1OY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C34 | sing | 1.74Å | 1.75Å | |
| C44 | C42 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| F3 | C32 | sing | 1.35Å | 1.36Å | |
| C45 | C42 | sing | 1.53Å | 1.53Å | |
| O14 | C14 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| F2 | C22 | sing | 1.35Å | 1.34Å | |
| C4 | C41 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.49Å | 1.51Å | |
| C4 | C3 | sing | 1.55Å | 1.51Å | |
| N11 | C10 | sing | 1.35Å | 1.36Å | |
| C31 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C3 | sing | 1.51Å | 1.50Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| N1 | C1 | sing | 1.48Å | 1.50Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C3 | C37 | sing | 1.47Å | 1.47Å | |
| C10 | O10 | doub | 1.21Å | 1.24Å | |
| C10 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C2 | C21 | sing | 1.51Å | 1.49Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| CL2 | C23 | sing | 1.74Å | 1.76Å | |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | N37 | trip | 1.14Å | 1.15Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N11 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| O14 | H8 | sing | 0.97Å | 0.95Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| O15 | H11 | sing | 0.97Å | 0.95Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C36 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C34 | C33 | 119.2° | 120.0° |
| CL3 | C34 | C35 | 120.0° | 120.0° |
| C44 | C42 | C45 | 109.4° | 109.4° |
| C44 | C42 | C43 | 109.7° | 109.5° |
| C44 | C42 | C41 | 108.6° | 109.5° |
| C42 | C44 | H27 | 109.5° | 109.5° |
| C42 | C44 | H28 | 109.5° | 109.4° |
| C42 | C44 | H29 | 109.5° | 109.4° |
| C34 | C33 | C32 | 118.0° | 120.0° |
| C33 | C34 | C35 | 120.8° | 119.9° |
| C34 | C33 | H18 | 121.0° | 120.0° |
| C33 | C32 | F3 | 118.1° | 120.0° |
| C33 | C32 | C31 | 123.2° | 120.0° |
| C32 | C33 | H18 | 121.0° | 120.0° |
| F3 | C32 | C31 | 118.7° | 120.0° |
| C45 | C42 | C43 | 109.6° | 109.5° |
| C45 | C42 | C41 | 109.9° | 109.5° |
| C42 | C45 | H24 | 109.5° | 109.4° |
| C42 | C45 | H25 | 109.5° | 109.4° |
| C42 | C45 | H26 | 109.5° | 109.5° |
| O14 | C14 | C13 | 110.3° | 109.5° |
| O14 | C14 | C15 | 111.4° | 109.5° |
| O14 | C14 | H7 | 108.9° | 109.5° |
| C14 | O14 | H8 | 109.5° | 114.0° |
| C34 | C35 | C36 | 119.6° | 120.1° |
| C34 | C35 | H20 | 120.2° | 120.0° |
| C32 | C31 | C36 | 118.4° | 119.9° |
| C32 | C31 | C3 | 121.7° | 120.0° |
| C43 | C42 | C41 | 109.5° | 109.5° |
| C42 | C43 | H30 | 109.5° | 109.5° |
| C42 | C43 | H31 | 109.5° | 109.5° |
| C42 | C43 | H32 | 109.5° | 109.5° |
| C42 | C41 | C4 | 110.5° | 109.5° |
| C42 | C41 | H22 | 109.2° | 109.5° |
| C42 | C41 | H23 | 109.2° | 109.5° |
| C13 | C14 | C15 | 110.5° | 109.5° |
| C14 | C13 | C12 | 110.8° | 109.5° |
| C14 | C13 | H5 | 109.2° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| C13 | C14 | H7 | 107.9° | 109.4° |
| C14 | C15 | O15 | 110.6° | 109.5° |
| C15 | C14 | H7 | 107.7° | 109.5° |
| C14 | C15 | H9 | 109.2° | 109.5° |
| C14 | C15 | H10 | 109.2° | 109.5° |
| C13 | C12 | N11 | 108.1° | 109.5° |
| C13 | C12 | H3 | 109.8° | 109.5° |
| C13 | C12 | H4 | 109.8° | 109.4° |
| C12 | C13 | H5 | 109.1° | 109.5° |
| C12 | C13 | H6 | 109.2° | 109.5° |
| C12 | N11 | C10 | 122.3° | 120.0° |
| C12 | N11 | H2 | 118.9° | 120.0° |
| N11 | C12 | H3 | 109.8° | 109.4° |
| N11 | C12 | H4 | 109.8° | 109.4° |
| C35 | C36 | C31 | 119.8° | 120.0° |
| C35 | C36 | H19 | 120.1° | 120.1° |
| C36 | C35 | H20 | 120.2° | 119.9° |
| F2 | C22 | C21 | 119.1° | 120.0° |
| F2 | C22 | C23 | 117.4° | 120.1° |
| C41 | C4 | N1 | 111.5° | 110.7° |
| C41 | C4 | C3 | 111.0° | 110.8° |
| C41 | C4 | H21 | 109.6° | 110.6° |
| C4 | C41 | H22 | 109.2° | 109.5° |
| C4 | C41 | H23 | 109.2° | 109.4° |
| N1 | C4 | C3 | 105.1° | 103.2° |
| C4 | N1 | C1 | 107.0° | 105.9° |
| C4 | N1 | H12 | 110.1° | 111.0° |
| N1 | C4 | H21 | 109.8° | 110.7° |
| C4 | C3 | C31 | 112.8° | 110.9° |
| C4 | C3 | C2 | 101.6° | 102.9° |
| C4 | C3 | C37 | 107.8° | 110.7° |
| C3 | C4 | H21 | 109.8° | 110.6° |
| N11 | C10 | O10 | 120.7° | 120.0° |
| N11 | C10 | C1 | 115.4° | 120.0° |
| C10 | N11 | H2 | 118.9° | 120.0° |
| C36 | C31 | C3 | 119.9° | 120.0° |
| C31 | C36 | H19 | 120.1° | 119.9° |
| C31 | C3 | C2 | 114.4° | 110.7° |
| C31 | C3 | C37 | 109.0° | 110.6° |
| O15 | C15 | H9 | 109.2° | 109.5° |
| O15 | C15 | H10 | 109.2° | 109.5° |
| C15 | O15 | H11 | 109.5° | 114.0° |
| N1 | C1 | C10 | 110.6° | 109.9° |
| N1 | C1 | C2 | 105.0° | 107.2° |
| N1 | C1 | H1 | 109.6° | 109.9° |
| C1 | N1 | H12 | 110.1° | 111.0° |
| C2 | C3 | C37 | 111.0° | 110.7° |
| C3 | C2 | C1 | 102.8° | 105.1° |
| C3 | C2 | C21 | 114.2° | 110.3° |
| C3 | C2 | H14 | 108.6° | 110.4° |
| C3 | C37 | N37 | 179.1° | 180.0° |
| O10 | C10 | C1 | 123.9° | 120.0° |
| C10 | C1 | C2 | 112.3° | 109.9° |
| C10 | C1 | H1 | 109.8° | 109.9° |
| C1 | C2 | C21 | 113.4° | 110.3° |
| C2 | C1 | H1 | 109.4° | 109.9° |
| C1 | C2 | H14 | 108.7° | 110.3° |
| C2 | C21 | C22 | 119.6° | 120.0° |
| C2 | C21 | C26 | 121.7° | 120.0° |
| C21 | C2 | H14 | 108.9° | 110.3° |
| C21 | C22 | C23 | 123.5° | 119.9° |
| C22 | C21 | C26 | 118.6° | 120.0° |
| C22 | C23 | CL2 | 119.5° | 120.0° |
| C22 | C23 | C24 | 118.9° | 120.0° |
| CL2 | C23 | C24 | 121.6° | 120.0° |
| C21 | C26 | C25 | 119.3° | 120.0° |
| C21 | C26 | H15 | 120.4° | 120.0° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C23 | C24 | H17 | 120.5° | 120.1° |
| C26 | C25 | C24 | 120.5° | 120.1° |
| C25 | C26 | H15 | 120.3° | 120.0° |
| C26 | C25 | H16 | 119.8° | 119.9° |
| C24 | C25 | H16 | 119.8° | 120.0° |
| C25 | C24 | H17 | 120.4° | 119.9° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H22 | C41 | H23 | 109.5° | 109.5° |
| H24 | C45 | H25 | 109.5° | 109.5° |
| H24 | C45 | H26 | 109.4° | 109.5° |
| H25 | C45 | H26 | 109.5° | 109.5° |
| H27 | C44 | H28 | 109.4° | 109.5° |
| H27 | C44 | H29 | 109.5° | 109.5° |
| H28 | C44 | H29 | 109.5° | 109.5° |
| H30 | C43 | H31 | 109.5° | 109.4° |
| H30 | C43 | H32 | 109.5° | 109.5° |
| H31 | C43 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C34 | C33 | C35 | 178.8° | 179.6° |
| CL3 | C34 | C33 | C32 | 176.9° | 180.0° |
| CL3 | C34 | C35 | C36 | 176.3° | 179.8° |
| CL3 | C34 | C33 | H18 | 3.1° | 0.1° |
| CL3 | C34 | C35 | H20 | 3.7° | 0.3° |
| C44 | C42 | C45 | C43 | 120.4° | 120.0° |
| C44 | C42 | C45 | C41 | 119.3° | 120.0° |
| C44 | C42 | C43 | C41 | 119.1° | 120.0° |
| C44 | C42 | C41 | C4 | 84.3° | 54.1° |
| C44 | C42 | C41 | H22 | 35.8° | 174.1° |
| C44 | C42 | C41 | H23 | 155.5° | 65.8° |
| C44 | C42 | C45 | H24 | 180.0° | 180.0° |
| C44 | C42 | C45 | H25 | 60.0° | 60.0° |
| C44 | C42 | C45 | H26 | 60.0° | 60.0° |
| C42 | C44 | H27 | H28 | 120.0° | 120.0° |
| C42 | C44 | H27 | H29 | 120.0° | 120.0° |
| C42 | C44 | H28 | H29 | 120.0° | 119.9° |
| C44 | C42 | C43 | H30 | 180.0° | 171.4° |
| C44 | C42 | C43 | H31 | 60.0° | 68.6° |
| C44 | C42 | C43 | H32 | 60.0° | 51.4° |
| C34 | C33 | C32 | H18 | 180.0° | 179.9° |
| C34 | C33 | C32 | F3 | 178.3° | 179.9° |
| C34 | C33 | C32 | C31 | 1.1° | 0.1° |
| C33 | C34 | C35 | C36 | 2.5° | 0.6° |
| C33 | C34 | C35 | H20 | 177.5° | 179.9° |
| C33 | C32 | F3 | C31 | 179.4° | 180.0° |
| C32 | C33 | C34 | C35 | 1.9° | 0.4° |
| C33 | C32 | C31 | C36 | 3.3° | 0.0° |
| C33 | C32 | C31 | C3 | 175.3° | 179.8° |
| F3 | C32 | C31 | C36 | 176.1° | 180.0° |
| F3 | C32 | C31 | C3 | 5.4° | 0.2° |
| F3 | C32 | C33 | H18 | 1.7° | 0.0° |
| C45 | C42 | C43 | C41 | 120.7° | 120.0° |
| C45 | C42 | C41 | C4 | 35.4° | 174.1° |
| C45 | C42 | C41 | H22 | 155.6° | 65.9° |
| C45 | C42 | C41 | H23 | 84.7° | 54.1° |
| C42 | C45 | H24 | H25 | 120.0° | 119.9° |
| C42 | C45 | H24 | H26 | 120.0° | 120.0° |
| C42 | C45 | H25 | H26 | 120.0° | 120.0° |
| C45 | C42 | C44 | H27 | 180.0° | 60.0° |
| C45 | C42 | C44 | H28 | 60.0° | 60.0° |
| C45 | C42 | C44 | H29 | 60.0° | 180.0° |
| C45 | C42 | C43 | H30 | 59.8° | 68.7° |
| C45 | C42 | C43 | H31 | 179.8° | 51.3° |
| C45 | C42 | C43 | H32 | 60.2° | 171.3° |
| O14 | C14 | C13 | C15 | 123.6° | 120.0° |
| O14 | C14 | C13 | H7 | 118.9° | 120.0° |
| O14 | C14 | C15 | H7 | 119.4° | 120.0° |
| O14 | C14 | C13 | C12 | 158.6° | 65.0° |
| O14 | C14 | C15 | O15 | 59.8° | 65.0° |
| O14 | C14 | C13 | H5 | 38.4° | 174.9° |
| O14 | C14 | C13 | H6 | 81.1° | 55.0° |
| O14 | C14 | C15 | H9 | 60.4° | 175.0° |
| O14 | C14 | C15 | H10 | 179.9° | 55.0° |
| C34 | C35 | C36 | H20 | 180.0° | 179.5° |
| C34 | C35 | C36 | C31 | 0.2° | 0.5° |
| C35 | C34 | C33 | H18 | 178.1° | 179.7° |
| C34 | C35 | C36 | H19 | 179.9° | 179.5° |
| C32 | C31 | C36 | C35 | 2.6° | 0.2° |
| C32 | C31 | C3 | C4 | 65.1° | 58.0° |
| C32 | C31 | C36 | C3 | 178.6° | 179.7° |
| C32 | C31 | C3 | C2 | 50.3° | 55.6° |
| C32 | C31 | C3 | C37 | 175.2° | 178.8° |
| C31 | C32 | C33 | H18 | 178.9° | 180.0° |
| C32 | C31 | C36 | H19 | 177.4° | 179.8° |
| C43 | C42 | C41 | C4 | 155.9° | 65.9° |
| C43 | C42 | C41 | H22 | 83.9° | 54.1° |
| C43 | C42 | C41 | H23 | 35.8° | 174.1° |
| C43 | C42 | C45 | H24 | 59.6° | 60.0° |
| C43 | C42 | C45 | H25 | 60.4° | 180.0° |
| C43 | C42 | C45 | H26 | 179.6° | 60.0° |
| C43 | C42 | C44 | H27 | 59.7° | 60.0° |
| C43 | C42 | C44 | H28 | 179.7° | 180.0° |
| C43 | C42 | C44 | H29 | 60.3° | 60.0° |
| C42 | C43 | H30 | H31 | 120.0° | 120.0° |
| C42 | C43 | H30 | H32 | 120.0° | 120.0° |
| C42 | C43 | H31 | H32 | 120.0° | 120.0° |
| C42 | C41 | C4 | H22 | 120.1° | 120.0° |
| C42 | C41 | C4 | H23 | 120.1° | 120.0° |
| C42 | C41 | C4 | N1 | 90.8° | 66.7° |
| C42 | C41 | C4 | C3 | 152.4° | 179.4° |
| C42 | C41 | C4 | H21 | 31.0° | 56.3° |
| C42 | C41 | H22 | H23 | 119.5° | 120.1° |
| C41 | C42 | C45 | H24 | 60.7° | 60.0° |
| C41 | C42 | C45 | H25 | 179.3° | 60.0° |
| C41 | C42 | C45 | H26 | 59.3° | 180.0° |
| C41 | C42 | C44 | H27 | 60.0° | 180.0° |
| C41 | C42 | C44 | H28 | 60.0° | 59.9° |
| C41 | C42 | C44 | H29 | 180.0° | 60.0° |
| C41 | C42 | C43 | H30 | 60.9° | 51.3° |
| C41 | C42 | C43 | H31 | 59.1° | 171.3° |
| C41 | C42 | C43 | H32 | 179.1° | 68.7° |
| C13 | C14 | C15 | H7 | 117.6° | 120.0° |
| C14 | C13 | C12 | H5 | 120.2° | 120.1° |
| C14 | C13 | C12 | H6 | 120.2° | 120.0° |
| C14 | C13 | C12 | N11 | 168.2° | 180.0° |
| C13 | C14 | C15 | O15 | 63.2° | 175.0° |
| C14 | C13 | C12 | H3 | 72.1° | 60.0° |
| C14 | C13 | C12 | H4 | 48.4° | 60.1° |
| C14 | C13 | H5 | H6 | 119.4° | 119.9° |
| C13 | C14 | O14 | H8 | 180.0° | 60.0° |
| C13 | C14 | C15 | H9 | 176.6° | 55.0° |
| C13 | C14 | C15 | H10 | 56.9° | 65.0° |
| C15 | C14 | C13 | C12 | 77.7° | 175.0° |
| C14 | C15 | O15 | H9 | 120.2° | 120.0° |
| C14 | C15 | O15 | H10 | 120.1° | 120.0° |
| C15 | C14 | C13 | H5 | 162.0° | 54.9° |
| C15 | C14 | C13 | H6 | 42.5° | 65.0° |
| C15 | C14 | O14 | H8 | 56.9° | 60.0° |
| C14 | C15 | H9 | H10 | 119.5° | 120.0° |
| C14 | C15 | O15 | H11 | 180.0° | 180.0° |
| C13 | C12 | N11 | H3 | 119.8° | 120.0° |
| C13 | C12 | N11 | H4 | 119.8° | 119.9° |
| C13 | C12 | N11 | C10 | 139.5° | 179.9° |
| C13 | C12 | N11 | H2 | 40.5° | 0.0° |
| C13 | C12 | H3 | H4 | 120.7° | 120.0° |
| C12 | C13 | H5 | H6 | 119.4° | 120.0° |
| C12 | C13 | C14 | H7 | 39.7° | 55.0° |
| C12 | N11 | C10 | H2 | 180.0° | 179.9° |
| C12 | N11 | C10 | O10 | 7.1° | 0.1° |
| C12 | N11 | C10 | C1 | 170.0° | 180.0° |
| N11 | C12 | H3 | H4 | 120.6° | 120.0° |
| N11 | C12 | C13 | H5 | 48.0° | 59.9° |
| N11 | C12 | C13 | H6 | 71.6° | 60.0° |
| C35 | C36 | C31 | H19 | 180.0° | 180.0° |
| C35 | C36 | C31 | C3 | 176.0° | 180.0° |
| F2 | C22 | C21 | C2 | 6.8° | 0.1° |
| F2 | C22 | C21 | C23 | 178.0° | 179.9° |
| F2 | C22 | C23 | CL2 | 6.5° | 0.1° |
| F2 | C22 | C21 | C26 | 173.7° | 179.8° |
| F2 | C22 | C23 | C24 | 174.1° | 179.9° |
| C41 | C4 | N1 | C3 | 120.3° | 118.6° |
| C41 | C4 | N1 | H21 | 121.7° | 123.0° |
| C41 | C4 | C3 | H21 | 121.3° | 123.1° |
| C41 | C4 | C3 | C31 | 80.4° | 85.8° |
| C41 | C4 | N1 | C1 | 135.7° | 157.7° |
| C41 | C4 | C3 | C2 | 156.7° | 155.8° |
| C41 | C4 | C3 | C37 | 40.0° | 37.5° |
| C41 | C4 | N1 | H12 | 16.1° | 37.1° |
| C4 | C41 | H22 | H23 | 119.5° | 120.0° |
| N1 | C4 | C3 | H21 | 118.0° | 118.4° |
| N1 | C4 | C3 | C31 | 158.9° | 155.7° |
| C4 | N1 | C1 | H12 | 119.6° | 120.6° |
| N1 | C4 | C3 | C2 | 36.0° | 37.3° |
| N1 | C4 | C3 | C37 | 80.8° | 81.0° |
| C4 | N1 | C1 | C10 | 133.0° | 94.2° |
| C4 | N1 | C1 | C2 | 11.7° | 25.3° |
| C4 | N1 | C1 | H1 | 105.8° | 144.7° |
| N1 | C4 | C41 | H22 | 149.0° | 53.3° |
| N1 | C4 | C41 | H23 | 29.3° | 173.2° |
| C4 | C3 | C31 | C36 | 116.3° | 121.8° |
| C4 | C3 | C31 | C2 | 115.4° | 113.6° |
| C4 | C3 | C31 | C37 | 119.7° | 123.3° |
| C3 | C4 | N1 | C1 | 15.3° | 39.0° |
| C4 | C3 | C2 | C37 | 114.4° | 118.4° |
| C4 | C3 | C2 | C1 | 43.1° | 21.9° |
| C4 | C3 | C2 | C21 | 166.3° | 140.8° |
| C4 | C3 | C37 | N37 | 28.7° | 149.4° |
| C3 | C4 | N1 | H12 | 104.3° | 81.5° |
| C4 | C3 | C2 | H14 | 72.0° | 97.0° |
| C3 | C4 | C41 | H22 | 32.3° | 60.6° |
| C3 | C4 | C41 | H23 | 87.5° | 59.4° |
| N11 | C10 | C1 | N1 | 6.5° | 161.8° |
| N11 | C10 | O10 | C1 | 176.8° | 179.9° |
| N11 | C10 | C1 | C2 | 123.4° | 80.4° |
| N11 | C10 | C1 | H1 | 114.6° | 40.7° |
| C10 | N11 | C12 | H3 | 19.7° | 60.0° |
| C10 | N11 | C12 | H4 | 100.7° | 60.0° |
| C36 | C31 | C3 | C2 | 128.2° | 124.6° |
| C36 | C31 | C3 | C37 | 3.4° | 1.5° |
| C31 | C36 | C35 | H20 | 179.8° | 180.0° |
| C31 | C3 | C2 | C37 | 123.8° | 123.1° |
| C31 | C3 | C2 | C1 | 164.9° | 140.5° |
| C31 | C3 | C2 | C21 | 71.9° | 100.6° |
| C31 | C3 | C37 | N37 | 94.0° | 87.2° |
| C31 | C3 | C2 | H14 | 49.8° | 21.6° |
| C3 | C31 | C36 | H19 | 4.0° | 0.0° |
| C31 | C3 | C4 | H21 | 40.9° | 37.3° |
| O15 | C15 | C14 | H7 | 179.1° | 55.0° |
| O15 | C15 | H9 | H10 | 119.5° | 120.0° |
| N1 | C1 | C2 | C3 | 34.1° | 1.1° |
| N1 | C1 | C10 | O10 | 176.5° | 18.1° |
| N1 | C1 | C10 | C2 | 116.9° | 117.8° |
| N1 | C1 | C10 | H1 | 121.1° | 121.1° |
| N1 | C1 | C2 | H1 | 117.6° | 119.5° |
| N1 | C1 | C2 | C21 | 157.8° | 117.8° |
| N1 | C1 | C2 | H14 | 80.9° | 120.1° |
| C1 | N1 | C4 | H21 | 102.6° | 79.3° |
| C3 | C2 | C1 | C10 | 154.3° | 118.3° |
| C3 | C2 | C1 | C21 | 123.7° | 118.9° |
| C3 | C2 | C1 | H14 | 115.0° | 119.0° |
| C3 | C2 | C21 | H14 | 121.6° | 122.3° |
| C3 | C2 | C21 | C22 | 98.0° | 123.2° |
| C3 | C2 | C21 | C26 | 81.6° | 57.1° |
| C2 | C3 | C37 | N37 | 139.2° | 35.9° |
| C3 | C2 | C1 | H1 | 83.5° | 120.6° |
| C2 | C3 | C4 | H21 | 82.0° | 81.1° |
| C37 | C3 | C2 | C1 | 71.3° | 96.4° |
| C37 | C3 | C2 | C21 | 51.9° | 22.5° |
| C37 | C3 | C2 | H14 | 173.7° | 144.7° |
| C37 | C3 | C4 | H21 | 161.2° | 160.6° |
| O10 | C10 | C1 | C2 | 59.6° | 99.7° |
| O10 | C10 | C1 | H1 | 62.4° | 139.3° |
| O10 | C10 | N11 | H2 | 172.9° | 180.0° |
| C10 | C1 | C2 | H1 | 122.2° | 121.0° |
| C10 | C1 | C2 | C21 | 82.0° | 122.7° |
| C1 | C10 | N11 | H2 | 10.0° | 0.1° |
| C10 | C1 | N1 | H12 | 107.4° | 145.2° |
| C10 | C1 | C2 | H14 | 39.3° | 0.7° |
| C1 | C2 | C21 | H14 | 121.1° | 122.0° |
| C1 | C2 | C21 | C22 | 144.7° | 121.2° |
| C1 | C2 | C21 | C26 | 35.7° | 58.6° |
| C2 | C1 | N1 | H12 | 131.3° | 95.3° |
| C2 | C21 | C22 | C26 | 179.6° | 179.7° |
| C2 | C21 | C22 | C23 | 175.3° | 180.0° |
| C2 | C21 | C26 | C25 | 177.6° | 180.0° |
| C21 | C2 | C1 | H1 | 40.2° | 1.7° |
| C2 | C21 | C26 | H15 | 2.4° | 0.0° |
| C21 | C22 | C23 | CL2 | 175.5° | 180.0° |
| C21 | C22 | C23 | C24 | 3.9° | 0.1° |
| C22 | C21 | C26 | C25 | 1.9° | 0.3° |
| C22 | C21 | C2 | H14 | 23.6° | 0.9° |
| C22 | C21 | C26 | H15 | 178.0° | 179.7° |
| C22 | C23 | CL2 | C24 | 179.4° | 180.0° |
| C23 | C22 | C21 | C26 | 4.3° | 0.3° |
| C22 | C23 | C24 | C25 | 1.2° | 0.2° |
| C22 | C23 | C24 | H17 | 178.8° | 180.0° |
| CL2 | C23 | C24 | C25 | 178.2° | 179.8° |
| CL2 | C23 | C24 | H17 | 1.8° | 0.0° |
| C21 | C26 | C25 | H15 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.6° | 0.0° |
| C26 | C21 | C2 | H14 | 156.8° | 179.4° |
| C21 | C26 | C25 | H16 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.2° |
| C23 | C24 | C25 | H17 | 180.0° | 179.8° |
| C23 | C24 | C25 | H16 | 179.1° | 179.8° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | H17 | 179.1° | 180.0° |
| C24 | C25 | C26 | H15 | 179.5° | 180.0° |
| H1 | C1 | N1 | H12 | 13.8° | 24.1° |
| H1 | C1 | C2 | H14 | 161.5° | 120.4° |
| H2 | N11 | C12 | H3 | 160.3° | 120.1° |
| H2 | N11 | C12 | H4 | 79.3° | 119.9° |
| H3 | C12 | C13 | H5 | 167.7° | 179.9° |
| H3 | C12 | C13 | H6 | 48.2° | 60.0° |
| H4 | C12 | C13 | H5 | 71.8° | 60.0° |
| H4 | C12 | C13 | H6 | 168.6° | 179.9° |
| H5 | C13 | C14 | H7 | 80.5° | 65.1° |
| H6 | C13 | C14 | H7 | 160.0° | 175.0° |
| H7 | C14 | O14 | H8 | 61.8° | 180.0° |
| H7 | C14 | C15 | H9 | 59.0° | 65.0° |
| H7 | C14 | C15 | H10 | 60.7° | 175.1° |
| H9 | C15 | O15 | H11 | 59.9° | 60.0° |
| H10 | C15 | O15 | H11 | 59.8° | 60.0° |
| H12 | N1 | C4 | H21 | 137.8° | 160.1° |
| H15 | C26 | C25 | H16 | 0.5° | 0.1° |
| H16 | C25 | C24 | H17 | 0.9° | 0.0° |
| H19 | C36 | C35 | H20 | 0.2° | 0.0° |
| H21 | C4 | C41 | H22 | 89.1° | 176.3° |
| H21 | C4 | C41 | H23 | 151.2° | 63.7° |
| H24 | C45 | H25 | H26 | 120.0° | 120.0° |
| H27 | C44 | H28 | H29 | 120.0° | 120.0° |
| H30 | C43 | H31 | H32 | 120.0° | 120.0° |
