| C12 | C11 | C10 | C02 | 78.4° | 90.0° |
| C12 | C11 | H1 | H2 | 118.2° | 120.1° |
| C11 | C12 | C13 | H3 | 0.1° | 0.0° |
| C11 | C12 | C17 | H19 | 0.0° | 0.2° |
| C10 | C11 | C12 | C13 | 9.7° | 90.0° |
| C11 | C10 | C09 | C02 | 179.7° | 179.7° |
| C11 | C10 | C09 | C08 | 179.8° | 179.8° |
| C11 | C10 | C02 | O01 | 0.3° | 0.0° |
| C11 | C10 | C02 | N01 | 179.9° | 179.9° |
| C10 | C11 | H1 | H2 | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | H1 | 110.9° | 30.0° |
| C13 | C12 | C11 | H2 | 130.3° | 150.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.9° |
| C13 | C12 | C17 | H19 | 179.9° | 179.9° |
| C15 | N02 | N03 | C20 | 179.8° | 180.0° |
| N02 | C15 | C14 | C13 | 179.9° | 180.0° |
| N02 | C15 | C14 | H4 | 0.1° | 0.1° |
| N02 | C15 | C16 | H5 | 0.1° | 0.0° |
| C15 | N02 | C18 | H20 | 0.1° | 0.3° |
| C14 | C15 | N02 | N03 | 6.1° | 0.1° |
| C15 | C14 | C13 | H4 | 180.0° | 179.9° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| N02 | N03 | C20 | H7 | 180.0° | 179.6° |
| N03 | N02 | C18 | H20 | 179.7° | 179.8° |
| C25 | N05 | C22 | C24 | 179.9° | 179.8° |
| C25 | N05 | C22 | C21 | 0.3° | 0.1° |
| C25 | N05 | C22 | C23 | 179.9° | 179.9° |
| C25 | N05 | C24 | N04 | 180.0° | 179.8° |
| C25 | N05 | C24 | H8 | 0.0° | 0.1° |
| N05 | C25 | H23 | H24 | 120.0° | 120.0° |
| N05 | C25 | H23 | H25 | 120.0° | 120.0° |
| N05 | C25 | H24 | H25 | 120.0° | 119.9° |
| C10 | C09 | C08 | C07 | 180.0° | 179.7° |
| C10 | C09 | C08 | C03 | 0.0° | 0.5° |
| C09 | C10 | C02 | O01 | 180.0° | 179.7° |
| C09 | C10 | C02 | N01 | 0.2° | 0.3° |
| C09 | C10 | C11 | H1 | 18.7° | 29.7° |
| C09 | C10 | C11 | H2 | 137.5° | 149.7° |
| C08 | C09 | C10 | C02 | 0.1° | 0.6° |
| C09 | C08 | C07 | C03 | 180.0° | 179.7° |
| C09 | C08 | C07 | C06 | 179.8° | 179.7° |
| C09 | C08 | C03 | N01 | 0.0° | 0.3° |
| C09 | C08 | C03 | C04 | 179.9° | 179.7° |
| C09 | C08 | C07 | H18 | 0.3° | 0.2° |
| N03 | C20 | C19 | H6 | 179.8° | 180.0° |
| C10 | C02 | O01 | N01 | 179.8° | 180.0° |
| C10 | C02 | N01 | C03 | 0.2° | 0.0° |
| C10 | C02 | O01 | C01 | 175.7° | 179.9° |
| C02 | C10 | C11 | H1 | 161.0° | 150.0° |
| C02 | C10 | C11 | H2 | 42.2° | 30.0° |
| C08 | C07 | C06 | H18 | 180.0° | 179.9° |
| C08 | C07 | C06 | C21 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.1° |
| C07 | C08 | C03 | N01 | 180.0° | 180.0° |
| C07 | C08 | C03 | C04 | 0.0° | 0.1° |
| C06 | C07 | C08 | C03 | 0.2° | 0.1° |
| C07 | C06 | C21 | C22 | 101.6° | 96.9° |
| C07 | C06 | C21 | C05 | 179.5° | 180.0° |
| C07 | C06 | C21 | O02 | 139.7° | 23.1° |
| C07 | C06 | C05 | C04 | 0.3° | 0.1° |
| C07 | C06 | C05 | H17 | 179.7° | 179.9° |
| N05 | C22 | C21 | C23 | 179.4° | 179.7° |
| N05 | C22 | C21 | C06 | 63.2° | 71.6° |
| N05 | C22 | C21 | O02 | 177.0° | 48.4° |
| C22 | N05 | C24 | N04 | 0.1° | 0.4° |
| N05 | C22 | C23 | N04 | 0.2° | 0.2° |
| C22 | N05 | C24 | H8 | 180.0° | 179.8° |
| N05 | C22 | C23 | H22 | 179.8° | 179.7° |
| C22 | N05 | C25 | H23 | 180.0° | 89.9° |
| C22 | N05 | C25 | H24 | 60.0° | 150.0° |
| C22 | N05 | C25 | H25 | 60.0° | 30.1° |
| C24 | N05 | C22 | C21 | 179.7° | 179.9° |
| C24 | N05 | C22 | C23 | 0.2° | 0.4° |
| N05 | C24 | N04 | H8 | 180.0° | 179.8° |
| N05 | C24 | N04 | C23 | 0.1° | 0.3° |
| C24 | N05 | C25 | H23 | 0.1° | 89.8° |
| C24 | N05 | C25 | H24 | 119.9° | 30.3° |
| C24 | N05 | C25 | H25 | 120.0° | 150.2° |
| C08 | C03 | N01 | C02 | 0.1° | 0.0° |
| C08 | C03 | N01 | C04 | 179.9° | 179.9° |
| C08 | C03 | C04 | C05 | 0.0° | 0.1° |
| C08 | C03 | C04 | H16 | 180.0° | 180.0° |
| C03 | C08 | C07 | H18 | 179.8° | 180.0° |
| C22 | C21 | C06 | O02 | 118.7° | 120.0° |
| C22 | C21 | C06 | C05 | 78.9° | 83.1° |
| C21 | C22 | C23 | N04 | 179.8° | 180.0° |
| C22 | C21 | O02 | H21 | 59.7° | 180.0° |
| C21 | C22 | C23 | H22 | 0.2° | 0.0° |
| C22 | C21 | C26 | H26 | 73.7° | 55.3° |
| C06 | C21 | C22 | C23 | 117.3° | 108.7° |
| C21 | C06 | C05 | C04 | 179.8° | 180.0° |
| C21 | C06 | C05 | H17 | 0.2° | 0.0° |
| C21 | C06 | C07 | H18 | 0.1° | 0.1° |
| C06 | C21 | O02 | H21 | 60.2° | 60.0° |
| C06 | C21 | C26 | H26 | 51.8° | 64.7° |
| O02 | C21 | C22 | C23 | 2.5° | 131.3° |
| O02 | C21 | C06 | C05 | 39.8° | 156.9° |
| O02 | C21 | C26 | H26 | 169.8° | 175.3° |
| C22 | C23 | N04 | C24 | 0.2° | 0.0° |
| C22 | C23 | N04 | H22 | 180.0° | 179.9° |
| C24 | N04 | C23 | H22 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C04 | H17 | 180.0° | 180.0° |
| C06 | C05 | C04 | H16 | 179.9° | 179.9° |
| C05 | C06 | C07 | H18 | 179.7° | 179.9° |
| O01 | C02 | N01 | C03 | 180.0° | 180.0° |
| C02 | O01 | C01 | H13 | 180.0° | 60.1° |
| C02 | O01 | C01 | H14 | 60.0° | 59.9° |
| C02 | O01 | C01 | H15 | 60.0° | 180.0° |
| C02 | N01 | C03 | C04 | 180.0° | 180.0° |
| N01 | C02 | O01 | C01 | 4.0° | 0.1° |
| C23 | N04 | C24 | H8 | 179.9° | 179.9° |
| N01 | C03 | C04 | C05 | 180.0° | 180.0° |
| N01 | C03 | C04 | H16 | 0.1° | 0.1° |
| C03 | C04 | C05 | H16 | 180.0° | 179.9° |
| C03 | C04 | C05 | H17 | 179.9° | 179.9° |
| O01 | C01 | H13 | H14 | 120.0° | 120.0° |
| O01 | C01 | H13 | H15 | 120.0° | 120.0° |
| O01 | C01 | H14 | H15 | 120.0° | 120.1° |
| H3 | C13 | C14 | H4 | 0.0° | 0.1° |
| H5 | C16 | C17 | H19 | 0.1° | 0.2° |
| H6 | C19 | C20 | H7 | 0.2° | 0.0° |
| H6 | C19 | C18 | H20 | 0.3° | 0.1° |
| H9 | C27 | C26 | H26 | 54.3° | 178.6° |
| H9 | C27 | C28 | H27 | 55.4° | 54.4° |
| H9 | C27 | C28 | H28 | 64.7° | 174.8° |
| H10 | C27 | C26 | H26 | 173.4° | 61.3° |
| H10 | C27 | C28 | H27 | 174.5° | 65.7° |
| H10 | C27 | C28 | H28 | 54.4° | 54.7° |
| H11 | C30 | C26 | H26 | 174.5° | 61.3° |
| H11 | C30 | C29 | H29 | 56.8° | 54.7° |
| H11 | C30 | C29 | H30 | 177.0° | 65.6° |
| H12 | C30 | C26 | H26 | 55.2° | 178.7° |
| H12 | C30 | C29 | H29 | 62.5° | 174.9° |
| H12 | C30 | C29 | H30 | 57.7° | 54.5° |
| H13 | C01 | H14 | H15 | 120.0° | 119.9° |
| H16 | C04 | C05 | H17 | 0.1° | 0.1° |
| H23 | C25 | H24 | H25 | 120.0° | 120.1° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
