I09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C42 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | C45 | sing | 1.53Å | 1.54Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C4 | sing | 1.53Å | 1.53Å | |
| CL3 | C34 | sing | 1.74Å | 1.74Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.49Å | 1.49Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| O14 | C14 | sing | 1.43Å | 1.42Å | |
| N1 | C1 | sing | 1.49Å | 1.50Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C31 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C3 | sing | 1.51Å | 1.50Å | |
| N11 | C10 | sing | 1.35Å | 1.38Å | |
| C3 | C37 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C10 | O10 | doub | 1.21Å | 1.25Å | |
| C37 | N37 | trip | 1.14Å | 1.15Å | |
| C2 | C21 | sing | 1.51Å | 1.50Å | |
| O15 | C15 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | CL2 | sing | 1.74Å | 1.75Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | 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 | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C42 | C43 | 109.5° | 109.5° |
| C44 | C42 | C45 | 109.2° | 109.5° |
| C44 | C42 | C41 | 109.5° | 109.5° |
| C42 | C44 | H29 | 109.5° | 109.4° |
| C42 | C44 | H30 | 109.5° | 109.4° |
| C42 | C44 | H31 | 109.5° | 109.5° |
| C43 | C42 | C45 | 109.5° | 109.4° |
| C43 | C42 | C41 | 108.7° | 109.5° |
| C42 | C43 | H32 | 109.5° | 109.5° |
| C42 | C43 | H33 | 109.4° | 109.5° |
| C42 | C43 | H34 | 109.5° | 109.5° |
| C45 | C42 | C41 | 110.4° | 109.4° |
| C42 | C45 | H26 | 109.5° | 109.4° |
| C42 | C45 | H27 | 109.5° | 109.5° |
| C42 | C45 | H28 | 109.5° | 109.5° |
| C42 | C41 | C4 | 111.3° | 109.5° |
| C42 | C41 | H24 | 109.0° | 109.5° |
| C42 | C41 | H25 | 109.0° | 109.4° |
| C41 | C4 | N1 | 111.2° | 110.4° |
| C41 | C4 | C3 | 111.5° | 110.4° |
| C41 | C4 | H23 | 109.4° | 110.5° |
| C4 | C41 | H24 | 109.0° | 109.5° |
| C4 | C41 | H25 | 109.0° | 109.4° |
| CL3 | C34 | C33 | 119.5° | 120.0° |
| CL3 | C34 | C35 | 119.5° | 120.0° |
| C34 | C33 | C32 | 119.5° | 120.0° |
| C33 | C34 | C35 | 121.0° | 120.0° |
| C34 | C33 | H20 | 120.2° | 120.0° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C33 | C32 | H19 | 120.1° | 120.0° |
| C32 | C33 | H20 | 120.3° | 120.0° |
| N1 | C4 | C3 | 105.0° | 104.6° |
| C4 | N1 | C1 | 107.6° | 104.2° |
| C4 | N1 | H12 | 109.9° | 111.0° |
| N1 | C4 | H23 | 110.0° | 110.4° |
| C4 | C3 | C31 | 112.0° | 110.4° |
| C4 | C3 | C37 | 107.6° | 110.3° |
| C4 | C3 | C2 | 102.6° | 105.1° |
| C3 | C4 | H23 | 109.6° | 110.4° |
| C34 | C35 | C36 | 119.1° | 120.0° |
| C34 | C35 | H22 | 120.5° | 120.0° |
| C32 | C31 | C36 | 120.2° | 120.1° |
| C32 | C31 | C3 | 120.5° | 120.0° |
| C31 | C32 | H19 | 120.1° | 120.0° |
| O14 | C14 | C13 | 110.1° | 109.5° |
| O14 | C14 | C15 | 110.4° | 109.5° |
| O14 | C14 | H7 | 109.5° | 109.4° |
| C14 | O14 | H8 | 109.5° | 113.9° |
| N1 | C1 | C10 | 109.7° | 110.4° |
| N1 | C1 | C2 | 105.4° | 104.6° |
| N1 | C1 | H1 | 110.3° | 110.5° |
| C1 | N1 | H12 | 109.9° | 111.0° |
| C35 | C36 | C31 | 120.4° | 120.0° |
| C35 | C36 | H21 | 119.8° | 120.0° |
| C36 | C35 | H22 | 120.4° | 120.0° |
| N11 | C12 | C13 | 110.0° | 109.5° |
| C12 | N11 | C10 | 121.7° | 120.0° |
| C12 | N11 | H2 | 119.1° | 120.0° |
| N11 | C12 | H3 | 109.3° | 109.5° |
| N11 | C12 | H4 | 109.4° | 109.4° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C13 | C12 | H3 | 109.4° | 109.5° |
| C13 | C12 | H4 | 109.3° | 109.5° |
| C12 | C13 | H5 | 109.4° | 109.5° |
| C12 | C13 | H6 | 109.4° | 109.5° |
| C36 | C31 | C3 | 119.3° | 119.9° |
| C31 | C36 | H21 | 119.8° | 120.0° |
| C31 | C3 | C37 | 109.4° | 110.3° |
| C31 | C3 | C2 | 113.1° | 110.4° |
| N11 | C10 | C1 | 115.8° | 120.0° |
| N11 | C10 | O10 | 120.9° | 120.0° |
| C10 | N11 | H2 | 119.1° | 120.0° |
| C37 | C3 | C2 | 112.0° | 110.3° |
| C3 | C37 | N37 | 179.5° | 180.0° |
| C3 | C2 | C1 | 104.1° | 105.1° |
| C3 | C2 | C21 | 113.3° | 110.3° |
| C3 | C2 | H14 | 108.5° | 110.4° |
| C13 | C14 | C15 | 110.5° | 109.5° |
| C14 | C13 | H5 | 109.4° | 109.5° |
| C14 | C13 | H6 | 109.4° | 109.4° |
| C13 | C14 | H7 | 108.1° | 109.4° |
| C14 | C15 | O15 | 110.5° | 109.5° |
| C15 | C14 | H7 | 108.1° | 109.5° |
| C14 | C15 | H9 | 109.2° | 109.5° |
| C14 | C15 | H10 | 109.2° | 109.4° |
| C10 | C1 | C2 | 110.9° | 110.4° |
| C1 | C10 | O10 | 123.3° | 120.0° |
| C10 | C1 | H1 | 110.4° | 110.4° |
| C1 | C2 | C21 | 114.0° | 110.4° |
| C2 | C1 | H1 | 110.0° | 110.4° |
| C1 | C2 | H14 | 108.2° | 110.3° |
| C2 | C21 | C22 | 118.5° | 120.0° |
| C2 | C21 | C26 | 121.2° | 120.0° |
| C21 | C2 | H14 | 108.6° | 110.3° |
| O15 | C15 | H9 | 109.2° | 109.5° |
| O15 | C15 | H10 | 109.2° | 109.5° |
| C15 | O15 | H11 | 109.5° | 114.0° |
| C22 | C21 | C26 | 120.3° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C21 | C22 | H17 | 120.1° | 120.0° |
| C21 | C26 | C25 | 119.9° | 120.0° |
| C21 | C26 | H15 | 120.1° | 120.0° |
| C22 | C23 | CL2 | 118.9° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C23 | C22 | H17 | 120.1° | 120.0° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C25 | C26 | H15 | 120.0° | 120.0° |
| C26 | C25 | H16 | 120.0° | 119.9° |
| CL2 | C23 | C24 | 120.3° | 120.0° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C23 | C24 | H18 | 120.4° | 120.0° |
| C24 | C25 | H16 | 120.0° | 120.0° |
| C25 | C24 | H18 | 120.5° | 120.1° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H24 | C41 | H25 | 109.5° | 109.5° |
| H26 | C45 | H27 | 109.5° | 109.5° |
| H26 | C45 | H28 | 109.4° | 109.5° |
| H27 | C45 | H28 | 109.5° | 109.5° |
| H29 | C44 | H30 | 109.5° | 109.4° |
| H29 | C44 | H31 | 109.5° | 109.5° |
| H30 | C44 | H31 | 109.4° | 109.5° |
| H32 | C43 | H33 | 109.5° | 109.5° |
| H32 | C43 | H34 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C42 | C43 | C45 | 119.7° | 120.0° |
| C44 | C42 | C43 | C41 | 119.6° | 120.0° |
| C44 | C42 | C45 | C41 | 120.5° | 120.0° |
| C44 | C42 | C41 | C4 | 63.4° | 174.2° |
| C44 | C42 | C41 | H24 | 56.9° | 65.8° |
| C44 | C42 | C41 | H25 | 176.4° | 54.3° |
| C44 | C42 | C45 | H26 | 180.0° | 68.5° |
| C44 | C42 | C45 | H27 | 60.0° | 51.4° |
| C44 | C42 | C45 | H28 | 60.0° | 171.4° |
| C42 | C44 | H29 | H30 | 120.0° | 119.9° |
| C42 | C44 | H29 | H31 | 120.0° | 120.0° |
| C42 | C44 | H30 | H31 | 120.0° | 120.0° |
| C44 | C42 | C43 | H32 | 180.0° | 60.0° |
| C44 | C42 | C43 | H33 | 60.0° | 60.0° |
| C44 | C42 | C43 | H34 | 60.0° | 179.9° |
| C43 | C42 | C45 | C41 | 119.7° | 120.0° |
| C43 | C42 | C41 | C4 | 177.0° | 54.2° |
| C43 | C42 | C41 | H24 | 62.7° | 174.2° |
| C43 | C42 | C41 | H25 | 56.8° | 65.7° |
| C43 | C42 | C45 | H26 | 60.1° | 171.5° |
| C43 | C42 | C45 | H27 | 59.9° | 68.6° |
| C43 | C42 | C45 | H28 | 179.9° | 51.4° |
| C43 | C42 | C44 | H29 | 180.0° | 180.0° |
| C43 | C42 | C44 | H30 | 60.0° | 60.0° |
| C43 | C42 | C44 | H31 | 60.0° | 60.0° |
| C42 | C43 | H32 | H33 | 120.0° | 120.0° |
| C42 | C43 | H32 | H34 | 120.0° | 120.0° |
| C42 | C43 | H33 | H34 | 120.0° | 120.0° |
| C45 | C42 | C41 | C4 | 56.8° | 65.8° |
| C45 | C42 | C41 | H24 | 177.1° | 54.2° |
| C45 | C42 | C41 | H25 | 63.4° | 174.3° |
| C42 | C45 | H26 | H27 | 120.0° | 120.0° |
| C42 | C45 | H26 | H28 | 120.0° | 120.0° |
| C42 | C45 | H27 | H28 | 120.0° | 120.0° |
| C45 | C42 | C44 | H29 | 60.1° | 60.1° |
| C45 | C42 | C44 | H30 | 59.9° | 180.0° |
| C45 | C42 | C44 | H31 | 179.9° | 60.0° |
| C45 | C42 | C43 | H32 | 60.4° | 60.0° |
| C45 | C42 | C43 | H33 | 179.6° | 180.0° |
| C45 | C42 | C43 | H34 | 59.7° | 60.0° |
| C42 | C41 | C4 | H24 | 120.3° | 120.0° |
| C42 | C41 | C4 | H25 | 120.3° | 119.9° |
| C42 | C41 | C4 | N1 | 80.8° | 66.7° |
| C42 | C41 | C4 | C3 | 162.4° | 178.1° |
| C42 | C41 | C4 | H23 | 41.0° | 55.7° |
| C42 | C41 | H24 | H25 | 119.2° | 120.0° |
| C41 | C42 | C45 | H26 | 59.5° | 51.5° |
| C41 | C42 | C45 | H27 | 179.5° | 171.4° |
| C41 | C42 | C45 | H28 | 60.4° | 68.5° |
| C41 | C42 | C44 | H29 | 60.9° | 59.9° |
| C41 | C42 | C44 | H30 | 179.1° | 60.0° |
| C41 | C42 | C44 | H31 | 59.1° | 180.0° |
| C41 | C42 | C43 | H32 | 60.4° | 180.0° |
| C41 | C42 | C43 | H33 | 59.6° | 60.0° |
| C41 | C42 | C43 | H34 | 179.6° | 60.0° |
| C41 | C4 | N1 | C3 | 120.8° | 118.8° |
| C41 | C4 | N1 | H23 | 121.4° | 122.5° |
| C41 | C4 | C3 | H23 | 121.4° | 122.5° |
| C41 | C4 | N1 | C1 | 139.6° | 158.2° |
| C41 | C4 | C3 | C31 | 82.2° | 98.4° |
| C41 | C4 | C3 | C37 | 38.0° | 23.7° |
| C41 | C4 | C3 | C2 | 156.2° | 142.6° |
| C41 | C4 | N1 | H12 | 19.9° | 38.7° |
| C4 | C41 | H24 | H25 | 119.1° | 120.0° |
| CL3 | C34 | C33 | C35 | 179.9° | 179.7° |
| CL3 | C34 | C33 | C32 | 179.8° | 179.9° |
| CL3 | C34 | C35 | C36 | 179.7° | 179.8° |
| CL3 | C34 | C33 | H20 | 0.1° | 0.0° |
| CL3 | C34 | C35 | H22 | 0.3° | 0.3° |
| C34 | C33 | C32 | H20 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.2° | 0.1° |
| C33 | C34 | C35 | C36 | 0.3° | 0.5° |
| C34 | C33 | C32 | H19 | 179.8° | 180.0° |
| C33 | C34 | C35 | H22 | 179.7° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.2° |
| C33 | C32 | C31 | H19 | 180.0° | 179.9° |
| C33 | C32 | C31 | C36 | 0.4° | 0.0° |
| C33 | C32 | C31 | C3 | 179.7° | 179.7° |
| N1 | C4 | C3 | H23 | 118.1° | 118.7° |
| C4 | N1 | C1 | H12 | 119.7° | 119.5° |
| N1 | C4 | C3 | C31 | 157.2° | 142.8° |
| N1 | C4 | C3 | C37 | 82.6° | 95.1° |
| N1 | C4 | C3 | C2 | 35.7° | 23.8° |
| C4 | N1 | C1 | C10 | 124.6° | 79.3° |
| C4 | N1 | C1 | C2 | 5.1° | 39.5° |
| C4 | N1 | C1 | H1 | 113.6° | 158.3° |
| N1 | C4 | C41 | H24 | 159.0° | 53.3° |
| N1 | C4 | C41 | H25 | 39.5° | 173.3° |
| C4 | C3 | C31 | C32 | 64.4° | 117.0° |
| C3 | C4 | N1 | C1 | 18.9° | 39.5° |
| C4 | C3 | C31 | C36 | 115.8° | 63.3° |
| C4 | C3 | C31 | C37 | 119.2° | 122.1° |
| C4 | C3 | C31 | C2 | 115.3° | 115.7° |
| C4 | C3 | C37 | C2 | 112.0° | 115.6° |
| C4 | C3 | C2 | C1 | 38.6° | 0.0° |
| C4 | C3 | C37 | N37 | 49.0° | 35.5° |
| C4 | C3 | C2 | C21 | 163.0° | 118.9° |
| C3 | C4 | N1 | H12 | 100.8° | 80.1° |
| C4 | C3 | C2 | H14 | 76.4° | 119.0° |
| C3 | C4 | C41 | H24 | 42.1° | 61.9° |
| C3 | C4 | C41 | H25 | 77.3° | 58.2° |
| C34 | C35 | C36 | H22 | 180.0° | 179.4° |
| C34 | C35 | C36 | C31 | 0.1° | 0.5° |
| C35 | C34 | C33 | H20 | 179.9° | 179.7° |
| C34 | C35 | C36 | H21 | 179.9° | 179.5° |
| C32 | C31 | C36 | C35 | 0.2° | 0.2° |
| C32 | C31 | C36 | C3 | 179.9° | 179.7° |
| C32 | C31 | C3 | C37 | 176.5° | 5.2° |
| C32 | C31 | C3 | C2 | 51.0° | 127.3° |
| C31 | C32 | C33 | H20 | 179.8° | 179.9° |
| C32 | C31 | C36 | H21 | 179.8° | 179.8° |
| O14 | C14 | C13 | C12 | 63.5° | 64.9° |
| O14 | C14 | C13 | C15 | 122.2° | 120.1° |
| O14 | C14 | C13 | H7 | 119.6° | 119.9° |
| O14 | C14 | C15 | H7 | 119.8° | 120.0° |
| O14 | C14 | C15 | O15 | 64.0° | 65.0° |
| O14 | C14 | C13 | H5 | 176.4° | 175.0° |
| O14 | C14 | C13 | H6 | 56.6° | 55.1° |
| O14 | C14 | C15 | H9 | 56.2° | 175.0° |
| O14 | C14 | C15 | H10 | 175.8° | 55.0° |
| N1 | C1 | C10 | N11 | 12.9° | 164.9° |
| N1 | C1 | C2 | C3 | 27.4° | 23.9° |
| N1 | C1 | C10 | C2 | 116.1° | 115.2° |
| N1 | C1 | C10 | H1 | 121.8° | 122.5° |
| N1 | C1 | C2 | H1 | 118.9° | 118.9° |
| N1 | C1 | C10 | O10 | 167.7° | 15.2° |
| N1 | C1 | C2 | C21 | 151.3° | 95.0° |
| N1 | C1 | C2 | H14 | 87.8° | 142.8° |
| C1 | N1 | C4 | H23 | 99.0° | 79.3° |
| C35 | C36 | C31 | H21 | 180.0° | 180.0° |
| C35 | C36 | C31 | C3 | 179.9° | 180.0° |
| N11 | C12 | C13 | H3 | 120.1° | 120.1° |
| N11 | C12 | C13 | H4 | 120.1° | 119.9° |
| C12 | N11 | C10 | H2 | 180.0° | 179.9° |
| N11 | C12 | C13 | C14 | 176.9° | 180.0° |
| C12 | N11 | C10 | C1 | 177.6° | 180.0° |
| C12 | N11 | C10 | O10 | 1.8° | 0.1° |
| N11 | C12 | H3 | H4 | 119.7° | 119.9° |
| N11 | C12 | C13 | H5 | 63.0° | 59.9° |
| N11 | C12 | C13 | H6 | 56.9° | 60.1° |
| C13 | C12 | N11 | C10 | 76.3° | 180.0° |
| C12 | C13 | C14 | H5 | 120.0° | 120.1° |
| C12 | C13 | C14 | H6 | 120.1° | 120.0° |
| C12 | C13 | C14 | C15 | 174.3° | 175.0° |
| C13 | C12 | N11 | H2 | 103.7° | 0.0° |
| C13 | C12 | H3 | H4 | 119.8° | 120.0° |
| C12 | C13 | H5 | H6 | 119.9° | 120.0° |
| C12 | C13 | C14 | H7 | 56.1° | 55.0° |
| C36 | C31 | C3 | C37 | 3.4° | 174.5° |
| C36 | C31 | C3 | C2 | 128.9° | 52.4° |
| C36 | C31 | C32 | H19 | 179.6° | 180.0° |
| C31 | C36 | C35 | H22 | 179.9° | 180.0° |
| C31 | C3 | C37 | C2 | 126.1° | 122.2° |
| C31 | C3 | C2 | C1 | 159.5° | 119.0° |
| C31 | C3 | C37 | N37 | 72.9° | 86.7° |
| C31 | C3 | C2 | C21 | 76.2° | 122.1° |
| C31 | C3 | C2 | H14 | 44.4° | 0.1° |
| C3 | C31 | C32 | H19 | 0.2° | 0.3° |
| C3 | C31 | C36 | H21 | 0.1° | 0.0° |
| C31 | C3 | C4 | H23 | 39.1° | 24.1° |
| N11 | C10 | C1 | O10 | 179.4° | 180.0° |
| N11 | C10 | C1 | C2 | 129.0° | 80.0° |
| N11 | C10 | C1 | H1 | 108.8° | 42.4° |
| C10 | N11 | C12 | H3 | 163.6° | 59.9° |
| C10 | N11 | C12 | H4 | 43.8° | 60.0° |
| C37 | C3 | C2 | C1 | 76.5° | 118.9° |
| C37 | C3 | C2 | C21 | 47.9° | 0.0° |
| C37 | C3 | C2 | H14 | 168.5° | 122.2° |
| C37 | C3 | C4 | H23 | 159.3° | 146.2° |
| C3 | C2 | C1 | C10 | 146.1° | 94.9° |
| C3 | C2 | C1 | C21 | 123.8° | 118.9° |
| C3 | C2 | C1 | H14 | 115.3° | 119.0° |
| C2 | C3 | C37 | N37 | 161.0° | 151.2° |
| C3 | C2 | C21 | H14 | 120.6° | 122.2° |
| C3 | C2 | C21 | C22 | 90.9° | 122.9° |
| C3 | C2 | C21 | C26 | 89.1° | 57.5° |
| C3 | C2 | C1 | H1 | 91.5° | 142.7° |
| C2 | C3 | C4 | H23 | 82.4° | 94.9° |
| C13 | C14 | C15 | H7 | 118.2° | 120.0° |
| C13 | C14 | C15 | O15 | 58.0° | 175.0° |
| C14 | C13 | C12 | H3 | 56.8° | 59.9° |
| C14 | C13 | C12 | H4 | 63.0° | 60.1° |
| C14 | C13 | H5 | H6 | 119.8° | 119.9° |
| C13 | C14 | O14 | H8 | 180.0° | 60.0° |
| C13 | C14 | C15 | H9 | 178.2° | 54.9° |
| C13 | C14 | C15 | H10 | 62.2° | 65.0° |
| C14 | C15 | O15 | H9 | 120.2° | 120.1° |
| C14 | C15 | O15 | H10 | 120.2° | 120.0° |
| C15 | C14 | C13 | H5 | 54.2° | 54.9° |
| C15 | C14 | C13 | H6 | 65.7° | 65.0° |
| C15 | C14 | O14 | H8 | 57.8° | 60.0° |
| C14 | C15 | H9 | H10 | 119.5° | 120.0° |
| C14 | C15 | O15 | H11 | 180.0° | 180.0° |
| C10 | C1 | C2 | H1 | 122.4° | 122.3° |
| C10 | C1 | C2 | C21 | 90.0° | 146.2° |
| C1 | C10 | N11 | H2 | 2.4° | 0.0° |
| C10 | C1 | N1 | H12 | 115.7° | 161.2° |
| C10 | C1 | C2 | H14 | 30.9° | 24.1° |
| C2 | C1 | C10 | O10 | 51.6° | 100.0° |
| C1 | C2 | C21 | H14 | 120.7° | 122.2° |
| C1 | C2 | C21 | C22 | 150.3° | 121.4° |
| C1 | C2 | C21 | C26 | 29.7° | 58.2° |
| C2 | C1 | N1 | H12 | 124.8° | 80.0° |
| O10 | C10 | C1 | H1 | 70.6° | 137.6° |
| O10 | C10 | N11 | H2 | 178.2° | 180.0° |
| C2 | C21 | C22 | C26 | 180.0° | 179.6° |
| C2 | C21 | C22 | C23 | 179.2° | 179.9° |
| C2 | C21 | C26 | C25 | 178.7° | 180.0° |
| C21 | C2 | C1 | H1 | 32.4° | 23.9° |
| C2 | C21 | C26 | H15 | 1.3° | 0.1° |
| C2 | C21 | C22 | H17 | 0.8° | 0.0° |
| O15 | C15 | C14 | H7 | 176.2° | 55.0° |
| O15 | C15 | H9 | H10 | 119.5° | 120.0° |
| C21 | C22 | C23 | H17 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 1.3° | 0.3° |
| C21 | C22 | C23 | CL2 | 178.4° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.1° |
| C22 | C21 | C2 | H14 | 29.6° | 0.7° |
| C22 | C21 | C26 | H15 | 178.7° | 179.7° |
| C26 | C21 | C22 | C23 | 0.8° | 0.3° |
| C21 | C26 | C25 | H15 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 0.4° | 0.1° |
| C26 | C21 | C2 | H14 | 150.4° | 179.6° |
| C21 | C26 | C25 | H16 | 179.6° | 180.0° |
| C26 | C21 | C22 | H17 | 179.2° | 179.7° |
| C22 | C23 | CL2 | C24 | 178.9° | 179.9° |
| C22 | C23 | C24 | C25 | 1.4° | 0.3° |
| C22 | C23 | C24 | H18 | 178.6° | 179.9° |
| C26 | C25 | C24 | C23 | 0.9° | 0.3° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | H18 | 179.0° | 179.9° |
| CL2 | C23 | C24 | C25 | 177.5° | 179.8° |
| CL2 | C23 | C22 | H17 | 1.6° | 0.1° |
| CL2 | C23 | C24 | H18 | 2.5° | 0.0° |
| C23 | C24 | C25 | H18 | 180.0° | 179.8° |
| C23 | C24 | C25 | H16 | 179.1° | 179.7° |
| C24 | C23 | C22 | H17 | 179.5° | 180.0° |
| C24 | C25 | C26 | H15 | 179.6° | 180.0° |
| H1 | C1 | N1 | H12 | 6.1° | 38.7° |
| H1 | C1 | C2 | H14 | 153.3° | 98.3° |
| H2 | N11 | C12 | H3 | 16.4° | 120.0° |
| H2 | N11 | C12 | H4 | 136.2° | 120.0° |
| H3 | C12 | C13 | H5 | 176.9° | NaN° |
| H3 | C12 | C13 | H6 | 63.2° | 60.0° |
| H4 | C12 | C13 | H5 | 57.1° | 60.0° |
| H4 | C12 | C13 | H6 | 177.0° | 180.0° |
| H5 | C13 | C14 | H7 | 63.9° | 65.1° |
| H6 | C13 | C14 | H7 | 176.2° | 175.0° |
| H7 | C14 | O14 | H8 | 61.2° | 180.0° |
| H7 | C14 | C15 | H9 | 63.6° | 65.0° |
| H7 | C14 | C15 | H10 | 56.0° | 175.0° |
| H9 | C15 | O15 | H11 | 59.9° | 60.0° |
| H10 | C15 | O15 | H11 | 59.8° | 60.0° |
| H12 | N1 | C4 | H23 | 141.4° | 161.2° |
| H15 | C26 | C25 | H16 | 0.4° | 0.1° |
| H16 | C25 | C24 | H18 | 0.9° | 0.1° |
| H19 | C32 | C33 | H20 | 0.2° | 0.1° |
| H21 | C36 | C35 | H22 | 0.1° | 0.1° |
| H23 | C4 | C41 | H24 | 79.3° | 175.7° |
| H23 | C4 | C41 | H25 | 161.2° | 64.3° |
| H26 | C45 | H27 | H28 | 120.0° | 120.0° |
| H29 | C44 | H30 | H31 | 120.0° | 120.0° |
| H32 | C43 | H33 | H34 | 120.0° | 120.0° |
