BKB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | S09 | doub | 1.42Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| C18 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| S09 | C12 | sing | 1.76Å | 1.79Å | |
| S09 | O11 | doub | 1.42Å | 1.47Å | |
| S09 | N06 | sing | 1.66Å | 1.69Å | |
| N30 | C28 | sing | 1.35Å | 1.46Å | |
| N30 | O31 | sing | 1.42Å | 1.41Å | |
| C28 | O29 | doub | 1.21Å | 1.20Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| N20 | C15 | sing | 1.40Å | 1.48Å | |
| N20 | C21 | sing | 1.35Å | 1.45Å | |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| N23 | C21 | sing | 1.35Å | 1.47Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| C21 | O22 | doub | 1.22Å | 1.18Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.47Å | 1.47Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.45Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| N03 | C08 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.40Å | 1.43Å | |
| C32 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.37Å | Aromatic |
| F40 | C37 | sing | 1.40Å | 1.35Å | |
| F38 | C37 | sing | 1.40Å | 1.36Å | |
| C37 | C33 | sing | 1.51Å | 1.53Å | |
| C37 | F39 | sing | 1.40Å | 1.36Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | CL36 | sing | 1.74Å | 1.76Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| N23 | H25 | sing | 0.97Å | 1.00Å | |
| N30 | H26 | sing | 0.97Å | 1.00Å | |
| O31 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | S09 | C12 | 108.9° | 106.5° |
| O10 | S09 | O11 | 111.1° | 123.2° |
| O10 | S09 | N06 | 112.0° | 106.4° |
| C19 | C18 | C16 | 105.0° | 104.5° |
| C18 | C19 | N20 | 106.0° | 105.2° |
| C19 | C18 | H17 | 110.6° | 110.4° |
| C18 | C19 | H18 | 110.3° | 110.3° |
| C19 | C18 | H28 | 110.6° | 110.4° |
| C18 | C19 | H29 | 110.3° | 110.3° |
| C18 | C16 | C17 | 130.8° | 130.9° |
| C18 | C16 | C15 | 110.4° | 108.6° |
| C16 | C18 | H17 | 110.6° | 109.4° |
| C16 | C18 | H28 | 110.6° | 111.3° |
| C16 | C17 | C12 | 117.4° | 120.1° |
| C17 | C16 | C15 | 118.8° | 120.5° |
| C16 | C17 | H2 | 121.3° | 120.0° |
| C17 | C12 | S09 | 116.3° | 120.1° |
| C17 | C12 | C13 | 124.7° | 119.8° |
| C12 | C17 | H2 | 121.3° | 119.9° |
| C19 | N20 | C15 | 110.4° | 110.0° |
| C19 | N20 | C21 | 125.6° | 125.0° |
| N20 | C19 | H18 | 110.3° | 111.2° |
| N20 | C19 | H29 | 110.3° | 109.4° |
| C16 | C15 | N20 | 107.5° | 111.6° |
| C16 | C15 | C14 | 122.9° | 119.1° |
| C28 | C27 | C26 | 109.7° | 109.5° |
| C27 | C28 | N30 | 121.0° | 120.0° |
| C27 | C28 | O29 | 121.5° | 120.0° |
| C28 | C27 | H21 | 109.4° | 109.5° |
| C28 | C27 | H22 | 109.4° | 109.4° |
| C27 | C26 | C25 | 111.0° | 109.5° |
| C27 | C26 | H5 | 109.1° | 109.5° |
| C27 | C26 | H6 | 109.1° | 109.5° |
| C26 | C27 | H21 | 109.4° | 109.5° |
| C26 | C27 | H22 | 109.4° | 109.5° |
| C12 | S09 | O11 | 109.5° | 106.4° |
| C12 | S09 | N06 | 107.9° | 107.2° |
| S09 | C12 | C13 | 118.9° | 120.1° |
| O11 | S09 | N06 | 107.3° | 106.4° |
| S09 | N06 | C05 | 114.5° | 120.9° |
| S09 | N06 | C07 | 113.7° | 120.9° |
| C28 | N30 | O31 | 115.1° | 120.0° |
| N30 | C28 | O29 | 117.5° | 120.0° |
| C28 | N30 | H26 | 122.4° | 120.0° |
| O31 | N30 | H26 | 122.5° | 120.0° |
| N30 | O31 | H27 | 109.5° | 114.0° |
| C12 | C13 | C14 | 117.9° | 120.2° |
| C12 | C13 | H1 | 121.0° | 119.9° |
| C26 | C25 | C24 | 110.6° | 109.4° |
| C25 | C26 | H5 | 109.1° | 109.4° |
| C25 | C26 | H6 | 109.1° | 109.4° |
| C26 | C25 | H19 | 109.2° | 109.4° |
| C26 | C25 | H20 | 109.2° | 109.4° |
| C25 | C24 | N23 | 105.2° | 109.5° |
| C25 | C24 | H3 | 110.5° | 109.5° |
| C25 | C24 | H4 | 110.6° | 109.5° |
| C24 | C25 | H19 | 109.2° | 109.5° |
| C24 | C25 | H20 | 109.2° | 109.5° |
| C15 | N20 | C21 | 124.0° | 124.9° |
| N20 | C15 | C14 | 129.6° | 129.3° |
| N20 | C21 | N23 | 118.1° | 120.0° |
| N20 | C21 | O22 | 119.7° | 120.0° |
| C15 | C14 | C13 | 118.3° | 120.3° |
| C15 | C14 | H16 | 120.9° | 119.9° |
| C21 | N23 | C24 | 118.5° | 120.0° |
| N23 | C21 | O22 | 122.1° | 120.0° |
| C21 | N23 | H25 | 120.8° | 120.0° |
| N23 | C24 | H3 | 110.5° | 109.4° |
| N23 | C24 | H4 | 110.5° | 109.4° |
| C24 | N23 | H25 | 120.7° | 120.0° |
| C14 | C13 | H1 | 121.1° | 119.9° |
| C13 | C14 | H16 | 120.9° | 119.9° |
| N06 | C05 | C04 | 107.1° | 108.5° |
| C05 | N06 | C07 | 110.7° | 118.2° |
| N06 | C05 | H10 | 110.1° | 109.6° |
| N06 | C05 | H11 | 110.1° | 109.6° |
| C05 | C04 | N03 | 107.8° | 109.4° |
| C05 | C04 | H8 | 109.9° | 109.5° |
| C05 | C04 | H9 | 109.9° | 109.5° |
| C04 | C05 | H10 | 110.0° | 109.7° |
| C04 | C05 | H11 | 110.1° | 109.6° |
| N06 | C07 | C08 | 111.2° | 108.5° |
| N06 | C07 | H12 | 109.1° | 109.6° |
| N06 | C07 | H13 | 109.0° | 109.8° |
| C04 | N03 | C08 | 114.0° | 111.3° |
| C04 | N03 | C02 | 121.9° | 111.0° |
| N03 | C04 | H8 | 109.9° | 109.5° |
| N03 | C04 | H9 | 109.9° | 109.5° |
| C07 | C08 | N03 | 107.3° | 109.3° |
| C08 | C07 | H12 | 109.0° | 109.6° |
| C08 | C07 | H13 | 109.0° | 109.7° |
| C07 | C08 | H14 | 110.0° | 109.5° |
| C07 | C08 | H15 | 110.0° | 109.5° |
| C08 | N03 | C02 | 118.6° | 111.0° |
| N03 | C08 | H14 | 110.0° | 109.5° |
| N03 | C08 | H15 | 110.0° | 109.6° |
| N03 | C02 | C32 | 118.8° | 120.0° |
| N03 | C02 | C01 | 118.3° | 120.1° |
| C02 | C32 | C33 | 118.0° | 119.9° |
| C32 | C02 | C01 | 122.9° | 119.9° |
| C02 | C32 | H23 | 121.0° | 120.0° |
| C32 | C33 | C37 | 117.8° | 120.0° |
| C32 | C33 | C34 | 120.8° | 120.1° |
| C33 | C32 | H23 | 121.0° | 120.0° |
| C02 | C01 | C35 | 118.3° | 119.9° |
| C02 | C01 | H7 | 120.9° | 120.1° |
| F40 | C37 | F38 | 109.0° | 109.5° |
| F40 | C37 | C33 | 110.2° | 109.5° |
| F40 | C37 | F39 | 110.5° | 109.5° |
| F38 | C37 | C33 | 107.6° | 109.4° |
| F38 | C37 | F39 | 111.1° | 109.5° |
| C33 | C37 | F39 | 108.5° | 109.4° |
| C37 | C33 | C34 | 121.3° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.1° |
| C33 | C34 | H24 | 120.1° | 119.9° |
| C01 | C35 | C34 | 120.3° | 120.1° |
| C01 | C35 | CL36 | 118.8° | 119.9° |
| C35 | C01 | H7 | 120.9° | 120.0° |
| C34 | C35 | CL36 | 120.9° | 120.0° |
| C35 | C34 | H24 | 120.1° | 119.9° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.8° |
| H12 | C07 | H13 | 109.5° | 109.6° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H17 | C18 | H28 | 109.5° | 110.5° |
| H18 | C19 | H29 | 109.5° | 110.3° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | S09 | C12 | C17 | 30.5° | 156.5° |
| O10 | S09 | C12 | O11 | 121.7° | 133.0° |
| O10 | S09 | C12 | N06 | 121.8° | 113.5° |
| O10 | S09 | O11 | N06 | 122.8° | 122.9° |
| O10 | S09 | C12 | C13 | 150.3° | 23.5° |
| O10 | S09 | N06 | C05 | 60.1° | 23.6° |
| O10 | S09 | N06 | C07 | 171.2° | 156.4° |
| C19 | C18 | C16 | H17 | 119.3° | 118.3° |
| C19 | C18 | C16 | H28 | 119.3° | 119.2° |
| C19 | C18 | C16 | C17 | 175.3° | 180.0° |
| C18 | C19 | N20 | H18 | 119.5° | 119.4° |
| C18 | C19 | N20 | H29 | 119.5° | 118.5° |
| C19 | C18 | C16 | C15 | 4.0° | 0.8° |
| C18 | C19 | N20 | C15 | 9.2° | 1.1° |
| C18 | C19 | N20 | C21 | 168.5° | 180.0° |
| C19 | C18 | H17 | H28 | 122.1° | 122.5° |
| C18 | C19 | H18 | H29 | 121.6° | 122.1° |
| C18 | C16 | C17 | C15 | 179.2° | 179.1° |
| C18 | C16 | C17 | C12 | 179.8° | 180.0° |
| C16 | C18 | C19 | N20 | 7.9° | 1.1° |
| C18 | C16 | C15 | N20 | 1.5° | 0.2° |
| C18 | C16 | C15 | C14 | 179.1° | 179.9° |
| C18 | C16 | C17 | H2 | 0.3° | 0.8° |
| C16 | C18 | H17 | H28 | 122.1° | 123.0° |
| C16 | C18 | C19 | H18 | 127.3° | 118.9° |
| C16 | C18 | C19 | H29 | 111.6° | 119.0° |
| C16 | C17 | C12 | H2 | 180.0° | 179.2° |
| C16 | C17 | C12 | S09 | 179.9° | 179.5° |
| C16 | C17 | C12 | C13 | 0.9° | 0.5° |
| C17 | C16 | C15 | N20 | 179.1° | 179.5° |
| C17 | C16 | C15 | C14 | 1.5° | 0.6° |
| C17 | C16 | C18 | H17 | 56.0° | 61.7° |
| C17 | C16 | C18 | H28 | 65.4° | 60.8° |
| C12 | C17 | C16 | C15 | 1.0° | 0.9° |
| C17 | C12 | S09 | C13 | 179.2° | 180.0° |
| C17 | C12 | S09 | O11 | 152.2° | 23.5° |
| C17 | C12 | S09 | N06 | 91.3° | 90.0° |
| C17 | C12 | C13 | C14 | 1.2° | 0.0° |
| C17 | C12 | C13 | H1 | 178.8° | 179.7° |
| C19 | N20 | C15 | C16 | 6.8° | 0.6° |
| C19 | N20 | C15 | C21 | 177.7° | 179.0° |
| C19 | N20 | C15 | C14 | 175.8° | 179.3° |
| C19 | N20 | C21 | N23 | 1.8° | 0.1° |
| C19 | N20 | C21 | O22 | 180.0° | 180.0° |
| N20 | C19 | C18 | H17 | 127.1° | 118.7° |
| N20 | C19 | H18 | H29 | 121.6° | 121.6° |
| N20 | C19 | C18 | H28 | 111.4° | 118.8° |
| C16 | C15 | N20 | C14 | 177.4° | 179.9° |
| C16 | C15 | N20 | C21 | 170.9° | 179.6° |
| C16 | C15 | C14 | C13 | 1.8° | 0.1° |
| C15 | C16 | C17 | H2 | 179.0° | 179.9° |
| C16 | C15 | C14 | H16 | 178.3° | 179.9° |
| C15 | C16 | C18 | H17 | 123.3° | 119.1° |
| C15 | C16 | C18 | H28 | 115.3° | 118.4° |
| C28 | C27 | C26 | H21 | 120.0° | 120.0° |
| C28 | C27 | C26 | H22 | 120.0° | 119.9° |
| C27 | C28 | N30 | O29 | 179.7° | 179.9° |
| C27 | C28 | N30 | O31 | 179.5° | 180.0° |
| C28 | C27 | C26 | C25 | 90.9° | 180.0° |
| C28 | C27 | C26 | H5 | 29.3° | 60.0° |
| C28 | C27 | C26 | H6 | 148.9° | 60.1° |
| C28 | C27 | H21 | H22 | 119.9° | 119.9° |
| C27 | C28 | N30 | H26 | 0.4° | 0.1° |
| C26 | C27 | C28 | N30 | 139.0° | 180.0° |
| C26 | C27 | C28 | O29 | 41.3° | 0.1° |
| C27 | C26 | C25 | H5 | 120.2° | 120.0° |
| C27 | C26 | C25 | H6 | 120.2° | 120.0° |
| C27 | C26 | C25 | C24 | 177.5° | 180.0° |
| C27 | C26 | H5 | H6 | 119.3° | 120.0° |
| C27 | C26 | C25 | H19 | 62.3° | 60.0° |
| C27 | C26 | C25 | H20 | 57.4° | 60.0° |
| C26 | C27 | H21 | H22 | 119.9° | 120.0° |
| C12 | S09 | O11 | N06 | 116.9° | 114.1° |
| S09 | C12 | C13 | C14 | 179.7° | 180.0° |
| C12 | S09 | N06 | C05 | 59.7° | 90.0° |
| C12 | S09 | N06 | C07 | 68.9° | 90.0° |
| S09 | C12 | C13 | H1 | 0.4° | 0.3° |
| S09 | C12 | C17 | H2 | 0.1° | 0.2° |
| O11 | S09 | C12 | C13 | 28.6° | 156.5° |
| O11 | S09 | N06 | C05 | 177.7° | 156.5° |
| O11 | S09 | N06 | C07 | 49.0° | 23.5° |
| N06 | S09 | C12 | C13 | 87.9° | 90.0° |
| S09 | N06 | C05 | C07 | 130.1° | 180.0° |
| S09 | N06 | C05 | C04 | 167.4° | 128.8° |
| S09 | N06 | C07 | C08 | 169.0° | 128.8° |
| S09 | N06 | C05 | H10 | 73.0° | 9.1° |
| S09 | N06 | C05 | H11 | 47.7° | 111.5° |
| S09 | N06 | C07 | H12 | 48.7° | 111.5° |
| S09 | N06 | C07 | H13 | 70.8° | 9.0° |
| C28 | N30 | O31 | H26 | 180.0° | 179.9° |
| N30 | C28 | C27 | H21 | 18.9° | 59.9° |
| N30 | C28 | C27 | H22 | 101.0° | 60.1° |
| C28 | N30 | O31 | H27 | 0.1° | 180.0° |
| O31 | N30 | C28 | O29 | 0.2° | 0.1° |
| O29 | C28 | C27 | H21 | 161.4° | 120.0° |
| O29 | C28 | C27 | H22 | 78.7° | 120.0° |
| O29 | C28 | N30 | H26 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 1.5° | 0.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.6° |
| C13 | C12 | C17 | H2 | 179.1° | 179.8° |
| C12 | C13 | C14 | H16 | 178.5° | 179.7° |
| C26 | C25 | C24 | H19 | 120.2° | 120.0° |
| C26 | C25 | C24 | H20 | 120.2° | 120.0° |
| C26 | C25 | C24 | N23 | 175.5° | 180.0° |
| C26 | C25 | C24 | H3 | 65.2° | 60.0° |
| C26 | C25 | C24 | H4 | 56.1° | 60.0° |
| C25 | C26 | H5 | H6 | 119.3° | 120.0° |
| C26 | C25 | H19 | H20 | 119.5° | 120.0° |
| C25 | C26 | C27 | H21 | 149.1° | 60.0° |
| C25 | C26 | C27 | H22 | 29.1° | 60.0° |
| C25 | C24 | N23 | C21 | 80.5° | 180.0° |
| C25 | C24 | N23 | H3 | 119.3° | 120.0° |
| C25 | C24 | N23 | H4 | 119.3° | 120.0° |
| C25 | C24 | H3 | H4 | 122.0° | 120.1° |
| C24 | C25 | C26 | H5 | 57.3° | 60.0° |
| C24 | C25 | C26 | H6 | 62.2° | 60.0° |
| C24 | C25 | H19 | H20 | 119.5° | 120.1° |
| C25 | C24 | N23 | H25 | 99.5° | 0.0° |
| C15 | N20 | C21 | N23 | 179.2° | 178.8° |
| C15 | N20 | C21 | O22 | 2.6° | 1.2° |
| N20 | C15 | C14 | C13 | 178.8° | 179.9° |
| N20 | C15 | C14 | H16 | 1.2° | 0.1° |
| C15 | N20 | C19 | H18 | 128.7° | 118.3° |
| C15 | N20 | C19 | H29 | 110.3° | 119.6° |
| C21 | N20 | C15 | C14 | 6.5° | 0.3° |
| N20 | C21 | N23 | O22 | 178.1° | 179.9° |
| N20 | C21 | N23 | C24 | 179.4° | 180.0° |
| C21 | N20 | C19 | H18 | 49.0° | 60.7° |
| N20 | C21 | N23 | H25 | 0.6° | 0.1° |
| C21 | N20 | C19 | H29 | 72.0° | 61.5° |
| C15 | C14 | C13 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 178.5° | 179.9° |
| C21 | N23 | C24 | H25 | 180.0° | 179.9° |
| C21 | N23 | C24 | H3 | 38.8° | 60.0° |
| C21 | N23 | C24 | H4 | 160.1° | 59.9° |
| C24 | N23 | C21 | O22 | 2.4° | 0.1° |
| N23 | C24 | H3 | H4 | 122.0° | 119.9° |
| N23 | C24 | C25 | H19 | 55.3° | 60.0° |
| N23 | C24 | C25 | H20 | 64.4° | 60.1° |
| O22 | C21 | N23 | H25 | 177.6° | 180.0° |
| N06 | C05 | C04 | H10 | 119.6° | 119.7° |
| N06 | C05 | C04 | H11 | 119.7° | 119.7° |
| N06 | C05 | C04 | N03 | 61.1° | 53.8° |
| C05 | N06 | C07 | C08 | 60.4° | 51.1° |
| N06 | C05 | C04 | H8 | 179.2° | 173.8° |
| N06 | C05 | C04 | H9 | 58.6° | 66.1° |
| N06 | C05 | H10 | H11 | 121.1° | 120.4° |
| C05 | N06 | C07 | H12 | 179.3° | 68.5° |
| C05 | N06 | C07 | H13 | 59.8° | 171.0° |
| C04 | C05 | N06 | C07 | 62.5° | 51.2° |
| C05 | C04 | N03 | H8 | 119.7° | 120.0° |
| C05 | C04 | N03 | H9 | 119.8° | 120.0° |
| C05 | C04 | N03 | C08 | 61.3° | 63.1° |
| C05 | C04 | N03 | C02 | 145.2° | 172.7° |
| C05 | C04 | H8 | H9 | 120.8° | 120.1° |
| C04 | C05 | H10 | H11 | 121.1° | 120.5° |
| N06 | C07 | C08 | H12 | 120.3° | 119.7° |
| N06 | C07 | C08 | H13 | 120.2° | 119.9° |
| N06 | C07 | C08 | N03 | 54.5° | 53.8° |
| C07 | N06 | C05 | H10 | 57.1° | 170.9° |
| C07 | N06 | C05 | H11 | 177.9° | 68.5° |
| N06 | C07 | H12 | H13 | 119.2° | 120.5° |
| N06 | C07 | C08 | H14 | 65.2° | 66.2° |
| N06 | C07 | C08 | H15 | 174.1° | 173.8° |
| C04 | N03 | C08 | C07 | 56.7° | 63.1° |
| C04 | N03 | C08 | C02 | 154.4° | 124.1° |
| C04 | N03 | C02 | C32 | 22.2° | 180.0° |
| C04 | N03 | C02 | C01 | 156.8° | 0.0° |
| N03 | C04 | H8 | H9 | 120.8° | 120.0° |
| N03 | C04 | C05 | H10 | 58.5° | 173.5° |
| N03 | C04 | C05 | H11 | 179.2° | 65.8° |
| C04 | N03 | C08 | H14 | 62.9° | 56.9° |
| C04 | N03 | C08 | H15 | 176.4° | 176.9° |
| C07 | C08 | N03 | H14 | 119.7° | 119.9° |
| C07 | C08 | N03 | H15 | 119.6° | 120.0° |
| C07 | C08 | N03 | C02 | 148.9° | 172.8° |
| C08 | C07 | H12 | H13 | 119.2° | 120.4° |
| C07 | C08 | H14 | H15 | 121.0° | 120.0° |
| C08 | N03 | C02 | C32 | 174.5° | 55.7° |
| C08 | N03 | C02 | C01 | 4.5° | 124.3° |
| C08 | N03 | C04 | H8 | 179.0° | 176.9° |
| C08 | N03 | C04 | H9 | 58.4° | 56.9° |
| N03 | C08 | C07 | H12 | 174.8° | 65.9° |
| N03 | C08 | C07 | H13 | 65.7° | 173.7° |
| N03 | C08 | H14 | H15 | 121.0° | 120.1° |
| N03 | C02 | C32 | C01 | 178.9° | 179.9° |
| N03 | C02 | C32 | C33 | 179.7° | 180.0° |
| N03 | C02 | C01 | C35 | 179.3° | 180.0° |
| N03 | C02 | C01 | H7 | 0.8° | 0.4° |
| C02 | N03 | C04 | H8 | 25.5° | 52.8° |
| C02 | N03 | C04 | H9 | 95.0° | 67.3° |
| C02 | N03 | C08 | H14 | 91.5° | 67.3° |
| C02 | N03 | C08 | H15 | 29.2° | 52.8° |
| N03 | C02 | C32 | H23 | 0.2° | 0.0° |
| C02 | C32 | C33 | H23 | 180.0° | 180.0° |
| C02 | C32 | C33 | C37 | 179.4° | 180.0° |
| C02 | C32 | C33 | C34 | 0.2° | 0.0° |
| C32 | C02 | C01 | C35 | 1.8° | 0.0° |
| C32 | C02 | C01 | H7 | 178.2° | 179.7° |
| C33 | C32 | C02 | C01 | 0.8° | 0.1° |
| C32 | C33 | C37 | F40 | 62.6° | 150.0° |
| C32 | C33 | C37 | F38 | 56.0° | 30.0° |
| C32 | C33 | C37 | C34 | 179.2° | 180.0° |
| C32 | C33 | C37 | F39 | 176.3° | 90.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C32 | C33 | C34 | H24 | 179.8° | 180.0° |
| C02 | C01 | C35 | H7 | 180.0° | 179.7° |
| C02 | C01 | C35 | C34 | 1.8° | 0.0° |
| C02 | C01 | C35 | CL36 | 179.3° | 179.7° |
| C01 | C02 | C32 | H23 | 179.2° | 179.9° |
| F40 | C37 | F38 | C33 | 119.4° | 120.0° |
| F40 | C37 | F38 | F39 | 121.9° | 120.1° |
| F40 | C37 | C33 | F39 | 121.0° | 120.0° |
| F40 | C37 | C33 | C34 | 118.2° | 30.0° |
| F38 | C37 | C33 | F39 | 120.3° | 120.0° |
| F38 | C37 | C33 | C34 | 123.1° | 150.0° |
| C37 | C33 | C34 | C35 | 179.4° | 180.0° |
| C37 | C33 | C32 | H23 | 0.6° | 0.0° |
| C37 | C33 | C34 | H24 | 0.7° | 0.0° |
| F39 | C37 | C33 | C34 | 2.8° | 90.0° |
| C33 | C34 | C35 | C01 | 0.8° | 0.0° |
| C33 | C34 | C35 | H24 | 180.0° | 180.0° |
| C33 | C34 | C35 | CL36 | 179.7° | 179.7° |
| C34 | C33 | C32 | H23 | 179.8° | 180.0° |
| C01 | C35 | C34 | CL36 | 178.9° | 179.7° |
| C01 | C35 | C34 | H24 | 179.2° | 180.0° |
| C34 | C35 | C01 | H7 | 178.2° | 179.7° |
| CL36 | C35 | C01 | H7 | 0.8° | 0.0° |
| CL36 | C35 | C34 | H24 | 0.2° | 0.3° |
| H1 | C13 | C14 | H16 | 1.5° | 0.1° |
| H3 | C24 | C25 | H19 | 174.6° | 59.9° |
| H3 | C24 | C25 | H20 | 54.9° | 180.0° |
| H3 | C24 | N23 | H25 | 141.2° | 120.1° |
| H4 | C24 | C25 | H19 | 64.0° | 180.0° |
| H4 | C24 | C25 | H20 | 176.3° | 59.9° |
| H4 | C24 | N23 | H25 | 19.9° | 120.0° |
| H5 | C26 | C25 | H19 | 177.5° | 180.0° |
| H5 | C26 | C25 | H20 | 62.9° | 60.0° |
| H5 | C26 | C27 | H21 | 90.7° | 180.0° |
| H5 | C26 | C27 | H22 | 149.3° | 59.9° |
| H6 | C26 | C25 | H19 | 57.9° | 60.0° |
| H6 | C26 | C25 | H20 | 177.6° | 180.0° |
| H6 | C26 | C27 | H21 | 28.8° | 59.9° |
| H6 | C26 | C27 | H22 | 91.1° | 180.0° |
| H8 | C04 | C05 | H10 | 61.2° | 66.5° |
| H8 | C04 | C05 | H11 | 59.5° | 54.1° |
| H9 | C04 | C05 | H10 | 178.3° | 53.5° |
| H9 | C04 | C05 | H11 | 61.0° | 174.2° |
| H12 | C07 | C08 | H14 | 55.1° | 174.1° |
| H12 | C07 | C08 | H15 | 65.6° | 54.2° |
| H13 | C07 | C08 | H14 | 174.6° | 53.8° |
| H13 | C07 | C08 | H15 | 53.9° | 66.2° |
| H17 | C18 | C19 | H18 | 113.4° | 1.3° |
| H17 | C18 | C19 | H29 | 7.7° | 123.4° |
| H18 | C19 | C18 | H28 | 8.0° | 121.2° |
| H26 | N30 | O31 | H27 | 179.9° | 0.1° |
| H28 | C18 | C19 | H29 | 129.1° | 0.8° |
