UTI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.43Å | 1.41Å | |
| O13 | C11 | sing | 1.36Å | 1.41Å | |
| C11 | N10 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.32Å | 1.32Å | Aromatic |
| C16 | O15 | sing | 1.43Å | 1.41Å | |
| C12 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | O15 | sing | 1.36Å | 1.39Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| C20 | O24 | sing | 1.36Å | 1.40Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| O40 | C06 | sing | 1.43Å | 1.37Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| O24 | C25 | sing | 1.43Å | 1.41Å | |
| C06 | C17 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | N02 | sing | 1.47Å | 1.47Å | |
| C19 | F26 | sing | 1.35Å | 1.35Å | |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C17 | C27 | sing | 1.51Å | 1.52Å | |
| N02 | C03 | sing | 1.47Å | 1.45Å | |
| C36 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.41Å | 1.42Å | Aromatic |
| BR37 | C33 | sing | 1.89Å | 1.93Å | |
| C34 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.36Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C30 | sing | 1.42Å | 1.36Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | O38 | sing | 1.36Å | 1.38Å | |
| C28 | N29 | doub | 1.31Å | 1.32Å | Aromatic |
| C30 | N29 | sing | 1.34Å | 1.35Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.43Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.39Å | Aromatic |
| O38 | C39 | sing | 1.43Å | 1.41Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C31 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C34 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| O40 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O13 | C11 | 113.1° | 117.0° |
| O13 | C14 | H6 | 109.5° | 109.5° |
| O13 | C14 | H7 | 109.4° | 109.4° |
| O13 | C14 | H8 | 109.4° | 109.4° |
| O13 | C11 | N10 | 118.6° | 119.7° |
| O13 | C11 | C12 | 120.8° | 119.7° |
| N10 | C11 | C12 | 120.7° | 120.7° |
| C11 | N10 | C09 | 121.6° | 121.6° |
| C11 | C12 | C07 | 118.7° | 119.3° |
| C11 | C12 | H1 | 120.6° | 120.4° |
| N10 | C09 | O15 | 114.6° | 119.7° |
| N10 | C09 | C08 | 123.0° | 120.7° |
| C16 | O15 | C09 | 109.5° | 117.0° |
| O15 | C16 | H22 | 109.5° | 109.5° |
| O15 | C16 | H23 | 109.5° | 109.5° |
| O15 | C16 | H24 | 109.5° | 109.5° |
| C12 | C07 | C08 | 120.1° | 118.6° |
| C12 | C07 | C06 | 118.2° | 120.7° |
| C07 | C12 | H1 | 120.7° | 120.4° |
| C21 | C22 | C23 | 120.1° | 120.1° |
| C22 | C21 | C20 | 118.9° | 120.0° |
| C22 | C21 | H2 | 120.5° | 120.0° |
| C21 | C22 | H3 | 119.9° | 119.9° |
| C22 | C23 | C18 | 121.1° | 120.1° |
| C23 | C22 | H3 | 119.9° | 120.0° |
| C22 | C23 | H9 | 119.4° | 119.9° |
| O15 | C09 | C08 | 122.4° | 119.6° |
| C09 | C08 | C07 | 116.0° | 119.2° |
| C09 | C08 | H21 | 122.0° | 120.3° |
| C21 | C20 | O24 | 120.6° | 120.1° |
| C21 | C20 | C19 | 120.9° | 119.8° |
| C20 | C21 | H2 | 120.6° | 120.0° |
| C23 | C18 | C19 | 118.3° | 120.0° |
| C23 | C18 | C17 | 122.1° | 120.0° |
| C18 | C23 | H9 | 119.5° | 120.0° |
| C08 | C07 | C06 | 121.6° | 120.7° |
| C07 | C08 | H21 | 122.0° | 120.4° |
| C07 | C06 | O40 | 107.5° | 109.5° |
| C07 | C06 | C17 | 113.5° | 109.5° |
| C07 | C06 | C05 | 107.3° | 109.4° |
| O24 | C20 | C19 | 118.5° | 120.1° |
| C20 | O24 | C25 | 111.7° | 117.0° |
| C20 | C19 | C18 | 120.6° | 119.9° |
| C20 | C19 | F26 | 118.4° | 120.0° |
| O40 | C06 | C17 | 107.6° | 109.5° |
| O40 | C06 | C05 | 107.2° | 109.5° |
| C06 | O40 | H34 | 109.5° | 114.0° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C18 | C19 | F26 | 121.0° | 120.0° |
| C18 | C17 | C06 | 113.8° | 109.4° |
| C18 | C17 | C27 | 103.1° | 109.5° |
| C18 | C17 | H25 | 110.5° | 109.4° |
| O24 | C25 | H26 | 109.5° | 109.5° |
| O24 | C25 | H27 | 109.5° | 109.4° |
| O24 | C25 | H28 | 109.4° | 109.4° |
| C17 | C06 | C05 | 113.4° | 109.5° |
| C06 | C17 | C27 | 107.9° | 109.4° |
| C06 | C17 | H25 | 110.5° | 109.5° |
| C06 | C05 | C04 | 108.1° | 109.5° |
| C06 | C05 | H19 | 109.8° | 109.5° |
| C06 | C05 | H20 | 109.8° | 109.5° |
| C05 | C04 | N02 | 111.7° | 109.5° |
| C05 | C04 | H17 | 108.9° | 109.5° |
| C05 | C04 | H18 | 108.9° | 109.5° |
| C04 | C05 | H19 | 109.8° | 109.5° |
| C04 | C05 | H20 | 109.8° | 109.4° |
| C04 | N02 | C01 | 109.0° | 111.0° |
| C04 | N02 | C03 | 108.7° | 111.0° |
| N02 | C04 | H17 | 108.9° | 109.4° |
| N02 | C04 | H18 | 108.9° | 109.5° |
| C01 | N02 | C03 | 108.3° | 111.0° |
| N02 | C01 | H11 | 109.5° | 109.4° |
| N02 | C01 | H12 | 109.5° | 109.5° |
| N02 | C01 | H13 | 109.5° | 109.5° |
| C17 | C27 | C36 | 118.8° | 120.1° |
| C17 | C27 | C28 | 123.1° | 120.0° |
| C27 | C17 | H25 | 110.8° | 109.5° |
| N02 | C03 | H14 | 109.5° | 109.4° |
| N02 | C03 | H15 | 109.5° | 109.5° |
| N02 | C03 | H16 | 109.5° | 109.5° |
| C27 | C36 | C35 | 118.8° | 118.3° |
| C36 | C27 | C28 | 118.1° | 119.9° |
| C27 | C36 | H29 | 120.6° | 120.8° |
| C36 | C35 | C34 | 119.7° | 121.3° |
| C36 | C35 | C30 | 119.8° | 119.1° |
| C35 | C36 | H29 | 120.6° | 120.9° |
| BR37 | C33 | C34 | 117.8° | 119.6° |
| BR37 | C33 | C32 | 121.4° | 119.6° |
| C35 | C34 | C33 | 119.4° | 119.7° |
| C34 | C35 | C30 | 120.5° | 119.6° |
| C35 | C34 | H10 | 120.3° | 120.1° |
| C34 | C33 | C32 | 120.8° | 120.8° |
| C33 | C34 | H10 | 120.3° | 120.2° |
| C27 | C28 | O38 | 120.1° | 119.2° |
| C27 | C28 | N29 | 121.5° | 121.6° |
| C35 | C30 | N29 | 120.1° | 119.9° |
| C35 | C30 | C31 | 120.2° | 119.1° |
| C33 | C32 | C31 | 119.5° | 121.1° |
| C33 | C32 | H5 | 120.3° | 119.5° |
| O38 | C28 | N29 | 118.3° | 119.2° |
| C28 | O38 | C39 | 109.7° | 117.0° |
| C28 | N29 | C30 | 121.7° | 121.2° |
| N29 | C30 | C31 | 119.7° | 121.0° |
| C30 | C31 | C32 | 119.5° | 119.8° |
| C30 | C31 | H4 | 120.3° | 120.1° |
| C32 | C31 | H4 | 120.2° | 120.1° |
| C31 | C32 | H5 | 120.3° | 119.5° |
| O38 | C39 | H30 | 109.5° | 109.5° |
| O38 | C39 | H31 | 109.5° | 109.5° |
| O38 | C39 | H32 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.6° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.4° | 109.5° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.4° | 109.5° |
| H22 | C16 | H24 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.4° | 109.5° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.4° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O13 | C11 | N10 | 15.5° | 0.1° |
| C14 | O13 | C11 | C12 | 164.1° | 179.7° |
| O13 | C14 | H6 | H7 | 120.0° | 119.9° |
| O13 | C14 | H6 | H8 | 120.0° | 120.0° |
| O13 | C14 | H7 | H8 | 120.0° | 119.9° |
| O13 | C11 | N10 | C12 | 179.6° | 179.7° |
| O13 | C11 | N10 | C09 | 179.9° | 179.8° |
| O13 | C11 | C12 | C07 | 179.1° | 179.8° |
| O13 | C11 | C12 | H1 | 0.9° | 0.3° |
| C11 | O13 | C14 | H6 | 180.0° | 180.0° |
| C11 | O13 | C14 | H7 | 60.0° | 60.0° |
| C11 | O13 | C14 | H8 | 60.0° | 59.9° |
| N10 | C11 | C12 | C07 | 1.3° | 0.0° |
| C11 | N10 | C09 | O15 | 179.9° | 180.0° |
| C11 | N10 | C09 | C08 | 0.2° | 0.0° |
| N10 | C11 | C12 | H1 | 178.6° | 179.9° |
| C12 | C11 | N10 | C09 | 0.5° | 0.0° |
| C11 | C12 | C07 | H1 | 180.0° | 179.9° |
| C11 | C12 | C07 | C08 | 1.9° | 0.1° |
| C11 | C12 | C07 | C06 | 179.3° | 180.0° |
| N10 | C09 | O15 | C16 | 6.2° | 0.0° |
| N10 | C09 | O15 | C08 | 179.8° | 179.9° |
| N10 | C09 | C08 | C07 | 0.7° | 0.0° |
| N10 | C09 | C08 | H21 | 179.3° | 180.0° |
| C16 | O15 | C09 | C08 | 173.5° | 180.0° |
| O15 | C16 | H22 | H23 | 120.0° | 120.0° |
| O15 | C16 | H22 | H24 | 120.0° | 120.0° |
| O15 | C16 | H23 | H24 | 120.0° | 120.0° |
| C12 | C07 | C08 | C09 | 1.5° | 0.1° |
| C12 | C07 | C08 | C06 | 177.3° | 179.9° |
| C12 | C07 | C06 | O40 | 19.4° | 30.0° |
| C12 | C07 | C06 | C17 | 99.4° | 150.0° |
| C12 | C07 | C06 | C05 | 134.5° | 90.1° |
| C12 | C07 | C08 | H21 | 178.4° | 180.0° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 180.0° | 179.6° |
| C21 | C22 | C23 | C18 | 1.3° | 0.0° |
| C22 | C21 | C20 | O24 | 179.8° | 179.7° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C22 | C23 | H9 | 178.7° | 179.9° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C22 | C23 | C18 | H9 | 180.0° | 179.9° |
| C22 | C23 | C18 | C19 | 1.9° | 0.0° |
| C22 | C23 | C18 | C17 | 179.0° | 180.0° |
| C23 | C22 | C21 | H2 | 179.5° | 179.6° |
| O15 | C09 | C08 | C07 | 179.6° | 180.0° |
| O15 | C09 | C08 | H21 | 0.4° | 0.0° |
| C09 | O15 | C16 | H22 | 180.0° | 60.0° |
| C09 | O15 | C16 | H23 | 60.0° | 60.0° |
| C09 | O15 | C16 | H24 | 60.0° | 180.0° |
| C09 | C08 | C07 | H21 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 178.8° | 180.0° |
| C21 | C20 | O24 | C19 | 179.5° | 179.8° |
| C21 | C20 | C19 | C18 | 1.0° | 0.1° |
| C21 | C20 | O24 | C25 | 127.3° | 0.1° |
| C21 | C20 | C19 | F26 | 179.8° | 180.0° |
| C20 | C21 | C22 | H3 | 179.6° | 180.0° |
| C23 | C18 | C19 | C20 | 1.8° | 0.0° |
| C23 | C18 | C19 | C17 | 177.1° | 180.0° |
| C23 | C18 | C17 | C06 | 25.6° | 64.4° |
| C23 | C18 | C19 | F26 | 179.0° | 180.0° |
| C23 | C18 | C17 | C27 | 91.0° | 55.6° |
| C18 | C23 | C22 | H3 | 178.7° | 180.0° |
| C23 | C18 | C17 | H25 | 150.6° | 175.6° |
| C08 | C07 | C06 | O40 | 158.0° | 150.0° |
| C08 | C07 | C06 | C17 | 83.2° | 29.9° |
| C08 | C07 | C06 | C05 | 42.9° | 90.0° |
| C08 | C07 | C12 | H1 | 178.1° | 179.9° |
| C07 | C06 | O40 | C17 | 122.5° | 120.0° |
| C07 | C06 | O40 | C05 | 115.1° | 120.0° |
| C07 | C06 | C17 | C18 | 52.0° | 53.0° |
| C07 | C06 | C17 | C05 | 122.8° | 120.0° |
| C07 | C06 | C05 | C04 | 69.3° | 173.2° |
| C07 | C06 | C17 | C27 | 165.7° | 173.0° |
| C06 | C07 | C12 | H1 | 0.7° | 0.1° |
| C07 | C06 | C05 | H19 | 170.9° | 53.1° |
| C07 | C06 | C05 | H20 | 50.5° | 66.9° |
| C06 | C07 | C08 | H21 | 1.1° | 0.1° |
| C07 | C06 | C17 | H25 | 73.0° | 67.0° |
| C07 | C06 | O40 | H34 | 180.0° | 44.3° |
| O24 | C20 | C19 | C18 | 179.5° | 179.7° |
| O24 | C20 | C19 | F26 | 0.3° | 0.2° |
| O24 | C20 | C21 | H2 | 0.2° | 0.1° |
| C20 | O24 | C25 | H26 | 180.0° | 60.0° |
| C20 | O24 | C25 | H27 | 60.0° | 60.0° |
| C20 | O24 | C25 | H28 | 60.0° | 180.0° |
| C20 | C19 | C18 | F26 | 179.2° | 179.9° |
| C20 | C19 | C18 | C17 | 178.9° | 180.0° |
| C19 | C20 | O24 | C25 | 52.2° | 179.7° |
| C19 | C20 | C21 | H2 | 179.7° | 179.7° |
| O40 | C06 | C17 | C18 | 66.8° | 67.0° |
| O40 | C06 | C17 | C05 | 118.4° | 120.0° |
| O40 | C06 | C05 | C04 | 45.9° | 53.1° |
| O40 | C06 | C17 | C27 | 47.0° | 52.9° |
| O40 | C06 | C05 | H19 | 73.9° | 66.9° |
| O40 | C06 | C05 | H20 | 165.7° | 173.1° |
| O40 | C06 | C17 | H25 | 168.2° | 173.0° |
| C19 | C18 | C17 | C06 | 157.4° | 115.6° |
| C19 | C18 | C17 | C27 | 86.0° | 124.4° |
| C19 | C18 | C23 | H9 | 178.1° | 179.9° |
| C19 | C18 | C17 | H25 | 32.4° | 4.4° |
| C18 | C17 | C06 | C27 | 113.7° | 120.0° |
| C18 | C17 | C06 | H25 | 125.0° | 120.0° |
| C18 | C17 | C06 | C05 | 174.8° | 172.9° |
| C17 | C18 | C19 | F26 | 1.9° | 0.0° |
| C18 | C17 | C27 | H25 | 118.2° | 120.0° |
| C18 | C17 | C27 | C36 | 30.2° | 63.4° |
| C18 | C17 | C27 | C28 | 148.8° | 117.4° |
| C17 | C18 | C23 | H9 | 1.0° | 0.1° |
| O24 | C25 | H26 | H27 | 120.0° | 120.0° |
| O24 | C25 | H26 | H28 | 120.0° | 120.0° |
| O24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C17 | C06 | C05 | C04 | 164.6° | 66.9° |
| C06 | C17 | C27 | H25 | 121.1° | 120.0° |
| C06 | C17 | C27 | C36 | 90.4° | 56.5° |
| C06 | C17 | C27 | C28 | 90.5° | 122.6° |
| C17 | C06 | C05 | H19 | 44.8° | 173.1° |
| C17 | C06 | C05 | H20 | 75.6° | 53.1° |
| C17 | C06 | O40 | H34 | 57.4° | 75.7° |
| C06 | C05 | C04 | H19 | 119.8° | 120.0° |
| C06 | C05 | C04 | H20 | 119.8° | 120.0° |
| C06 | C05 | C04 | N02 | 177.3° | 173.1° |
| C05 | C06 | C17 | C27 | 71.5° | 67.1° |
| C06 | C05 | C04 | H17 | 57.0° | 53.1° |
| C06 | C05 | C04 | H18 | 62.4° | 66.9° |
| C06 | C05 | H19 | H20 | 120.6° | 120.0° |
| C05 | C06 | C17 | H25 | 49.8° | 53.0° |
| C05 | C06 | O40 | H34 | 64.9° | 164.3° |
| C05 | C04 | N02 | H17 | 120.3° | 120.0° |
| C05 | C04 | N02 | H18 | 120.4° | 120.0° |
| C05 | C04 | N02 | C01 | 112.0° | 169.9° |
| C05 | C04 | N02 | C03 | 5.9° | 66.0° |
| C05 | C04 | H17 | H18 | 119.0° | 120.0° |
| C04 | C05 | H19 | H20 | 120.6° | 119.9° |
| C04 | N02 | C01 | C03 | 118.1° | 124.0° |
| C04 | N02 | C01 | H11 | 180.0° | 60.0° |
| C04 | N02 | C01 | H12 | 60.0° | 180.0° |
| C04 | N02 | C01 | H13 | 60.0° | 60.0° |
| C04 | N02 | C03 | H14 | 180.0° | 64.0° |
| C04 | N02 | C03 | H15 | 60.0° | 56.0° |
| C04 | N02 | C03 | H16 | 60.0° | 176.0° |
| N02 | C04 | H17 | H18 | 119.0° | 120.0° |
| N02 | C04 | C05 | H19 | 62.9° | 53.1° |
| N02 | C04 | C05 | H20 | 57.5° | 66.9° |
| N02 | C01 | H11 | H12 | 120.0° | 119.9° |
| N02 | C01 | H11 | H13 | 120.0° | 120.0° |
| N02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | N02 | C03 | H14 | 61.7° | 60.0° |
| C01 | N02 | C03 | H15 | 178.3° | 180.0° |
| C01 | N02 | C03 | H16 | 58.3° | 59.9° |
| C01 | N02 | C04 | H17 | 8.4° | 49.9° |
| C01 | N02 | C04 | H18 | 127.7° | 70.0° |
| C17 | C27 | C36 | C28 | 179.1° | 179.1° |
| C17 | C27 | C36 | C35 | 179.4° | 179.7° |
| C17 | C27 | C28 | O38 | 1.3° | 0.1° |
| C17 | C27 | C28 | N29 | 179.4° | 180.0° |
| C17 | C27 | C36 | H29 | 0.6° | 0.1° |
| C03 | N02 | C01 | H11 | 61.9° | 64.0° |
| C03 | N02 | C01 | H12 | 58.2° | 55.9° |
| C03 | N02 | C01 | H13 | 178.1° | 176.0° |
| N02 | C03 | H14 | H15 | 120.0° | 120.0° |
| N02 | C03 | H14 | H16 | 120.0° | 120.0° |
| N02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | N02 | C04 | H17 | 126.2° | 174.0° |
| C03 | N02 | C04 | H18 | 114.5° | 54.0° |
| C27 | C36 | C35 | H29 | 180.0° | 179.9° |
| C27 | C36 | C35 | C34 | 179.7° | 180.0° |
| C27 | C36 | C35 | C30 | 0.3° | 0.2° |
| C36 | C27 | C28 | O38 | 179.7° | 179.1° |
| C36 | C27 | C28 | N29 | 0.4° | 0.9° |
| C36 | C27 | C17 | H25 | 148.5° | 176.6° |
| C36 | C35 | C34 | C30 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 179.8° | 179.9° |
| C35 | C36 | C27 | C28 | 0.4° | 0.6° |
| C36 | C35 | C30 | N29 | 0.2° | 0.0° |
| C36 | C35 | C30 | C31 | 179.9° | 179.7° |
| C36 | C35 | C34 | H10 | 0.2° | 0.2° |
| BR37 | C33 | C34 | C35 | 179.8° | 180.0° |
| BR37 | C33 | C34 | C32 | 179.9° | 180.0° |
| BR37 | C33 | C32 | C31 | 180.0° | 180.0° |
| BR37 | C33 | C32 | H5 | 0.0° | 0.0° |
| BR37 | C33 | C34 | H10 | 0.2° | 0.3° |
| C35 | C34 | C33 | H10 | 180.0° | 179.7° |
| C35 | C34 | C33 | C32 | 0.1° | 0.1° |
| C34 | C35 | C30 | N29 | 179.8° | 179.8° |
| C34 | C35 | C30 | C31 | 0.1° | 0.5° |
| C34 | C35 | C36 | H29 | 0.3° | 0.1° |
| C33 | C34 | C35 | C30 | 0.2° | 0.3° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C34 | C33 | C32 | H5 | 179.9° | 179.9° |
| C27 | C28 | O38 | N29 | 179.3° | 180.0° |
| C27 | C28 | N29 | C30 | 0.4° | 0.7° |
| C27 | C28 | O38 | C39 | 143.0° | 179.9° |
| C28 | C27 | C17 | H25 | 30.6° | 2.6° |
| C28 | C27 | C36 | H29 | 179.6° | 179.3° |
| C35 | C30 | N29 | C28 | 0.3° | 0.2° |
| C35 | C30 | N29 | C31 | 179.7° | 179.7° |
| C35 | C30 | C31 | C32 | 0.1° | 0.5° |
| C35 | C30 | C31 | H4 | 180.0° | 179.8° |
| C30 | C35 | C34 | H10 | 179.8° | 180.0° |
| C30 | C35 | C36 | H29 | 179.7° | 179.7° |
| C33 | C32 | C31 | C30 | 0.2° | 0.3° |
| C33 | C32 | C31 | H5 | 180.0° | 180.0° |
| C33 | C32 | C31 | H4 | 179.9° | 180.0° |
| C32 | C33 | C34 | H10 | 179.9° | 179.8° |
| O38 | C28 | N29 | C30 | 179.6° | 179.3° |
| C28 | O38 | C39 | H30 | 180.0° | 180.0° |
| C28 | O38 | C39 | H31 | 60.0° | 60.0° |
| C28 | O38 | C39 | H32 | 60.0° | 60.0° |
| C28 | N29 | C30 | C31 | 179.9° | 179.9° |
| N29 | C28 | O38 | C39 | 36.3° | 0.0° |
| N29 | C30 | C31 | C32 | 179.6° | 179.8° |
| N29 | C30 | C31 | H4 | 0.4° | 0.0° |
| C30 | C31 | C32 | H4 | 180.0° | 179.7° |
| C30 | C31 | C32 | H5 | 179.9° | 179.7° |
| O38 | C39 | H30 | H31 | 120.0° | 120.1° |
| O38 | C39 | H30 | H32 | 120.0° | 120.0° |
| O38 | C39 | H31 | H32 | 120.0° | 120.0° |
| H2 | C21 | C22 | H3 | 0.5° | 0.4° |
| H3 | C22 | C23 | H9 | 1.3° | 0.1° |
| H4 | C31 | C32 | H5 | 0.1° | 0.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.1° |
| H11 | C01 | H12 | H13 | 120.0° | 120.1° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | C05 | H19 | 176.8° | 66.9° |
| H17 | C04 | C05 | H20 | 62.8° | 173.1° |
| H18 | C04 | C05 | H19 | 57.4° | 173.1° |
| H18 | C04 | C05 | H20 | 177.9° | 53.1° |
| H22 | C16 | H23 | H24 | 119.9° | 120.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H30 | C39 | H31 | H32 | 120.0° | 119.9° |
