0W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C22 | sing | 1.74Å | 1.74Å | |
| C2 | C1 | sing | 1.54Å | 1.56Å | |
| C2 | C3 | sing | 1.54Å | 1.50Å | |
| C22 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C21 | sing | 1.51Å | 1.54Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C21 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.36Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.42Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.33Å | |
| N2 | C4 | sing | 1.35Å | 1.37Å | |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C6 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | N3 | sing | 1.46Å | 1.45Å | |
| C5 | C66 | sing | 1.53Å | 1.55Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C6 | N4 | sing | 1.35Å | 1.37Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.59Å | |
| C31 | N4 | sing | 1.47Å | 1.47Å | |
| C31 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C32 | C40 | sing | 1.53Å | 1.58Å | |
| C34 | C39 | sing | 1.53Å | 1.57Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C40 | C38 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.57Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| C66 | H11 | sing | 1.09Å | 1.10Å | |
| C66 | H12 | sing | 1.09Å | 1.10Å | |
| C66 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | 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 | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C22 | C23 | 115.5° | 120.0° |
| CL1 | C22 | C21 | 122.3° | 120.0° |
| C1 | C2 | C3 | 105.3° | 103.1° |
| C2 | C1 | C21 | 115.3° | 110.1° |
| C2 | C1 | N1 | 103.5° | 106.1° |
| C1 | C2 | H2 | 110.5° | 110.7° |
| C1 | C2 | H3 | 110.5° | 110.7° |
| C2 | C1 | H14 | 108.5° | 110.2° |
| C2 | C3 | N2 | 104.0° | 104.1° |
| C3 | C2 | H2 | 110.5° | 110.6° |
| C3 | C2 | H3 | 110.5° | 110.7° |
| C2 | C3 | H19 | 110.8° | 110.6° |
| C2 | C3 | H20 | 110.8° | 110.5° |
| C23 | C22 | C21 | 122.2° | 119.9° |
| C22 | C23 | C24 | 119.3° | 120.0° |
| C22 | C23 | H18 | 120.3° | 120.0° |
| C22 | C21 | C1 | 122.3° | 120.0° |
| C22 | C21 | C26 | 116.1° | 120.0° |
| C23 | C24 | C25 | 118.9° | 120.1° |
| C23 | C24 | H17 | 120.6° | 120.0° |
| C24 | C23 | H18 | 120.4° | 120.0° |
| C21 | C1 | N1 | 111.1° | 110.3° |
| C1 | C21 | C26 | 121.6° | 120.0° |
| C21 | C1 | H14 | 108.8° | 110.1° |
| C1 | N1 | C11 | 121.5° | 125.1° |
| C1 | N1 | N2 | 103.8° | 109.9° |
| N1 | C1 | H14 | 109.5° | 110.0° |
| C21 | C26 | C25 | 122.2° | 120.0° |
| C21 | C26 | H15 | 118.9° | 120.0° |
| C3 | N2 | N1 | 111.5° | 108.5° |
| C3 | N2 | C4 | 121.2° | 125.8° |
| N2 | C3 | H19 | 110.8° | 110.2° |
| N2 | C3 | H20 | 110.8° | 110.7° |
| C16 | C15 | C14 | 120.2° | 120.1° |
| C15 | C16 | C11 | 120.7° | 119.9° |
| C16 | C15 | H7 | 119.9° | 119.9° |
| C15 | C16 | H8 | 119.7° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.2° |
| C15 | C14 | H6 | 120.0° | 119.9° |
| C14 | C15 | H7 | 119.9° | 120.0° |
| C16 | C11 | N1 | 124.5° | 120.0° |
| C16 | C11 | C12 | 117.9° | 119.9° |
| C11 | C16 | H8 | 119.6° | 120.1° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H5 | 120.2° | 119.9° |
| C13 | C14 | H6 | 120.0° | 120.0° |
| N1 | C11 | C12 | 117.6° | 120.1° |
| C11 | N1 | N2 | 118.3° | 125.1° |
| C11 | C12 | C13 | 121.6° | 119.9° |
| C11 | C12 | F1 | 120.9° | 120.1° |
| N1 | N2 | C4 | 127.0° | 125.7° |
| C24 | C25 | C26 | 121.3° | 120.0° |
| C24 | C25 | H16 | 119.3° | 120.0° |
| C25 | C24 | H17 | 120.6° | 120.0° |
| C13 | C12 | F1 | 117.5° | 120.1° |
| C12 | C13 | H5 | 120.2° | 120.0° |
| N2 | C4 | C5 | 119.1° | 120.0° |
| N2 | C4 | O2 | 121.1° | 120.0° |
| C25 | C26 | H15 | 118.9° | 120.0° |
| C26 | C25 | H16 | 119.3° | 120.0° |
| O1 | C6 | N3 | 121.5° | 120.0° |
| O1 | C6 | N4 | 118.5° | 120.0° |
| C5 | C4 | O2 | 119.5° | 120.0° |
| C4 | C5 | N3 | 108.6° | 109.5° |
| C4 | C5 | C66 | 111.0° | 109.5° |
| C4 | C5 | H1 | 108.4° | 109.4° |
| N3 | C5 | C66 | 111.0° | 109.5° |
| C5 | N3 | C6 | 122.8° | 120.0° |
| N3 | C5 | H1 | 109.5° | 109.5° |
| C5 | N3 | H4 | 118.6° | 120.0° |
| C66 | C5 | H1 | 108.3° | 109.5° |
| C5 | C66 | H11 | 109.5° | 109.5° |
| C5 | C66 | H12 | 109.5° | 109.5° |
| C5 | C66 | H13 | 109.5° | 109.4° |
| N3 | C6 | N4 | 120.0° | 120.0° |
| C6 | N3 | H4 | 118.6° | 120.0° |
| C6 | N4 | C31 | 125.2° | 120.0° |
| C6 | N4 | H10 | 117.4° | 120.0° |
| C32 | C33 | C34 | 110.5° | 109.4° |
| C33 | C32 | C31 | 109.7° | 109.5° |
| C33 | C32 | C40 | 108.1° | 109.4° |
| C33 | C32 | H27 | 110.3° | 109.5° |
| C32 | C33 | H28 | 109.2° | 109.4° |
| C32 | C33 | H29 | 109.2° | 109.5° |
| C33 | C34 | C35 | 109.4° | 109.5° |
| C33 | C34 | C39 | 108.8° | 109.5° |
| C34 | C33 | H28 | 109.2° | 109.5° |
| C34 | C33 | H29 | 109.2° | 109.5° |
| C33 | C34 | H30 | 110.0° | 109.5° |
| C32 | C31 | N4 | 108.9° | 109.5° |
| C32 | C31 | C36 | 109.1° | 109.5° |
| C31 | C32 | C40 | 108.6° | 109.5° |
| C32 | C31 | H9 | 108.2° | 109.5° |
| C31 | C32 | H27 | 109.9° | 109.5° |
| N4 | C31 | C36 | 112.3° | 109.4° |
| N4 | C31 | H9 | 109.8° | 109.5° |
| C31 | N4 | H10 | 117.4° | 120.0° |
| C31 | C36 | C35 | 108.9° | 109.5° |
| C31 | C36 | C37 | 110.3° | 109.5° |
| C36 | C31 | H9 | 108.6° | 109.5° |
| C31 | C36 | H21 | 109.6° | 109.5° |
| C34 | C35 | C36 | 110.8° | 109.4° |
| C35 | C34 | C39 | 109.3° | 109.5° |
| C35 | C34 | H30 | 109.8° | 109.4° |
| C34 | C35 | H33 | 109.1° | 109.5° |
| C34 | C35 | H34 | 109.1° | 109.5° |
| C35 | C36 | C37 | 109.0° | 109.4° |
| C35 | C36 | H21 | 109.5° | 109.5° |
| C36 | C35 | H33 | 109.1° | 109.5° |
| C36 | C35 | H34 | 109.1° | 109.5° |
| C32 | C40 | C38 | 110.8° | 109.5° |
| C32 | C40 | H25 | 109.1° | 109.5° |
| C32 | C40 | H26 | 109.1° | 109.5° |
| C40 | C32 | H27 | 110.1° | 109.4° |
| C34 | C39 | C38 | 109.7° | 109.4° |
| C39 | C34 | H30 | 109.5° | 109.5° |
| C34 | C39 | H31 | 109.4° | 109.4° |
| C34 | C39 | H32 | 109.4° | 109.4° |
| C36 | C37 | C38 | 110.5° | 109.5° |
| C37 | C36 | H21 | 109.5° | 109.5° |
| C36 | C37 | H22 | 109.2° | 109.4° |
| C36 | C37 | H23 | 109.2° | 109.4° |
| C40 | C38 | C39 | 108.7° | 109.4° |
| C40 | C38 | C37 | 109.1° | 109.5° |
| C40 | C38 | H24 | 110.1° | 109.5° |
| C38 | C40 | H25 | 109.1° | 109.4° |
| C38 | C40 | H26 | 109.2° | 109.5° |
| C39 | C38 | C37 | 109.0° | 109.5° |
| C39 | C38 | H24 | 109.9° | 109.4° |
| C38 | C39 | H31 | 109.4° | 109.5° |
| C38 | C39 | H32 | 109.4° | 109.5° |
| C38 | C37 | H22 | 109.2° | 109.5° |
| C38 | C37 | H23 | 109.2° | 109.5° |
| C37 | C38 | H24 | 109.9° | 109.5° |
| H2 | C2 | H3 | 109.5° | 110.8° |
| H11 | C66 | H12 | 109.5° | 109.5° |
| H11 | C66 | H13 | 109.4° | 109.5° |
| H12 | C66 | H13 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 110.6° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H25 | C40 | H26 | 109.5° | 109.4° |
| H28 | C33 | H29 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.6° |
| H33 | C35 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C22 | C23 | C21 | 180.0° | 179.4° |
| CL1 | C22 | C23 | C24 | 179.9° | 180.0° |
| CL1 | C22 | C21 | C1 | 0.1° | 0.3° |
| CL1 | C22 | C21 | C26 | 179.9° | 180.0° |
| CL1 | C22 | C23 | H18 | 0.1° | 0.3° |
| C1 | C2 | C3 | H2 | 119.3° | 118.4° |
| C1 | C2 | C3 | H3 | 119.3° | 118.4° |
| C2 | C1 | C21 | C22 | 77.0° | 87.8° |
| C2 | C1 | C21 | N1 | 117.3° | 116.8° |
| C2 | C1 | C21 | H14 | 122.1° | 121.7° |
| C2 | C1 | N1 | H14 | 115.5° | 119.2° |
| C2 | C1 | C21 | C26 | 103.2° | 91.9° |
| C1 | C2 | C3 | N2 | 8.8° | 26.5° |
| C2 | C1 | N1 | C11 | 102.0° | 178.1° |
| C2 | C1 | N1 | N2 | 34.3° | 1.6° |
| C1 | C2 | H2 | H3 | 121.9° | 123.2° |
| C1 | C2 | C3 | H19 | 128.0° | 91.8° |
| C1 | C2 | C3 | H20 | 110.3° | 145.4° |
| C3 | C2 | C1 | C21 | 94.8° | 135.0° |
| C3 | C2 | C1 | N1 | 26.7° | 15.6° |
| C2 | C3 | N2 | H19 | 119.1° | 118.6° |
| C2 | C3 | N2 | H20 | 119.1° | 118.8° |
| C2 | C3 | N2 | N1 | 13.4° | 29.0° |
| C2 | C3 | N2 | C4 | 160.8° | 151.0° |
| C3 | C2 | H2 | H3 | 122.0° | 123.2° |
| C3 | C2 | C1 | H14 | 142.9° | 103.4° |
| C2 | C3 | H19 | H20 | 122.5° | 122.8° |
| C22 | C23 | C24 | H18 | 180.0° | 179.7° |
| C23 | C22 | C21 | C1 | 179.9° | 179.7° |
| C23 | C22 | C21 | C26 | 0.1° | 0.6° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| C22 | C23 | C24 | H17 | 179.9° | 179.7° |
| C21 | C22 | C23 | C24 | 0.1° | 0.6° |
| C22 | C21 | C1 | C26 | 179.8° | 179.7° |
| C22 | C21 | C1 | N1 | 165.7° | 155.4° |
| C22 | C21 | C26 | C25 | 0.1° | 0.3° |
| C22 | C21 | C1 | H14 | 45.1° | 33.9° |
| C22 | C21 | C26 | H15 | 179.9° | 179.8° |
| C21 | C22 | C23 | H18 | 179.9° | 179.7° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H16 | 179.9° | 180.0° |
| C21 | C1 | N1 | H14 | 120.2° | 121.6° |
| C21 | C1 | N1 | C11 | 133.7° | 62.7° |
| C21 | C1 | N1 | N2 | 90.0° | 117.6° |
| C1 | C21 | C26 | C25 | 179.9° | 180.0° |
| C21 | C1 | C2 | H2 | 145.9° | 106.7° |
| C21 | C1 | C2 | H3 | 24.6° | 16.6° |
| C1 | C21 | C26 | H15 | 0.1° | 0.1° |
| N1 | C1 | C21 | C26 | 14.1° | 24.9° |
| C1 | N1 | N2 | C3 | 30.8° | 19.5° |
| C1 | N1 | C11 | C16 | 96.2° | 112.2° |
| C1 | N1 | C11 | N2 | 130.4° | 179.7° |
| C1 | N1 | C11 | C12 | 83.8° | 68.1° |
| C1 | N1 | N2 | C4 | 142.9° | 160.5° |
| N1 | C1 | C2 | H2 | 92.6° | 133.9° |
| N1 | C1 | C2 | H3 | 146.1° | 102.8° |
| C21 | C26 | C25 | C24 | 0.1° | 0.0° |
| C21 | C26 | C25 | H15 | 180.0° | 179.9° |
| C26 | C21 | C1 | H14 | 134.7° | 146.4° |
| C21 | C26 | C25 | H16 | 179.9° | 180.0° |
| C3 | N2 | N1 | C11 | 107.2° | 160.2° |
| C3 | N2 | N1 | C4 | 173.8° | 180.0° |
| C3 | N2 | C4 | C5 | 5.8° | 4.3° |
| C3 | N2 | C4 | O2 | 167.2° | 175.6° |
| N2 | C3 | C2 | H2 | 110.5° | 144.8° |
| N2 | C3 | C2 | H3 | 128.2° | 91.9° |
| N2 | C3 | H19 | H20 | 122.5° | 122.7° |
| C16 | C15 | C14 | H7 | 180.0° | 179.5° |
| C15 | C16 | C11 | H8 | 180.0° | 179.4° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C15 | C16 | C11 | N1 | 179.8° | 179.7° |
| C15 | C16 | C11 | C12 | 0.2° | 0.6° |
| C16 | C15 | C14 | H6 | 179.9° | 179.8° |
| C14 | C15 | C16 | C11 | 0.1° | 0.6° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H5 | 179.8° | 180.0° |
| C14 | C15 | C16 | H8 | 179.9° | 180.0° |
| C16 | C11 | N1 | C12 | 179.9° | 179.7° |
| C16 | C11 | N1 | N2 | 34.2° | 68.2° |
| C16 | C11 | C12 | C13 | 0.1° | 0.2° |
| C16 | C11 | C12 | F1 | 179.9° | 179.7° |
| C11 | C16 | C15 | H7 | 179.9° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C14 | C13 | C12 | F1 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.9° | 179.7° |
| N1 | C11 | C12 | C13 | 179.9° | 180.0° |
| N1 | C11 | C12 | F1 | 0.2° | 0.0° |
| C11 | N1 | N2 | C4 | 79.1° | 19.8° |
| N1 | C11 | C16 | H8 | 0.2° | 0.3° |
| C11 | N1 | C1 | H14 | 13.6° | 58.9° |
| C12 | C11 | N1 | N2 | 145.9° | 111.6° |
| C11 | C12 | C13 | F1 | 179.9° | 179.9° |
| C11 | C12 | C13 | H5 | 179.9° | 180.0° |
| C12 | C11 | C16 | H8 | 179.9° | 180.0° |
| N1 | N2 | C4 | C5 | 179.1° | 175.7° |
| N1 | N2 | C4 | O2 | 6.0° | 4.4° |
| N2 | N1 | C1 | H14 | 149.9° | 120.8° |
| N1 | N2 | C3 | H19 | 105.7° | 89.6° |
| N1 | N2 | C3 | H20 | 132.5° | 147.8° |
| C24 | C25 | C26 | H16 | 180.0° | 180.0° |
| C24 | C25 | C26 | H15 | 179.9° | 179.9° |
| C25 | C24 | C23 | H18 | 179.9° | 180.0° |
| C12 | C13 | C14 | H6 | 179.9° | 179.9° |
| F1 | C12 | C13 | H5 | 0.0° | 0.0° |
| N2 | C4 | C5 | O2 | 173.2° | 179.9° |
| N2 | C4 | C5 | N3 | 117.1° | 166.1° |
| N2 | C4 | C5 | C66 | 120.6° | 73.9° |
| N2 | C4 | C5 | H1 | 1.8° | 46.0° |
| C4 | N2 | C3 | H19 | 80.1° | 90.4° |
| C4 | N2 | C3 | H20 | 41.7° | 32.2° |
| C26 | C25 | C24 | H17 | 179.9° | 180.0° |
| O1 | C6 | N3 | C5 | 0.7° | 0.1° |
| O1 | C6 | N3 | N4 | 179.8° | 180.0° |
| O1 | C6 | N4 | C31 | 1.3° | 0.0° |
| O1 | C6 | N3 | H4 | 179.3° | 180.0° |
| O1 | C6 | N4 | H10 | 178.7° | 180.0° |
| C4 | C5 | N3 | C66 | 122.3° | 120.0° |
| C4 | C5 | N3 | H1 | 118.2° | 120.0° |
| C4 | C5 | C66 | H1 | 118.9° | 119.9° |
| C4 | C5 | N3 | C6 | 73.1° | 155.0° |
| C4 | C5 | N3 | H4 | 106.9° | 24.9° |
| C4 | C5 | C66 | H11 | 180.0° | 55.9° |
| C4 | C5 | C66 | H12 | 60.0° | 176.0° |
| C4 | C5 | C66 | H13 | 60.0° | 64.0° |
| O2 | C4 | C5 | N3 | 56.1° | 13.9° |
| O2 | C4 | C5 | C66 | 66.2° | 106.1° |
| O2 | C4 | C5 | H1 | 175.0° | 133.9° |
| N3 | C5 | C66 | H1 | 120.2° | 120.0° |
| C5 | N3 | C6 | H4 | 180.0° | 179.9° |
| C5 | N3 | C6 | N4 | 179.1° | 180.0° |
| N3 | C5 | C66 | H11 | 59.1° | 176.0° |
| N3 | C5 | C66 | H12 | 60.9° | 64.0° |
| N3 | C5 | C66 | H13 | 179.1° | 56.0° |
| C66 | C5 | N3 | C6 | 164.7° | 85.0° |
| C66 | C5 | N3 | H4 | 15.4° | 95.1° |
| C5 | C66 | H11 | H12 | 120.0° | 120.1° |
| C5 | C66 | H11 | H13 | 120.0° | 120.0° |
| C5 | C66 | H12 | H13 | 120.0° | 120.0° |
| N3 | C6 | N4 | C31 | 178.5° | 180.0° |
| C6 | N3 | C5 | H1 | 45.2° | 35.0° |
| N3 | C6 | N4 | H10 | 1.5° | 0.0° |
| C6 | N4 | C31 | C32 | 101.7° | 155.0° |
| C6 | N4 | C31 | H10 | 180.0° | 180.0° |
| C6 | N4 | C31 | C36 | 137.4° | 85.0° |
| N4 | C6 | N3 | H4 | 0.9° | 0.1° |
| C6 | N4 | C31 | H9 | 16.5° | 34.9° |
| C32 | C33 | C34 | H28 | 120.2° | 120.0° |
| C32 | C33 | C34 | H29 | 120.2° | 120.0° |
| C33 | C32 | C31 | C40 | 118.0° | 120.0° |
| C33 | C32 | C31 | H27 | 121.5° | 120.0° |
| C33 | C32 | C31 | N4 | 178.4° | 180.0° |
| C33 | C32 | C31 | C36 | 58.9° | 60.0° |
| C32 | C33 | C34 | C35 | 58.2° | 60.0° |
| C33 | C32 | C40 | H27 | 120.6° | 120.0° |
| C32 | C33 | C34 | C39 | 61.2° | 60.0° |
| C33 | C32 | C40 | C38 | 59.4° | 60.0° |
| C33 | C32 | C31 | H9 | 59.1° | 60.0° |
| C33 | C32 | C40 | H25 | 60.8° | 180.0° |
| C33 | C32 | C40 | H26 | 179.6° | 60.0° |
| C32 | C33 | H28 | H29 | 119.6° | 120.0° |
| C32 | C33 | C34 | H30 | 178.9° | 179.9° |
| C34 | C33 | C32 | C31 | 58.2° | 60.0° |
| C33 | C34 | C35 | C39 | 119.1° | 120.0° |
| C33 | C34 | C35 | H30 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 59.9° | 60.0° |
| C34 | C33 | C32 | C40 | 60.0° | 60.0° |
| C33 | C34 | C39 | H30 | 120.2° | 120.0° |
| C33 | C34 | C39 | C38 | 60.6° | 60.0° |
| C34 | C33 | C32 | H27 | 179.5° | 180.0° |
| C34 | C33 | H28 | H29 | 119.5° | 120.1° |
| C33 | C34 | C39 | H31 | 179.4° | 59.9° |
| C33 | C34 | C39 | H32 | 59.5° | 180.0° |
| C33 | C34 | C35 | H33 | 60.3° | 179.9° |
| C33 | C34 | C35 | H34 | 179.9° | 60.0° |
| C32 | C31 | N4 | C36 | 120.8° | 120.0° |
| C32 | C31 | N4 | H9 | 118.3° | 120.0° |
| C32 | C31 | C36 | H9 | 117.7° | 120.1° |
| C32 | C31 | C36 | C35 | 59.7° | 60.0° |
| C31 | C32 | C40 | H27 | 120.4° | 120.0° |
| C32 | C31 | C36 | C37 | 59.8° | 60.0° |
| C31 | C32 | C40 | C38 | 59.6° | 60.0° |
| C32 | C31 | N4 | H10 | 78.3° | 25.0° |
| C32 | C31 | C36 | H21 | 179.5° | 180.0° |
| C31 | C32 | C40 | H25 | 179.8° | 60.0° |
| C31 | C32 | C40 | H26 | 60.6° | 180.0° |
| C31 | C32 | C33 | H28 | 61.9° | 60.0° |
| C31 | C32 | C33 | H29 | 178.4° | 180.0° |
| N4 | C31 | C36 | H9 | 121.6° | 120.0° |
| N4 | C31 | C36 | C35 | 179.6° | 180.0° |
| N4 | C31 | C32 | C40 | 63.6° | 60.0° |
| N4 | C31 | C36 | C37 | 60.9° | 60.0° |
| N4 | C31 | C36 | H21 | 59.7° | 60.0° |
| N4 | C31 | C32 | H27 | 56.9° | 60.0° |
| C31 | C36 | C35 | C34 | 61.0° | 60.0° |
| C31 | C36 | C35 | C37 | 120.3° | 120.0° |
| C31 | C36 | C35 | H21 | 119.9° | 120.0° |
| C36 | C31 | C32 | C40 | 59.1° | 60.0° |
| C31 | C36 | C37 | H21 | 120.7° | 120.0° |
| C31 | C36 | C37 | C38 | 59.9° | 60.0° |
| C36 | C31 | N4 | H10 | 42.6° | 95.0° |
| C31 | C36 | C37 | H22 | 60.3° | 60.0° |
| C31 | C36 | C37 | H23 | 179.9° | 180.0° |
| C36 | C31 | C32 | H27 | 179.6° | 179.9° |
| C31 | C36 | C35 | H33 | 59.2° | 180.0° |
| C31 | C36 | C35 | H34 | 178.8° | 60.0° |
| C34 | C35 | C36 | H33 | 120.2° | 120.1° |
| C34 | C35 | C36 | H34 | 120.2° | 119.9° |
| C35 | C34 | C39 | H30 | 120.3° | 119.9° |
| C34 | C35 | C36 | C37 | 59.3° | 60.0° |
| C35 | C34 | C39 | C38 | 58.9° | 60.0° |
| C34 | C35 | C36 | H21 | 179.1° | 180.0° |
| C35 | C34 | C33 | H28 | 61.9° | 60.0° |
| C35 | C34 | C33 | H29 | 178.4° | 180.0° |
| C35 | C34 | C39 | H31 | 61.1° | 180.0° |
| C35 | C34 | C39 | H32 | 179.0° | 59.9° |
| C34 | C35 | H33 | H34 | 119.4° | 120.0° |
| C36 | C35 | C34 | C39 | 59.3° | 60.1° |
| C35 | C36 | C37 | H21 | 119.8° | 120.0° |
| C35 | C36 | C37 | C38 | 59.6° | 60.0° |
| C35 | C36 | C31 | H9 | 58.0° | 60.0° |
| C35 | C36 | C37 | H22 | 179.7° | 180.0° |
| C35 | C36 | C37 | H23 | 60.6° | 60.0° |
| C36 | C35 | C34 | H30 | 179.4° | 180.0° |
| C36 | C35 | H33 | H34 | 119.4° | 120.0° |
| C32 | C40 | C38 | H25 | 120.2° | 120.0° |
| C32 | C40 | C38 | H26 | 120.2° | 120.1° |
| C32 | C40 | C38 | C39 | 59.6° | 60.0° |
| C32 | C40 | C38 | C37 | 59.2° | 60.0° |
| C40 | C32 | C31 | H9 | 177.1° | 180.0° |
| C32 | C40 | C38 | H24 | 179.9° | 180.0° |
| C32 | C40 | H25 | H26 | 119.4° | 120.0° |
| C40 | C32 | C33 | H28 | 179.8° | 180.0° |
| C40 | C32 | C33 | H29 | 60.1° | 60.0° |
| C34 | C39 | C38 | C40 | 59.7° | 60.0° |
| C34 | C39 | C38 | H31 | 120.0° | 120.0° |
| C34 | C39 | C38 | H32 | 120.0° | 119.9° |
| C34 | C39 | C38 | C37 | 59.2° | 60.0° |
| C34 | C39 | C38 | H24 | 179.8° | 180.0° |
| C39 | C34 | C33 | H28 | 178.7° | 180.0° |
| C39 | C34 | C33 | H29 | 59.0° | 59.9° |
| C34 | C39 | H31 | H32 | 119.9° | 120.0° |
| C39 | C34 | C35 | H33 | 179.4° | 60.0° |
| C39 | C34 | C35 | H34 | 61.0° | 180.0° |
| C36 | C37 | C38 | C40 | 58.7° | 60.0° |
| C36 | C37 | C38 | C39 | 59.9° | 60.0° |
| C36 | C37 | C38 | H22 | 120.2° | 119.9° |
| C36 | C37 | C38 | H23 | 120.1° | 120.0° |
| C37 | C36 | C31 | H9 | 177.6° | 180.0° |
| C36 | C37 | H22 | H23 | 119.5° | 119.9° |
| C36 | C37 | C38 | H24 | 179.5° | 180.0° |
| C37 | C36 | C35 | H33 | 179.5° | 60.0° |
| C37 | C36 | C35 | H34 | 60.9° | 180.0° |
| C40 | C38 | C39 | C37 | 118.9° | 120.0° |
| C40 | C38 | C39 | H24 | 120.6° | 120.0° |
| C40 | C38 | C37 | H24 | 120.8° | 120.0° |
| C40 | C38 | C37 | H22 | 61.5° | 60.0° |
| C40 | C38 | C37 | H23 | 178.8° | 179.9° |
| C38 | C40 | H25 | H26 | 119.4° | 120.0° |
| C38 | C40 | C32 | H27 | 180.0° | 180.0° |
| C40 | C38 | C39 | H31 | 179.7° | 59.9° |
| C40 | C38 | C39 | H32 | 60.3° | 179.9° |
| C39 | C38 | C37 | H24 | 120.5° | 120.0° |
| C39 | C38 | C37 | H22 | 179.9° | 180.0° |
| C39 | C38 | C37 | H23 | 60.2° | 60.0° |
| C39 | C38 | C40 | H25 | 60.5° | 180.0° |
| C39 | C38 | C40 | H26 | 179.8° | 60.0° |
| C38 | C39 | C34 | H30 | 179.2° | 180.0° |
| C38 | C39 | H31 | H32 | 119.9° | 120.1° |
| C38 | C37 | C36 | H21 | 179.4° | 180.0° |
| C38 | C37 | H22 | H23 | 119.5° | 120.1° |
| C37 | C38 | C40 | H25 | 179.3° | 60.0° |
| C37 | C38 | C40 | H26 | 61.0° | 180.0° |
| C37 | C38 | C39 | H31 | 60.8° | 180.0° |
| C37 | C38 | C39 | H32 | 179.2° | 59.9° |
| H1 | C5 | N3 | H4 | 134.8° | 144.9° |
| H1 | C5 | C66 | H11 | 61.1° | 64.0° |
| H1 | C5 | C66 | H12 | 178.9° | 56.0° |
| H1 | C5 | C66 | H13 | 58.9° | 176.0° |
| H2 | C2 | C1 | H14 | 23.6° | 14.9° |
| H2 | C2 | C3 | H19 | 8.6° | 26.5° |
| H2 | C2 | C3 | H20 | 130.4° | 96.2° |
| H3 | C2 | C1 | H14 | 97.7° | 138.2° |
| H3 | C2 | C3 | H19 | 112.7° | 149.8° |
| H3 | C2 | C3 | H20 | 9.1° | 27.0° |
| H5 | C13 | C14 | H6 | 0.1° | 0.0° |
| H6 | C14 | C15 | H7 | 0.1° | 0.3° |
| H7 | C15 | C16 | H8 | 0.1° | 0.5° |
| H9 | C31 | N4 | H10 | 163.5° | 145.0° |
| H9 | C31 | C36 | H21 | 61.8° | 59.9° |
| H9 | C31 | C32 | H27 | 62.4° | 60.0° |
| H11 | C66 | H12 | H13 | 120.0° | 120.0° |
| H15 | C26 | C25 | H16 | 0.1° | 0.1° |
| H16 | C25 | C24 | H17 | 0.1° | 0.0° |
| H17 | C24 | C23 | H18 | 0.1° | 0.0° |
| H21 | C36 | C37 | H22 | 60.4° | 60.0° |
| H21 | C36 | C37 | H23 | 59.3° | 60.0° |
| H21 | C36 | C35 | H33 | 60.7° | 60.0° |
| H21 | C36 | C35 | H34 | 58.9° | 60.0° |
| H22 | C37 | C38 | H24 | 59.3° | 60.1° |
| H23 | C37 | C38 | H24 | 60.3° | 60.0° |
| H24 | C38 | C40 | H25 | 59.9° | 60.0° |
| H24 | C38 | C40 | H26 | 59.7° | 59.9° |
| H24 | C38 | C39 | H31 | 59.7° | 60.1° |
| H24 | C38 | C39 | H32 | 60.2° | 60.1° |
| H25 | C40 | C32 | H27 | 59.8° | 60.0° |
| H26 | C40 | C32 | H27 | 59.8° | 60.0° |
| H27 | C32 | C33 | H28 | 59.4° | 60.0° |
| H27 | C32 | C33 | H29 | 60.3° | 60.0° |
| H28 | C33 | C34 | H30 | 58.7° | 60.0° |
| H29 | C33 | C34 | H30 | 61.0° | 60.1° |
| H30 | C34 | C39 | H31 | 59.2° | 60.1° |
| H30 | C34 | C39 | H32 | 60.7° | 60.0° |
| H30 | C34 | C35 | H33 | 60.4° | 60.0° |
| H30 | C34 | C35 | H34 | 59.2° | 60.0° |
