63C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.55Å | 1.55Å | |
| C2 | C5 | sing | 1.51Å | 1.54Å | |
| C2 | C9 | sing | 1.55Å | 1.58Å | |
| C3 | C7 | sing | 1.51Å | 1.48Å | |
| C3 | C8 | sing | 1.54Å | 1.56Å | |
| N4 | C8 | sing | 1.48Å | 1.46Å | |
| N4 | C9 | sing | 1.49Å | 1.51Å | |
| N4 | C1 | sing | 1.47Å | 1.46Å | |
| C5 | N12 | sing | 1.35Å | 1.36Å | |
| C5 | O20 | doub | 1.21Å | 1.23Å | |
| N6 | C10 | sing | 1.35Å | 1.43Å | |
| N6 | C11 | sing | 1.40Å | 1.46Å | |
| N6 | C19 | sing | 1.36Å | 1.45Å | |
| C7 | N14 | sing | 1.35Å | 1.42Å | |
| C7 | O21 | doub | 1.21Å | 1.21Å | |
| C10 | C22 | sing | 1.40Å | 1.46Å | |
| C10 | O23 | doub | 1.22Å | 1.27Å | |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| N12 | C15 | sing | 1.40Å | 1.41Å | |
| C13 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C28 | sing | 1.40Å | 1.48Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | F30 | sing | 1.35Å | 1.34Å | |
| C19 | C26 | doub | 1.35Å | 1.36Å | |
| C22 | C27 | doub | 1.36Å | 1.37Å | |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.44Å | |
| C28 | C33 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | CL | sing | 1.74Å | 1.74Å | |
| C33 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C40 | sing | 1.51Å | 71.32Å | |
| C40 | O41 | doub | 1.21Å | 0.00Å | |
| C40 | N42 | sing | 1.35Å | 0.00Å | |
| N42 | C43 | sing | 1.47Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N42 | H42 | sing | 0.97Å | 0.00Å | |
| C43 | H50 | sing | 1.09Å | 0.00Å | |
| C43 | H51 | sing | 1.09Å | 0.00Å | |
| C43 | H52 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C5 | 105.9° | 110.7° |
| C3 | C2 | C9 | 103.6° | 102.9° |
| C2 | C3 | C7 | 108.0° | 110.3° |
| C2 | C3 | C8 | 106.6° | 105.1° |
| C3 | C2 | H2 | 115.9° | 110.7° |
| C2 | C3 | H3 | 113.0° | 110.3° |
| C5 | C2 | C9 | 111.0° | 110.7° |
| C2 | C5 | N12 | 123.0° | 120.0° |
| C2 | C5 | O20 | 122.9° | 120.0° |
| C5 | C2 | H2 | 109.1° | 110.7° |
| C2 | C9 | N4 | 103.3° | 103.2° |
| C9 | C2 | H2 | 111.2° | 110.8° |
| C2 | C9 | H91C | 111.6° | 110.7° |
| C2 | C9 | H92C | 112.9° | 110.6° |
| C7 | C3 | C8 | 111.6° | 110.3° |
| C3 | C7 | N14 | 123.3° | 120.0° |
| C3 | C7 | O21 | 117.6° | 120.0° |
| C7 | C3 | H3 | 108.1° | 110.3° |
| C3 | C8 | N4 | 104.0° | 107.0° |
| C8 | C3 | H3 | 109.5° | 110.4° |
| C3 | C8 | H81C | 111.4° | 109.9° |
| C3 | C8 | H82C | 112.5° | 109.9° |
| C8 | N4 | C9 | 114.2° | 105.9° |
| C8 | N4 | C1 | 121.7° | 110.9° |
| N4 | C8 | H81C | 111.3° | 109.9° |
| N4 | C8 | H82C | 112.5° | 109.9° |
| C9 | N4 | C1 | 123.7° | 111.0° |
| N4 | C9 | H91C | 111.6° | 110.6° |
| N4 | C9 | H92C | 112.9° | 110.7° |
| N4 | C1 | C40 | 23.3° | 109.5° |
| N4 | C1 | H11C | 157.6° | 109.4° |
| N4 | C1 | H12C | 158.7° | 109.5° |
| N12 | C5 | O20 | 111.2° | 120.0° |
| C5 | N12 | C15 | 119.5° | 120.0° |
| C5 | N12 | H12 | 120.2° | 120.0° |
| C10 | N6 | C11 | 118.3° | 119.6° |
| C10 | N6 | C19 | 121.3° | 120.7° |
| N6 | C10 | C22 | 116.5° | 120.0° |
| N6 | C10 | O23 | 118.0° | 120.0° |
| C11 | N6 | C19 | 120.4° | 119.7° |
| N6 | C11 | C13 | 116.8° | 120.0° |
| N6 | C11 | C24 | 121.1° | 120.0° |
| N6 | C19 | C26 | 119.1° | 120.7° |
| N6 | C19 | H19 | 120.4° | 119.6° |
| N14 | C7 | O21 | 118.9° | 120.0° |
| C7 | N14 | C28 | 129.2° | 120.0° |
| C7 | N14 | H14 | 115.4° | 120.0° |
| C22 | C10 | O23 | 125.4° | 120.0° |
| C10 | C22 | C27 | 121.5° | 119.4° |
| C10 | C22 | H22 | 119.2° | 120.3° |
| C13 | C11 | C24 | 122.1° | 120.1° |
| C11 | C13 | C16 | 115.2° | 119.9° |
| C11 | C13 | H13 | 122.4° | 120.0° |
| C11 | C24 | C25 | 121.6° | 120.0° |
| C11 | C24 | H24 | 119.2° | 120.0° |
| N12 | C15 | C16 | 110.2° | 120.0° |
| N12 | C15 | C25 | 125.3° | 120.0° |
| C15 | N12 | H12 | 120.2° | 120.0° |
| C13 | C16 | C15 | 124.1° | 119.9° |
| C13 | C16 | F30 | 120.9° | 120.0° |
| C16 | C13 | H13 | 122.4° | 120.0° |
| N14 | C28 | C33 | 117.3° | 120.0° |
| N14 | C28 | C34 | 122.1° | 120.1° |
| C28 | N14 | H14 | 115.4° | 120.0° |
| C16 | C15 | C25 | 121.8° | 120.0° |
| C15 | C16 | F30 | 115.0° | 120.0° |
| C15 | C25 | C24 | 115.3° | 120.1° |
| C15 | C25 | H25 | 122.3° | 120.0° |
| C19 | C26 | C27 | 121.1° | 120.0° |
| C26 | C19 | H19 | 120.4° | 119.7° |
| C19 | C26 | H26 | 119.5° | 120.0° |
| C22 | C27 | C26 | 120.2° | 119.3° |
| C27 | C22 | H22 | 119.3° | 120.3° |
| C22 | C27 | H27 | 119.9° | 120.3° |
| C25 | C24 | H24 | 119.2° | 120.0° |
| C24 | C25 | H25 | 122.4° | 120.0° |
| C27 | C26 | H26 | 119.5° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.4° |
| C33 | C28 | C34 | 120.1° | 119.9° |
| C28 | C33 | C36 | 120.1° | 119.9° |
| C28 | C33 | H33 | 120.0° | 120.0° |
| C28 | C34 | C35 | 121.1° | 119.9° |
| C28 | C34 | H34 | 119.4° | 120.1° |
| C35 | C31 | C36 | 121.6° | 120.1° |
| C35 | C31 | CL | 120.3° | 119.9° |
| C31 | C35 | C34 | 117.6° | 120.0° |
| C31 | C35 | H35 | 121.2° | 120.0° |
| C36 | C31 | CL | 117.9° | 119.9° |
| C31 | C36 | C33 | 119.4° | 120.0° |
| C31 | C36 | H36 | 120.3° | 120.0° |
| C36 | C33 | H33 | 120.0° | 120.1° |
| C33 | C36 | H36 | 120.3° | 120.0° |
| C35 | C34 | H34 | 119.4° | 120.0° |
| C34 | C35 | H35 | 121.2° | 119.9° |
| C1 | C40 | O41 | 90.0° | 120.0° |
| C1 | C40 | N42 | 90.0° | 120.0° |
| C40 | C1 | H11C | 157.6° | 109.5° |
| C40 | C1 | H12C | 158.7° | 109.5° |
| O41 | C40 | N42 | 90.0° | 120.0° |
| C40 | N42 | C43 | 90.0° | 120.0° |
| C40 | N42 | H42 | 90.0° | 120.0° |
| C43 | N42 | H42 | 90.0° | 120.0° |
| N42 | C43 | H50 | 90.0° | 109.4° |
| N42 | C43 | H51 | 90.0° | 109.5° |
| N42 | C43 | H52 | 90.0° | 109.5° |
| H91C | C9 | H92C | 104.8° | 110.8° |
| H81C | C8 | H82C | 105.3° | 110.1° |
| H11C | C1 | H12C | 37.2° | 109.5° |
| H50 | C43 | H51 | 90.0° | 109.4° |
| H50 | C43 | H52 | 90.0° | 109.5° |
| H51 | C43 | H52 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C5 | C9 | 111.8° | 113.5° |
| C3 | C2 | C5 | H2 | 125.4° | 123.1° |
| C3 | C2 | C9 | H2 | 125.2° | 118.4° |
| C2 | C3 | C7 | C8 | 116.9° | 115.8° |
| C2 | C3 | C7 | H3 | 122.6° | 122.1° |
| C2 | C3 | C8 | H3 | 122.6° | 118.9° |
| C2 | C3 | C8 | N4 | 21.3° | 1.3° |
| C3 | C2 | C9 | N4 | 25.3° | 37.4° |
| C3 | C2 | C5 | N12 | 81.5° | 180.0° |
| C3 | C2 | C5 | O20 | 77.9° | 0.0° |
| C2 | C3 | C7 | N14 | 164.1° | 180.0° |
| C2 | C3 | C7 | O21 | 21.8° | 0.0° |
| C3 | C2 | C9 | H91C | 145.3° | 155.8° |
| C3 | C2 | C9 | H92C | 97.0° | 81.0° |
| C2 | C3 | C8 | H81C | 141.3° | 118.1° |
| C2 | C3 | C8 | H82C | 100.7° | 120.6° |
| C5 | C2 | C9 | H2 | 121.6° | 123.3° |
| C5 | C2 | C3 | C7 | 94.0° | 100.8° |
| C5 | C2 | C3 | C8 | 146.0° | 140.3° |
| C5 | C2 | C9 | N4 | 138.5° | 155.8° |
| C2 | C5 | N12 | O20 | 161.6° | 180.0° |
| C2 | C5 | N12 | C15 | 174.2° | 174.7° |
| C5 | C2 | C3 | H3 | 25.6° | 21.3° |
| C5 | C2 | C9 | H91C | 101.5° | 85.8° |
| C5 | C2 | C9 | H92C | 16.2° | 37.4° |
| C2 | C5 | N12 | H12 | 5.8° | 5.3° |
| C9 | C2 | C3 | C7 | 149.1° | 140.9° |
| C9 | C2 | C3 | C8 | 29.1° | 21.9° |
| C2 | C9 | N4 | C8 | 13.1° | 39.2° |
| C2 | C9 | N4 | H91C | 120.0° | 118.4° |
| C2 | C9 | N4 | H92C | 122.3° | 118.4° |
| C2 | C9 | N4 | C1 | 173.9° | 159.7° |
| C9 | C2 | C5 | N12 | 166.7° | 66.5° |
| C9 | C2 | C5 | O20 | 33.8° | 113.5° |
| C9 | C2 | C3 | H3 | 91.3° | 97.1° |
| C2 | C9 | H91C | H92C | 122.5° | 123.1° |
| C7 | C3 | C8 | H3 | 119.7° | 122.1° |
| C7 | C3 | C8 | N4 | 139.1° | 117.7° |
| C3 | C7 | N14 | O21 | 174.1° | 180.0° |
| C3 | C7 | N14 | C28 | 178.6° | 175.0° |
| C7 | C3 | C2 | H2 | 27.1° | 22.4° |
| C7 | C3 | C8 | H81C | 100.9° | 123.0° |
| C7 | C3 | C8 | H82C | 17.0° | 1.6° |
| C3 | C7 | N14 | H14 | 1.3° | 5.0° |
| C3 | C8 | N4 | H81C | 120.0° | 119.3° |
| C3 | C8 | N4 | H82C | 122.0° | 119.3° |
| C3 | C8 | N4 | C9 | 4.7° | 25.4° |
| C3 | C8 | N4 | C1 | 168.4° | 145.9° |
| C8 | C3 | C7 | N14 | 79.0° | 64.3° |
| C8 | C3 | C7 | O21 | 95.1° | 115.7° |
| C8 | C3 | C2 | H2 | 93.0° | 96.6° |
| C3 | C8 | H81C | H82C | 122.3° | 121.2° |
| C8 | N4 | C9 | C1 | 172.9° | 120.5° |
| C8 | N4 | C1 | C40 | 150.5° | 69.9° |
| N4 | C8 | C3 | H3 | 101.2° | 120.2° |
| C8 | N4 | C9 | H91C | 133.1° | 157.7° |
| C8 | N4 | C9 | H92C | 109.1° | 79.2° |
| N4 | C8 | H81C | H82C | 122.2° | 121.2° |
| C8 | N4 | C1 | H11C | 30.5° | 170.1° |
| C8 | N4 | C1 | H12C | 87.7° | 50.1° |
| C9 | N4 | C1 | C40 | 22.0° | 172.7° |
| N4 | C9 | C2 | H2 | 99.9° | 81.0° |
| N4 | C9 | H91C | H92C | 122.5° | 123.1° |
| C9 | N4 | C8 | H81C | 124.8° | 94.0° |
| C9 | N4 | C8 | H82C | 117.3° | 144.7° |
| C9 | N4 | C1 | H11C | 142.0° | 52.7° |
| C9 | N4 | C1 | H12C | 99.8° | 67.3° |
| N4 | C1 | C40 | H11C | 120.1° | 120.0° |
| N4 | C1 | C40 | H12C | 121.8° | 120.0° |
| N4 | C1 | C40 | O41 | 90.0° | 0.0° |
| N4 | C1 | C40 | N42 | 90.0° | 180.0° |
| C1 | N4 | C9 | H91C | 53.9° | 81.9° |
| C1 | N4 | C9 | H92C | 63.8° | 41.3° |
| C1 | N4 | C8 | H81C | 48.3° | 26.5° |
| C1 | N4 | C8 | H82C | 69.6° | 94.8° |
| N4 | C1 | H11C | H12C | 148.0° | 120.0° |
| C5 | N12 | C15 | H12 | 180.0° | 179.9° |
| C5 | N12 | C15 | C16 | 126.0° | 158.0° |
| C5 | N12 | C15 | C25 | 72.5° | 21.8° |
| N12 | C5 | C2 | H2 | 43.9° | 56.8° |
| O20 | C5 | N12 | C15 | 24.2° | 5.3° |
| O20 | C5 | C2 | H2 | 156.7° | 123.1° |
| O20 | C5 | N12 | H12 | 155.8° | 174.8° |
| C10 | N6 | C11 | C19 | 177.7° | 179.7° |
| N6 | C10 | C22 | O23 | 179.4° | 180.0° |
| C10 | N6 | C11 | C13 | 66.8° | 93.4° |
| C10 | N6 | C11 | C24 | 110.1° | 87.0° |
| C10 | N6 | C19 | C26 | 4.4° | 0.0° |
| N6 | C10 | C22 | C27 | 3.6° | 0.0° |
| C10 | N6 | C19 | H19 | 175.6° | 180.0° |
| N6 | C10 | C22 | H22 | 176.5° | 180.0° |
| C11 | N6 | C10 | C22 | 177.8° | 180.0° |
| C11 | N6 | C10 | O23 | 2.8° | 0.0° |
| N6 | C11 | C13 | C24 | 176.9° | 179.7° |
| N6 | C11 | C13 | C16 | 176.4° | 180.0° |
| C11 | N6 | C19 | C26 | 173.2° | 179.8° |
| N6 | C11 | C24 | C25 | 175.7° | 180.0° |
| C11 | N6 | C19 | H19 | 6.8° | 0.3° |
| N6 | C11 | C13 | H13 | 3.6° | 0.1° |
| N6 | C11 | C24 | H24 | 4.3° | 0.0° |
| C19 | N6 | C10 | C22 | 0.1° | 0.3° |
| C19 | N6 | C10 | O23 | 179.6° | 179.7° |
| C19 | N6 | C11 | C13 | 110.9° | 86.3° |
| C19 | N6 | C11 | C24 | 72.2° | 93.3° |
| N6 | C19 | C26 | H19 | 180.0° | 179.9° |
| N6 | C19 | C26 | C27 | 5.6° | 0.5° |
| N6 | C19 | C26 | H26 | 174.4° | 180.0° |
| C7 | N14 | C28 | H14 | 180.0° | 180.0° |
| C7 | N14 | C28 | C33 | 172.5° | 144.2° |
| C7 | N14 | C28 | C34 | 16.1° | 36.1° |
| N14 | C7 | C3 | H3 | 41.5° | 57.9° |
| O21 | C7 | N14 | C28 | 7.3° | 5.0° |
| O21 | C7 | C3 | H3 | 144.4° | 122.1° |
| O21 | C7 | N14 | H14 | 172.7° | 175.0° |
| C10 | C22 | C27 | H22 | 180.0° | 180.0° |
| C10 | C22 | C27 | C26 | 2.6° | 0.5° |
| C10 | C22 | C27 | H27 | 177.4° | 180.0° |
| O23 | C10 | C22 | C27 | 177.0° | 180.0° |
| O23 | C10 | C22 | H22 | 3.0° | 0.0° |
| C11 | C13 | C16 | H13 | 180.0° | 180.0° |
| C11 | C13 | C16 | C15 | 0.3° | 0.0° |
| C11 | C13 | C16 | F30 | 178.2° | 179.9° |
| C13 | C11 | C24 | C25 | 1.0° | 0.3° |
| C13 | C11 | C24 | H24 | 179.0° | 179.7° |
| C24 | C11 | C13 | C16 | 0.5° | 0.3° |
| C11 | C24 | C25 | C15 | 0.7° | 0.1° |
| C11 | C24 | C25 | H24 | 180.0° | 179.9° |
| C24 | C11 | C13 | H13 | 179.5° | 179.7° |
| C11 | C24 | C25 | H25 | 179.2° | 179.7° |
| N12 | C15 | C16 | C13 | 162.9° | 180.0° |
| N12 | C15 | C16 | C25 | 162.3° | 179.7° |
| N12 | C15 | C16 | F30 | 15.7° | 0.1° |
| N12 | C15 | C25 | C24 | 159.6° | 180.0° |
| N12 | C15 | C25 | H25 | 20.4° | 0.2° |
| C13 | C16 | C15 | F30 | 178.6° | 180.0° |
| C13 | C16 | C15 | C25 | 0.6° | 0.2° |
| N14 | C28 | C33 | C34 | 171.6° | 179.7° |
| N14 | C28 | C33 | C36 | 168.1° | 180.0° |
| N14 | C28 | C34 | C35 | 168.0° | 180.0° |
| N14 | C28 | C33 | H33 | 11.9° | 0.1° |
| N14 | C28 | C34 | H34 | 12.0° | 0.0° |
| C16 | C15 | C25 | C24 | 0.0° | 0.2° |
| C16 | C15 | N12 | H12 | 54.0° | 22.1° |
| C15 | C16 | C13 | H13 | 179.7° | 180.0° |
| C16 | C15 | C25 | H25 | 180.0° | 180.0° |
| C25 | C15 | C16 | F30 | 178.0° | 179.8° |
| C15 | C25 | C24 | H25 | 180.0° | 179.8° |
| C25 | C15 | N12 | H12 | 107.6° | 158.2° |
| C15 | C25 | C24 | H24 | 179.3° | 180.0° |
| F30 | C16 | C13 | H13 | 1.8° | 0.0° |
| C19 | C26 | C27 | C22 | 2.2° | 0.7° |
| C19 | C26 | C27 | H26 | 180.0° | 179.5° |
| C19 | C26 | C27 | H27 | 177.8° | 179.7° |
| C22 | C27 | C26 | H27 | 180.0° | 179.5° |
| C22 | C27 | C26 | H26 | 177.8° | 179.7° |
| C27 | C26 | C19 | H19 | 174.4° | 179.4° |
| C26 | C27 | C22 | H22 | 177.4° | 179.5° |
| C28 | C33 | C36 | C31 | 0.7° | 0.1° |
| C28 | C33 | C36 | H33 | 180.0° | 179.9° |
| C33 | C28 | C34 | C35 | 3.2° | 0.4° |
| C33 | C28 | N14 | H14 | 7.5° | 35.8° |
| C33 | C28 | C34 | H34 | 176.8° | 179.7° |
| C28 | C33 | C36 | H36 | 179.3° | 179.7° |
| C28 | C34 | C35 | C31 | 0.1° | 0.1° |
| C34 | C28 | C33 | C36 | 3.5° | 0.3° |
| C28 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C28 | N14 | H14 | 163.9° | 143.9° |
| C34 | C28 | C33 | H33 | 176.5° | 179.7° |
| C28 | C34 | C35 | H35 | 180.0° | 179.7° |
| C35 | C31 | C36 | CL | 174.8° | 179.7° |
| C35 | C31 | C36 | C33 | 2.6° | 0.2° |
| C31 | C35 | C34 | H35 | 180.0° | 179.8° |
| C31 | C35 | C34 | H34 | 180.0° | 180.0° |
| C35 | C31 | C36 | H36 | 177.5° | 180.0° |
| C31 | C36 | C33 | H36 | 180.0° | 179.8° |
| C36 | C31 | C35 | C34 | 2.9° | 0.2° |
| C31 | C36 | C33 | H33 | 179.3° | 180.0° |
| C36 | C31 | C35 | H35 | 177.1° | 180.0° |
| CL | C31 | C36 | C33 | 172.3° | 179.9° |
| CL | C31 | C35 | C34 | 171.9° | 179.9° |
| CL | C31 | C35 | H35 | 8.1° | 0.3° |
| CL | C31 | C36 | H36 | 7.7° | 0.3° |
| C1 | C40 | O41 | N42 | 90.0° | 179.9° |
| C1 | C40 | N42 | C43 | 90.0° | 180.0° |
| C40 | C1 | H11C | H12C | 148.0° | 120.0° |
| C1 | C40 | N42 | H42 | 90.0° | 0.1° |
| O41 | C40 | N42 | C43 | 90.0° | 0.1° |
| O41 | C40 | C1 | H11C | 90.0° | 120.0° |
| O41 | C40 | C1 | H12C | 90.0° | 120.0° |
| O41 | C40 | N42 | H42 | 90.0° | 179.9° |
| C40 | N42 | C43 | H42 | 90.0° | 179.9° |
| N42 | C40 | C1 | H11C | 90.0° | 60.1° |
| N42 | C40 | C1 | H12C | 90.0° | 60.0° |
| C40 | N42 | C43 | H50 | 90.0° | 180.0° |
| C40 | N42 | C43 | H51 | 90.0° | 60.1° |
| C40 | N42 | C43 | H52 | 90.0° | 59.9° |
| N42 | C43 | H50 | H51 | 90.0° | 119.9° |
| N42 | C43 | H50 | H52 | 90.0° | 120.1° |
| N42 | C43 | H51 | H52 | 90.0° | 120.1° |
| H2 | C2 | C3 | H3 | 146.6° | 144.4° |
| H2 | C2 | C9 | H91C | 20.1° | 37.4° |
| H2 | C2 | C9 | H92C | 137.9° | 160.6° |
| H3 | C3 | C8 | H81C | 18.8° | 0.8° |
| H3 | C3 | C8 | H82C | 136.7° | 120.5° |
| H19 | C19 | C26 | H26 | 5.6° | 0.1° |
| H22 | C22 | C27 | H27 | 2.6° | 0.1° |
| H24 | C24 | C25 | H25 | 0.7° | 0.2° |
| H26 | C26 | C27 | H27 | 2.2° | 0.2° |
| H33 | C33 | C36 | H36 | 0.7° | 0.2° |
| H34 | C34 | C35 | H35 | 0.0° | 0.3° |
| H42 | N42 | C43 | H50 | 90.0° | 0.1° |
| H42 | N42 | C43 | H51 | 90.0° | 120.0° |
| H42 | N42 | C43 | H52 | 90.0° | 119.9° |
| H50 | C43 | H51 | H52 | 90.0° | 120.0° |
