66I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | sing | 1.36Å | 1.36Å | |
| C29 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| O19 | C18 | sing | 1.43Å | 1.28Å | |
| O19 | S20 | sing | 1.52Å | 1.73Å | |
| O21 | S20 | doub | 1.42Å | 1.39Å | |
| N22 | S20 | sing | 1.66Å | 1.65Å | |
| N22 | C23 | sing | 1.35Å | 1.34Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | N33 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O16 | sing | 1.44Å | 1.38Å | |
| C17 | C36 | sing | 1.54Å | 1.54Å | |
| O16 | C15 | sing | 1.44Å | 1.41Å | |
| S20 | O35 | doub | 1.42Å | 1.41Å | |
| C23 | O34 | doub | 1.21Å | 1.22Å | |
| O37 | C36 | sing | 1.43Å | 1.39Å | |
| C36 | C38 | sing | 1.55Å | 1.51Å | |
| C15 | C38 | sing | 1.55Å | 1.56Å | |
| C15 | N14 | sing | 1.46Å | 1.47Å | |
| F11 | C10 | sing | 1.40Å | 1.35Å | |
| C38 | O39 | sing | 1.43Å | 1.40Å | |
| N14 | N13 | sing | 1.40Å | 1.38Å | Aromatic |
| N14 | C06 | sing | 1.36Å | 1.40Å | Aromatic |
| N13 | C08 | doub | 1.31Å | 1.37Å | Aromatic |
| C06 | N05 | doub | 1.33Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| N05 | C04 | sing | 1.31Å | 1.36Å | Aromatic |
| C10 | F12 | sing | 1.40Å | 1.35Å | |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| C08 | C07 | sing | 1.46Å | 1.45Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.36Å | |
| C07 | C02 | doub | 1.41Å | 1.45Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.38Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.40Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N01 | H17 | sing | 0.97Å | 1.00Å | |
| N22 | H18 | sing | 0.97Å | 1.00Å | |
| N33 | H19 | sing | 1.01Å | 1.00Å | |
| N33 | H20 | sing | 1.01Å | 1.00Å | |
| O30 | H22 | sing | 0.97Å | 0.95Å | |
| O37 | H23 | sing | 0.97Å | 0.95Å | |
| O39 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | C31 | 120.7° | 120.1° |
| O30 | C29 | C28 | 119.7° | 120.1° |
| C29 | O30 | H22 | 109.5° | 114.0° |
| C31 | C29 | C28 | 119.6° | 119.8° |
| C29 | C31 | C32 | 120.0° | 120.0° |
| C29 | C31 | H6 | 120.0° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.0° |
| C29 | C28 | H3 | 120.1° | 120.0° |
| C31 | C32 | C26 | 120.1° | 120.0° |
| C32 | C31 | H6 | 120.0° | 120.1° |
| C31 | C32 | H7 | 119.9° | 120.0° |
| C28 | C27 | C26 | 122.1° | 120.0° |
| C28 | C27 | H2 | 119.0° | 119.9° |
| C27 | C28 | H3 | 120.0° | 120.0° |
| C32 | C26 | C27 | 118.2° | 120.1° |
| C32 | C26 | C25 | 123.2° | 120.0° |
| C26 | C32 | H7 | 119.9° | 120.0° |
| C27 | C26 | C25 | 118.6° | 119.9° |
| C26 | C27 | H2 | 118.9° | 120.0° |
| C26 | C25 | C24 | 111.8° | 109.5° |
| C26 | C25 | H4 | 108.9° | 109.5° |
| C26 | C25 | H5 | 108.9° | 109.4° |
| C25 | C24 | C23 | 107.0° | 109.4° |
| C25 | C24 | N33 | 111.9° | 109.5° |
| C25 | C24 | H1 | 109.3° | 109.5° |
| C24 | C25 | H4 | 108.9° | 109.5° |
| C24 | C25 | H5 | 108.9° | 109.5° |
| C18 | O19 | S20 | 121.2° | 114.0° |
| O19 | C18 | C17 | 112.5° | 109.5° |
| O19 | C18 | H11 | 108.7° | 109.5° |
| O19 | C18 | H12 | 108.7° | 109.5° |
| O19 | S20 | O21 | 103.9° | 106.4° |
| O19 | S20 | N22 | 97.9° | 107.2° |
| O19 | S20 | O35 | 109.3° | 106.4° |
| O21 | S20 | N22 | 112.1° | 106.4° |
| O21 | S20 | O35 | 116.7° | 123.2° |
| S20 | N22 | C23 | 123.4° | 120.0° |
| N22 | S20 | O35 | 114.6° | 106.4° |
| S20 | N22 | H18 | 118.3° | 120.0° |
| N22 | C23 | C24 | 112.9° | 120.0° |
| N22 | C23 | O34 | 123.6° | 120.0° |
| C23 | N22 | H18 | 118.3° | 120.0° |
| C23 | C24 | N33 | 108.6° | 109.5° |
| C24 | C23 | O34 | 123.4° | 120.0° |
| C23 | C24 | H1 | 109.8° | 109.5° |
| N33 | C24 | H1 | 110.2° | 109.5° |
| C24 | N33 | H19 | 109.5° | 111.0° |
| C24 | N33 | H20 | 109.5° | 111.0° |
| C18 | C17 | O16 | 102.5° | 109.9° |
| C18 | C17 | C36 | 107.7° | 109.9° |
| C18 | C17 | H10 | 111.4° | 109.8° |
| C17 | C18 | H11 | 108.7° | 109.4° |
| C17 | C18 | H12 | 108.7° | 109.4° |
| O16 | C17 | C36 | 109.7° | 107.3° |
| C17 | O16 | C15 | 110.2° | 107.0° |
| O16 | C17 | H10 | 113.8° | 109.9° |
| C17 | C36 | O37 | 110.8° | 110.5° |
| C17 | C36 | C38 | 96.9° | 104.2° |
| C36 | C17 | H10 | 111.3° | 110.0° |
| C17 | C36 | H14 | 111.6° | 110.5° |
| O16 | C15 | C38 | 103.8° | 103.5° |
| O16 | C15 | N14 | 114.1° | 110.7° |
| O16 | C15 | H9 | 112.0° | 110.7° |
| O37 | C36 | C38 | 110.1° | 110.5° |
| O37 | C36 | H14 | 114.1° | 110.6° |
| C36 | O37 | H23 | 109.5° | 114.0° |
| C36 | C38 | C15 | 103.9° | 102.1° |
| C36 | C38 | O39 | 107.3° | 110.9° |
| C38 | C36 | H14 | 112.1° | 110.5° |
| C36 | C38 | H15 | 111.7° | 110.9° |
| C38 | C15 | N14 | 105.4° | 110.6° |
| C15 | C38 | O39 | 108.8° | 110.9° |
| C38 | C15 | H9 | 109.9° | 110.6° |
| C15 | C38 | H15 | 111.0° | 110.9° |
| C15 | N14 | N13 | 123.1° | 125.3° |
| C15 | N14 | C06 | 125.2° | 125.3° |
| N14 | C15 | H9 | 111.1° | 110.6° |
| F11 | C10 | F12 | 105.3° | 109.5° |
| F11 | C10 | O09 | 108.0° | 109.5° |
| F11 | C10 | H8 | 112.7° | 109.5° |
| O39 | C38 | H15 | 113.6° | 110.9° |
| C38 | O39 | H24 | 109.5° | 114.0° |
| N13 | N14 | C06 | 110.8° | 109.3° |
| N14 | N13 | C08 | 106.9° | 110.0° |
| N14 | C06 | N05 | 127.7° | 134.6° |
| N14 | C06 | C07 | 107.2° | 106.8° |
| N13 | C08 | C07 | 110.1° | 107.5° |
| N13 | C08 | O09 | 123.3° | 126.3° |
| N05 | C06 | C07 | 125.1° | 118.6° |
| C06 | N05 | C04 | 113.8° | 120.7° |
| C06 | C07 | C08 | 104.9° | 106.5° |
| C06 | C07 | C02 | 116.9° | 118.5° |
| N05 | C04 | N03 | 125.7° | 122.7° |
| N05 | C04 | H13 | 117.1° | 118.6° |
| F12 | C10 | O09 | 105.9° | 109.5° |
| F12 | C10 | H8 | 112.7° | 109.5° |
| C10 | O09 | C08 | 120.1° | 117.0° |
| O09 | C10 | H8 | 111.8° | 109.5° |
| C07 | C08 | O09 | 126.6° | 126.3° |
| C08 | C07 | C02 | 138.2° | 135.0° |
| C07 | C02 | N03 | 118.0° | 118.3° |
| C07 | C02 | N01 | 121.3° | 120.9° |
| C04 | N03 | C02 | 120.6° | 121.2° |
| N03 | C04 | H13 | 117.1° | 118.6° |
| N03 | C02 | N01 | 120.7° | 120.8° |
| C02 | N01 | H16 | 109.5° | 120.1° |
| C02 | N01 | H17 | 109.5° | 120.0° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H16 | N01 | H17 | 109.5° | 120.0° |
| H19 | N33 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | C31 | C28 | 176.8° | 179.7° |
| O30 | C29 | C31 | C32 | 178.9° | 180.0° |
| O30 | C29 | C28 | C27 | 179.8° | 179.8° |
| O30 | C29 | C28 | H3 | 0.2° | 0.4° |
| O30 | C29 | C31 | H6 | 1.1° | 0.3° |
| C29 | C31 | C32 | H6 | 180.0° | 179.7° |
| C31 | C29 | C28 | C27 | 3.0° | 0.1° |
| C29 | C31 | C32 | C26 | 0.5° | 0.6° |
| C31 | C29 | C28 | H3 | 177.0° | 180.0° |
| C29 | C31 | C32 | H7 | 179.5° | 180.0° |
| C31 | C29 | O30 | H22 | 180.0° | 90.1° |
| C28 | C29 | C31 | C32 | 2.1° | 0.4° |
| C29 | C28 | C27 | H3 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 2.3° | 0.1° |
| C29 | C28 | C27 | H2 | 177.6° | 179.9° |
| C28 | C29 | C31 | H6 | 177.9° | 180.0° |
| C28 | C29 | O30 | H22 | 3.2° | 90.3° |
| C31 | C32 | C26 | H7 | 180.0° | 179.4° |
| C31 | C32 | C26 | C27 | 0.2° | 0.6° |
| C31 | C32 | C26 | C25 | 179.8° | 179.7° |
| C28 | C27 | C26 | C32 | 0.7° | 0.3° |
| C28 | C27 | C26 | H2 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 179.3° | 180.0° |
| C32 | C26 | C27 | C25 | 180.0° | 179.7° |
| C32 | C26 | C25 | C24 | 122.3° | 89.7° |
| C32 | C26 | C27 | H2 | 179.3° | 179.7° |
| C32 | C26 | C25 | H4 | 117.4° | 150.3° |
| C32 | C26 | C25 | H5 | 1.9° | 30.2° |
| C26 | C32 | C31 | H6 | 179.5° | 179.7° |
| C27 | C26 | C25 | C24 | 57.7° | 90.0° |
| C26 | C27 | C28 | H3 | 177.7° | 179.9° |
| C27 | C26 | C25 | H4 | 62.6° | 30.0° |
| C27 | C26 | C25 | H5 | 178.1° | 150.0° |
| C27 | C26 | C32 | H7 | 179.8° | 180.0° |
| C26 | C25 | C24 | H4 | 120.3° | 120.0° |
| C26 | C25 | C24 | H5 | 120.3° | 120.0° |
| C26 | C25 | C24 | C23 | 175.9° | 175.0° |
| C26 | C25 | C24 | N33 | 65.3° | 65.0° |
| C26 | C25 | C24 | H1 | 57.1° | 55.0° |
| C25 | C26 | C27 | H2 | 0.7° | 0.0° |
| C26 | C25 | H4 | H5 | 118.9° | 120.0° |
| C25 | C26 | C32 | H7 | 0.2° | 0.3° |
| C25 | C24 | C23 | N22 | 48.5° | 80.0° |
| C25 | C24 | C23 | N33 | 120.9° | 120.0° |
| C25 | C24 | C23 | H1 | 118.5° | 120.0° |
| C25 | C24 | N33 | H1 | 121.8° | 120.0° |
| C25 | C24 | C23 | O34 | 130.4° | 100.1° |
| C24 | C25 | H4 | H5 | 118.9° | 120.0° |
| C25 | C24 | N33 | H19 | 180.0° | 60.0° |
| C25 | C24 | N33 | H20 | 60.0° | 63.9° |
| C18 | O19 | S20 | O21 | 130.4° | 38.5° |
| C18 | O19 | S20 | N22 | 114.4° | 75.0° |
| O19 | C18 | C17 | H11 | 120.4° | 120.0° |
| O19 | C18 | C17 | H12 | 120.5° | 120.0° |
| O19 | C18 | C17 | O16 | 151.1° | 66.4° |
| O19 | C18 | C17 | C36 | 93.2° | 175.7° |
| C18 | O19 | S20 | O35 | 5.2° | 171.5° |
| O19 | C18 | C17 | H10 | 29.1° | 54.6° |
| O19 | C18 | H11 | H12 | 118.6° | 120.1° |
| O19 | S20 | O21 | N22 | 104.7° | 114.1° |
| O19 | S20 | O21 | O35 | 120.3° | 122.9° |
| O19 | S20 | N22 | O35 | 115.5° | 113.5° |
| O19 | S20 | N22 | C23 | 141.4° | 65.0° |
| S20 | O19 | C18 | C17 | 118.5° | 180.0° |
| S20 | O19 | C18 | H11 | 121.1° | 60.0° |
| S20 | O19 | C18 | H12 | 2.0° | 60.0° |
| O19 | S20 | N22 | H18 | 38.6° | 115.0° |
| O21 | S20 | N22 | O35 | 136.0° | 132.9° |
| O21 | S20 | N22 | C23 | 110.1° | 178.6° |
| O21 | S20 | N22 | H18 | 69.9° | 1.4° |
| S20 | N22 | C23 | H18 | 180.0° | 180.0° |
| S20 | N22 | C23 | C24 | 178.9° | 180.0° |
| S20 | N22 | C23 | O34 | 0.0° | 0.1° |
| N22 | C23 | C24 | O34 | 178.9° | 179.9° |
| N22 | C23 | C24 | N33 | 169.4° | 160.0° |
| C23 | N22 | S20 | O35 | 25.9° | 48.5° |
| N22 | C23 | C24 | H1 | 70.0° | 39.9° |
| C23 | C24 | N33 | H1 | 120.3° | 120.0° |
| C23 | C24 | C25 | H4 | 55.6° | 65.0° |
| C23 | C24 | C25 | H5 | 63.8° | 55.0° |
| C24 | C23 | N22 | H18 | 1.1° | 0.0° |
| C23 | C24 | N33 | H19 | 62.1° | 60.0° |
| C23 | C24 | N33 | H20 | 57.9° | 176.1° |
| N33 | C24 | C23 | O34 | 9.5° | 20.0° |
| N33 | C24 | C25 | H4 | 174.4° | 55.0° |
| N33 | C24 | C25 | H5 | 55.1° | 175.0° |
| C24 | N33 | H19 | H20 | 120.0° | 123.9° |
| C18 | C17 | O16 | C36 | 114.2° | 119.5° |
| C18 | C17 | O16 | H10 | 120.4° | 120.9° |
| C18 | C17 | C36 | H10 | 122.4° | 121.0° |
| C18 | C17 | O16 | C15 | 99.1° | 146.0° |
| C18 | C17 | C36 | O37 | 168.1° | 119.8° |
| C18 | C17 | C36 | C38 | 77.3° | 121.5° |
| C17 | C18 | H11 | H12 | 118.6° | 119.9° |
| C18 | C17 | C36 | H14 | 39.8° | 2.8° |
| O16 | C17 | C36 | H10 | 126.8° | 119.5° |
| O16 | C17 | C36 | O37 | 81.1° | 120.7° |
| O16 | C17 | C36 | C38 | 33.5° | 2.0° |
| C17 | O16 | C15 | C38 | 10.2° | 40.0° |
| C17 | O16 | C15 | N14 | 124.3° | 158.5° |
| C17 | O16 | C15 | H9 | 108.3° | 78.5° |
| O16 | C17 | C18 | H11 | 30.7° | 173.5° |
| O16 | C17 | C18 | H12 | 88.4° | 53.6° |
| O16 | C17 | C36 | H14 | 150.6° | 116.6° |
| C36 | C17 | O16 | C15 | 15.1° | 26.5° |
| C17 | C36 | O37 | C38 | 106.0° | 114.8° |
| C17 | C36 | O37 | H14 | 127.0° | 122.6° |
| C17 | C36 | C38 | H14 | 116.7° | 118.7° |
| C17 | C36 | C38 | C15 | 37.5° | 20.9° |
| C17 | C36 | C38 | O39 | 152.7° | 139.1° |
| C36 | C17 | C18 | H11 | 146.3° | 55.7° |
| C36 | C17 | C18 | H12 | 27.2° | 64.3° |
| C17 | C36 | C38 | H15 | 82.2° | 97.3° |
| C17 | C36 | O37 | H23 | 180.0° | 180.0° |
| O16 | C15 | C38 | C36 | 31.7° | 37.0° |
| O16 | C15 | C38 | N14 | 120.3° | 118.5° |
| O16 | C15 | C38 | H9 | 119.9° | 118.6° |
| O16 | C15 | N14 | H9 | 127.8° | 123.1° |
| O16 | C15 | C38 | O39 | 145.8° | 155.2° |
| O16 | C15 | N14 | N13 | 59.0° | 39.0° |
| O16 | C15 | N14 | C06 | 132.5° | 141.0° |
| C15 | O16 | C17 | H10 | 140.5° | 93.1° |
| O16 | C15 | C38 | H15 | 88.4° | 81.2° |
| O35 | S20 | N22 | H18 | 154.1° | 131.5° |
| O34 | C23 | C24 | H1 | 111.1° | 140.0° |
| O34 | C23 | N22 | H18 | 180.0° | 180.0° |
| O37 | C36 | C38 | H14 | 128.1° | 122.7° |
| O37 | C36 | C38 | C15 | 77.6° | 97.8° |
| O37 | C36 | C38 | O39 | 37.5° | 20.4° |
| O37 | C36 | C17 | H10 | 45.7° | 1.2° |
| O37 | C36 | C38 | H15 | 162.7° | 144.0° |
| C36 | C38 | C15 | O39 | 114.1° | 118.2° |
| C36 | C38 | C15 | H15 | 120.2° | 118.2° |
| C36 | C38 | C15 | N14 | 152.0° | 155.5° |
| C36 | C38 | O39 | H15 | 124.0° | 123.7° |
| C36 | C38 | C15 | H9 | 88.2° | 81.6° |
| C38 | C36 | C17 | H10 | 160.3° | 117.5° |
| C38 | C36 | O37 | H23 | 74.0° | 65.2° |
| C36 | C38 | O39 | H24 | 180.0° | 67.3° |
| C38 | C15 | N14 | H9 | 119.0° | 122.9° |
| C15 | C38 | O39 | H15 | 124.2° | 123.6° |
| C38 | C15 | N14 | N13 | 54.2° | 75.1° |
| C38 | C15 | N14 | C06 | 114.4° | 105.0° |
| C15 | C38 | C36 | H14 | 154.2° | 139.5° |
| C15 | C38 | O39 | H24 | 68.2° | 180.0° |
| N14 | C15 | C38 | O39 | 93.9° | 86.3° |
| C15 | N14 | N13 | C06 | 170.0° | 180.0° |
| C15 | N14 | N13 | C08 | 174.1° | 180.0° |
| C15 | N14 | C06 | N05 | 7.6° | 0.7° |
| C15 | N14 | C06 | C07 | 173.3° | 180.0° |
| N14 | C15 | C38 | H15 | 31.8° | 37.3° |
| F11 | C10 | F12 | O09 | 114.2° | 120.0° |
| F11 | C10 | F12 | H8 | 123.2° | 120.0° |
| F11 | C10 | O09 | H8 | 124.5° | 120.0° |
| F11 | C10 | O09 | C08 | 65.5° | 60.0° |
| O39 | C38 | C15 | H9 | 25.9° | 36.6° |
| O39 | C38 | C36 | H14 | 90.6° | 102.3° |
| N13 | N14 | C06 | N05 | 177.3° | 179.2° |
| N13 | N14 | C06 | C07 | 3.6° | 0.0° |
| N14 | N13 | C08 | C07 | 3.1° | 0.1° |
| N14 | N13 | C08 | O09 | 178.0° | 180.0° |
| N13 | N14 | C15 | H9 | 173.1° | 162.1° |
| C06 | N14 | N13 | C08 | 4.1° | 0.0° |
| N14 | C06 | N05 | C07 | 179.0° | 179.2° |
| N14 | C06 | N05 | C04 | 178.4° | 179.9° |
| N14 | C06 | C07 | C08 | 1.5° | 0.0° |
| N14 | C06 | C07 | C02 | 177.8° | 180.0° |
| C06 | N14 | C15 | H9 | 4.6° | 17.9° |
| N13 | C08 | C07 | C06 | 1.0° | 0.0° |
| N13 | C08 | O09 | C10 | 24.5° | 0.0° |
| N13 | C08 | C07 | O09 | 178.9° | 180.0° |
| N13 | C08 | C07 | C02 | 180.0° | 180.0° |
| N05 | C06 | C07 | C08 | 179.3° | 179.4° |
| N05 | C06 | C07 | C02 | 1.4° | 0.6° |
| C06 | N05 | C04 | N03 | 0.1° | 0.7° |
| C06 | N05 | C04 | H13 | 179.9° | 179.4° |
| C07 | C06 | N05 | C04 | 0.5° | 0.9° |
| C06 | C07 | C08 | C02 | 179.0° | 180.0° |
| C06 | C07 | C08 | O09 | 179.9° | 180.0° |
| C06 | C07 | C02 | N03 | 1.8° | 0.1° |
| C06 | C07 | C02 | N01 | 179.8° | 179.7° |
| N05 | C04 | N03 | H13 | 180.0° | 179.9° |
| N05 | C04 | N03 | C02 | 0.6° | 0.1° |
| F12 | C10 | O09 | H8 | 123.1° | 120.0° |
| F12 | C10 | O09 | C08 | 177.9° | 60.0° |
| C10 | O09 | C08 | C07 | 156.8° | 180.0° |
| C08 | C07 | C02 | N03 | 179.3° | 180.0° |
| C08 | C07 | C02 | N01 | 1.2° | 0.2° |
| O09 | C08 | C07 | C02 | 1.1° | 0.0° |
| C08 | O09 | C10 | H8 | 59.1° | 180.0° |
| C07 | C02 | N03 | C04 | 1.5° | 0.2° |
| C07 | C02 | N03 | N01 | 178.1° | 179.8° |
| C07 | C02 | N01 | H16 | 178.0° | 179.8° |
| C07 | C02 | N01 | H17 | 62.0° | 0.3° |
| C04 | N03 | C02 | N01 | 179.5° | 180.0° |
| C02 | N03 | C04 | H13 | 179.4° | 180.0° |
| N03 | C02 | N01 | H16 | 0.0° | 0.0° |
| N03 | C02 | N01 | H17 | 120.0° | 179.9° |
| C02 | N01 | H16 | H17 | 120.0° | 180.0° |
| H1 | C24 | C25 | H4 | 63.3° | 175.0° |
| H1 | C24 | C25 | H5 | 177.4° | 65.0° |
| H1 | C24 | N33 | H19 | 58.2° | 180.0° |
| H1 | C24 | N33 | H20 | 178.2° | 56.1° |
| H2 | C27 | C28 | H3 | 2.4° | 0.1° |
| H6 | C31 | C32 | H7 | 0.5° | 0.3° |
| H9 | C15 | C38 | H15 | 151.6° | 160.2° |
| H10 | C17 | C18 | H11 | 91.4° | 65.5° |
| H10 | C17 | C18 | H12 | 149.5° | 174.6° |
| H10 | C17 | C36 | H14 | 82.6° | 123.8° |
| H14 | C36 | C38 | H15 | 34.5° | 21.4° |
| H14 | C36 | O37 | H23 | 53.0° | 57.5° |
| H15 | C38 | O39 | H24 | 56.0° | 56.4° |
