BVR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| O09 | B01 | doub | 1.27Å | 1.32Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| B01 | C22 | sing | 1.57Å | 1.52Å | |
| B01 | O08 | sing | 1.42Å | 1.36Å | |
| C18 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.47Å | |
| C24 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| O06 | S01 | doub | 1.42Å | 1.42Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | S01 | sing | 1.76Å | 1.75Å | |
| C21 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C04 | sing | 1.53Å | 1.55Å | |
| S01 | O07 | doub | 1.42Å | 1.41Å | |
| S01 | N01 | sing | 1.66Å | 1.66Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | C09 | sing | 1.54Å | 1.52Å | |
| C04 | N02 | sing | 1.47Å | 1.40Å | |
| C04 | C03 | sing | 1.53Å | 1.58Å | |
| C11 | O04 | sing | 1.44Å | 1.44Å | |
| N01 | C02 | sing | 1.46Å | 1.42Å | |
| N01 | C01 | sing | 1.46Å | 1.43Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| N02 | C05 | sing | 1.35Å | 1.34Å | |
| C03 | O05 | sing | 1.43Å | 1.41Å | |
| O01 | C05 | doub | 1.22Å | 1.23Å | |
| C05 | O02 | sing | 1.35Å | 1.39Å | |
| C09 | C08 | sing | 1.56Å | 1.55Å | |
| C09 | C06 | sing | 1.54Å | 1.55Å | |
| O04 | C08 | sing | 1.44Å | 1.42Å | |
| C01 | C25 | sing | 1.53Å | 1.52Å | |
| O02 | C06 | sing | 1.45Å | 1.41Å | |
| C08 | O03 | sing | 1.44Å | 1.43Å | |
| C06 | C07 | sing | 1.54Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| O03 | C07 | sing | 1.44Å | 1.44Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| N02 | H34 | sing | 0.97Å | 1.00Å | |
| O05 | H35 | sing | 0.97Å | 0.95Å | |
| O08 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 119.0° | 120.0° |
| C16 | C15 | C14 | 121.1° | 120.0° |
| C16 | C15 | H19 | 119.5° | 120.0° |
| C15 | C16 | H20 | 120.5° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C17 | C16 | H20 | 120.5° | 120.0° |
| C16 | C17 | H21 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C15 | C14 | H18 | 119.6° | 120.0° |
| C14 | C15 | H19 | 119.5° | 120.0° |
| C17 | C18 | C13 | 121.5° | 120.0° |
| C18 | C17 | H21 | 120.1° | 120.0° |
| C17 | C18 | H22 | 119.3° | 120.0° |
| O09 | B01 | C22 | 116.2° | 120.0° |
| O09 | B01 | O08 | 119.7° | 120.1° |
| C14 | C13 | C18 | 117.8° | 120.0° |
| C14 | C13 | C12 | 119.3° | 120.0° |
| C13 | C14 | H18 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.9° | 119.9° |
| C23 | C24 | C19 | 122.9° | 120.1° |
| C24 | C23 | H25 | 120.1° | 120.1° |
| C23 | C24 | H26 | 118.5° | 119.9° |
| C23 | C22 | B01 | 123.9° | 120.2° |
| C23 | C22 | C21 | 116.6° | 119.7° |
| C22 | C23 | H25 | 120.0° | 120.1° |
| C22 | B01 | O08 | 124.1° | 120.0° |
| B01 | C22 | C21 | 119.5° | 120.1° |
| B01 | O08 | H36 | 109.5° | 117.0° |
| C18 | C13 | C12 | 122.8° | 120.0° |
| C13 | C18 | H22 | 119.2° | 120.0° |
| C13 | C12 | C04 | 111.5° | 109.5° |
| C13 | C12 | H16 | 109.0° | 109.5° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C24 | C19 | C20 | 114.7° | 120.3° |
| C24 | C19 | S01 | 125.1° | 119.8° |
| C19 | C24 | H26 | 118.5° | 119.9° |
| C22 | C21 | C20 | 122.2° | 119.8° |
| C22 | C21 | H24 | 118.9° | 120.1° |
| O06 | S01 | C19 | 107.3° | 106.4° |
| O06 | S01 | O07 | 118.9° | 123.2° |
| O06 | S01 | N01 | 108.3° | 106.4° |
| C20 | C19 | S01 | 120.2° | 119.9° |
| C19 | C20 | C21 | 123.7° | 120.2° |
| C19 | C20 | H23 | 118.2° | 119.9° |
| C19 | S01 | O07 | 107.4° | 106.4° |
| C19 | S01 | N01 | 106.4° | 107.2° |
| C21 | C20 | H23 | 118.2° | 119.9° |
| C20 | C21 | H24 | 118.9° | 120.1° |
| C12 | C04 | N02 | 110.8° | 109.5° |
| C12 | C04 | C03 | 113.3° | 109.5° |
| C12 | C04 | H6 | 108.0° | 109.5° |
| C04 | C12 | H16 | 109.0° | 109.5° |
| C04 | C12 | H17 | 109.0° | 109.5° |
| O07 | S01 | N01 | 108.0° | 106.4° |
| S01 | N01 | C02 | 120.9° | 120.0° |
| S01 | N01 | C01 | 117.5° | 120.0° |
| C11 | C10 | C09 | 104.9° | 104.6° |
| C10 | C11 | O04 | 106.5° | 107.4° |
| C11 | C10 | H12 | 110.6° | 110.4° |
| C11 | C10 | H13 | 110.6° | 110.4° |
| C10 | C11 | H14 | 110.2° | 109.9° |
| C10 | C11 | H15 | 110.2° | 109.9° |
| C10 | C09 | C08 | 102.7° | 102.3° |
| C10 | C09 | C06 | 116.4° | 108.8° |
| C10 | C09 | H11 | 111.0° | 114.3° |
| C09 | C10 | H12 | 110.6° | 110.4° |
| C09 | C10 | H13 | 110.6° | 110.4° |
| N02 | C04 | C03 | 107.0° | 109.5° |
| C04 | N02 | C05 | 125.9° | 120.0° |
| N02 | C04 | H6 | 110.0° | 109.5° |
| C04 | N02 | H34 | 117.1° | 120.0° |
| C04 | C03 | C02 | 112.4° | 109.5° |
| C04 | C03 | O05 | 109.9° | 109.5° |
| C04 | C03 | H5 | 107.6° | 109.5° |
| C03 | C04 | H6 | 107.7° | 109.5° |
| C11 | O04 | C08 | 110.3° | 107.5° |
| O04 | C11 | H14 | 110.2° | 109.8° |
| O04 | C11 | H15 | 110.2° | 109.8° |
| C02 | N01 | C01 | 115.5° | 120.0° |
| N01 | C02 | C03 | 116.1° | 109.5° |
| N01 | C02 | H3 | 107.8° | 109.5° |
| N01 | C02 | H4 | 107.8° | 109.5° |
| N01 | C01 | C25 | 119.2° | 109.5° |
| N01 | C01 | H1 | 107.0° | 109.5° |
| N01 | C01 | H2 | 107.0° | 109.5° |
| C02 | C03 | O05 | 108.8° | 109.5° |
| C03 | C02 | H3 | 107.8° | 109.4° |
| C03 | C02 | H4 | 107.8° | 109.4° |
| C02 | C03 | H5 | 108.3° | 109.4° |
| N02 | C05 | O01 | 126.9° | 120.0° |
| N02 | C05 | O02 | 113.9° | 120.0° |
| C05 | N02 | H34 | 117.1° | 120.0° |
| O05 | C03 | H5 | 109.8° | 109.4° |
| C03 | O05 | H35 | 109.5° | 114.0° |
| O01 | C05 | O02 | 119.2° | 120.0° |
| C05 | O02 | C06 | 121.5° | 117.0° |
| C08 | C09 | C06 | 104.8° | 102.5° |
| C09 | C08 | O04 | 108.7° | 103.7° |
| C09 | C08 | O03 | 106.3° | 104.0° |
| C09 | C08 | H10 | 110.0° | 113.1° |
| C08 | C09 | H11 | 110.7° | 114.0° |
| C09 | C06 | O02 | 108.5° | 110.5° |
| C09 | C06 | C07 | 99.7° | 104.7° |
| C09 | C06 | H7 | 111.2° | 110.4° |
| C06 | C09 | H11 | 110.7° | 113.7° |
| O04 | C08 | O03 | 108.0° | 108.7° |
| O04 | C08 | H10 | 111.9° | 113.5° |
| C01 | C25 | C26 | 110.9° | 109.5° |
| C01 | C25 | C27 | 109.8° | 109.5° |
| C25 | C01 | H1 | 107.0° | 109.5° |
| C25 | C01 | H2 | 107.0° | 109.5° |
| C01 | C25 | H27 | 109.0° | 109.4° |
| O02 | C06 | C07 | 111.5° | 110.4° |
| O02 | C06 | H7 | 113.4° | 110.4° |
| C08 | O03 | C07 | 107.9° | 107.7° |
| O03 | C08 | H10 | 111.7° | 113.0° |
| C06 | C07 | O03 | 105.5° | 107.4° |
| C07 | C06 | H7 | 111.6° | 110.4° |
| C06 | C07 | H8 | 110.4° | 109.9° |
| C06 | C07 | H9 | 110.5° | 109.9° |
| C26 | C25 | C27 | 109.1° | 109.5° |
| C26 | C25 | H27 | 109.0° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.4° | 109.4° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C27 | C25 | H27 | 109.1° | 109.5° |
| C25 | C27 | H31 | 109.5° | 109.6° |
| C25 | C27 | H32 | 109.5° | 109.4° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| O03 | C07 | H8 | 110.5° | 109.9° |
| O03 | C07 | H9 | 110.5° | 109.9° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H3 | C02 | H4 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.9° |
| H12 | C10 | H13 | 109.5° | 110.5° |
| H14 | C11 | H15 | 109.5° | 110.0° |
| H16 | C12 | H17 | 109.4° | 109.4° |
| H28 | C26 | H29 | 109.4° | 109.5° |
| H28 | C26 | H30 | 109.4° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H31 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C16 | C15 | C14 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.3° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | H21 | 179.6° | 179.9° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C16 | C17 | C18 | H21 | 180.0° | 179.8° |
| C16 | C17 | C18 | C13 | 0.1° | 0.6° |
| C17 | C16 | C15 | H19 | 179.5° | 180.0° |
| C16 | C17 | C18 | H22 | 180.0° | 180.0° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 0.4° | 0.3° |
| C15 | C14 | C13 | C12 | 177.7° | 180.0° |
| C14 | C15 | C16 | H20 | 179.4° | 179.9° |
| C17 | C18 | C13 | C14 | 0.5° | 0.6° |
| C17 | C18 | C13 | H22 | 180.0° | 179.4° |
| C17 | C18 | C13 | C12 | 177.7° | 179.7° |
| C18 | C17 | C16 | H20 | 179.5° | 179.8° |
| O09 | B01 | C22 | C23 | 1.2° | 179.7° |
| O09 | B01 | C22 | O08 | 176.9° | 179.7° |
| O09 | B01 | C22 | C21 | 177.3° | 0.3° |
| O09 | B01 | O08 | H36 | 0.0° | 0.3° |
| C14 | C13 | C18 | C12 | 177.2° | 179.7° |
| C14 | C13 | C12 | C04 | 72.0° | 90.0° |
| C14 | C13 | C12 | H16 | 48.4° | 30.0° |
| C14 | C13 | C12 | H17 | 167.7° | 150.0° |
| C13 | C14 | C15 | H19 | 179.9° | 180.0° |
| C14 | C13 | C18 | H22 | 179.5° | 180.0° |
| C24 | C23 | C22 | H25 | 180.0° | 179.5° |
| C24 | C23 | C22 | B01 | 179.6° | 179.8° |
| C23 | C24 | C19 | H26 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 1.0° | 0.2° |
| C23 | C24 | C19 | C20 | 0.8° | 0.5° |
| C23 | C24 | C19 | S01 | 177.8° | 179.8° |
| C23 | C22 | B01 | C21 | 178.6° | 180.0° |
| C23 | C22 | B01 | O08 | 178.1° | 0.0° |
| C22 | C23 | C24 | C19 | 0.3° | 0.5° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | H24 | 179.4° | 179.9° |
| C22 | C23 | C24 | H26 | 179.7° | 180.0° |
| B01 | C22 | C21 | C20 | 179.3° | 180.0° |
| B01 | C22 | C21 | H24 | 0.8° | 0.1° |
| B01 | C22 | C23 | H25 | 0.5° | 0.3° |
| C22 | B01 | O08 | H36 | 176.8° | 180.0° |
| O08 | B01 | C22 | C21 | 0.5° | 180.0° |
| C18 | C13 | C12 | C04 | 105.2° | 90.3° |
| C18 | C13 | C12 | H16 | 134.5° | 149.7° |
| C18 | C13 | C12 | H17 | 15.1° | 29.7° |
| C18 | C13 | C14 | H18 | 179.6° | 179.7° |
| C13 | C18 | C17 | H21 | 179.9° | 179.7° |
| C13 | C12 | C04 | H16 | 120.3° | 120.0° |
| C13 | C12 | C04 | H17 | 120.3° | 120.1° |
| C13 | C12 | C04 | N02 | 56.9° | 65.0° |
| C13 | C12 | C04 | C03 | 177.2° | 175.0° |
| C13 | C12 | C04 | H6 | 63.6° | 55.0° |
| C13 | C12 | H16 | H17 | 119.1° | 120.0° |
| C12 | C13 | C14 | H18 | 2.3° | 0.0° |
| C12 | C13 | C18 | H22 | 2.3° | 0.3° |
| C24 | C19 | S01 | O06 | 34.2° | 20.6° |
| C24 | C19 | C20 | S01 | 177.2° | 179.7° |
| C24 | C19 | C20 | C21 | 1.2° | 0.3° |
| C24 | C19 | S01 | O07 | 163.1° | 153.6° |
| C24 | C19 | S01 | N01 | 81.5° | 92.9° |
| C24 | C19 | C20 | H23 | 178.8° | 179.8° |
| C19 | C24 | C23 | H25 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H24 | 180.0° | 179.9° |
| C22 | C21 | C20 | H23 | 179.5° | 180.0° |
| C21 | C22 | C23 | H25 | 179.1° | 179.7° |
| O06 | S01 | C19 | C20 | 148.9° | 159.1° |
| O06 | S01 | C19 | O07 | 128.8° | 133.0° |
| O06 | S01 | C19 | N01 | 115.8° | 113.5° |
| O06 | S01 | O07 | N01 | 123.8° | 122.9° |
| O06 | S01 | N01 | C02 | 22.2° | 30.9° |
| O06 | S01 | N01 | C01 | 173.4° | 149.1° |
| C19 | C20 | C21 | H23 | 180.0° | 180.0° |
| C20 | C19 | S01 | O07 | 20.1° | 26.1° |
| C20 | C19 | S01 | N01 | 95.3° | 87.4° |
| C19 | C20 | C21 | H24 | 179.5° | 179.9° |
| C20 | C19 | C24 | H26 | 179.3° | 180.0° |
| S01 | C19 | C20 | C21 | 178.3° | 179.9° |
| C19 | S01 | O07 | N01 | 114.3° | 114.1° |
| C19 | S01 | N01 | C02 | 92.9° | 82.6° |
| C19 | S01 | N01 | C01 | 58.3° | 97.4° |
| S01 | C19 | C20 | H23 | 1.7° | 0.1° |
| S01 | C19 | C24 | H26 | 2.3° | 0.3° |
| C12 | C04 | N02 | C03 | 124.0° | 120.0° |
| C12 | C04 | N02 | H6 | 119.3° | 120.0° |
| C12 | C04 | C03 | H6 | 119.3° | 120.0° |
| C12 | C04 | C03 | C02 | 71.4° | 65.0° |
| C12 | C04 | N02 | C05 | 126.6° | 85.1° |
| C12 | C04 | C03 | O05 | 50.0° | 55.0° |
| C12 | C04 | C03 | H5 | 169.5° | 175.0° |
| C04 | C12 | H16 | H17 | 119.1° | 120.0° |
| C12 | C04 | N02 | H34 | 53.4° | 95.1° |
| O07 | S01 | N01 | C02 | 152.1° | 163.8° |
| O07 | S01 | N01 | C01 | 56.7° | 16.2° |
| S01 | N01 | C02 | C01 | 151.8° | 180.0° |
| S01 | N01 | C02 | C03 | 108.7° | 107.3° |
| S01 | N01 | C01 | C25 | 130.9° | 95.0° |
| S01 | N01 | C01 | H1 | 9.5° | 145.0° |
| S01 | N01 | C01 | H2 | 107.7° | 25.1° |
| S01 | N01 | C02 | H3 | 130.3° | 132.7° |
| S01 | N01 | C02 | H4 | 12.3° | 12.7° |
| C11 | C10 | C09 | H12 | 119.3° | 118.8° |
| C11 | C10 | C09 | H13 | 119.3° | 118.7° |
| C10 | C11 | O04 | H14 | 119.5° | 119.5° |
| C10 | C11 | O04 | H15 | 119.5° | 119.4° |
| C11 | C10 | C09 | C08 | 24.3° | 19.1° |
| C11 | C10 | C09 | C06 | 89.5° | 127.1° |
| C10 | C11 | O04 | C08 | 16.5° | 26.1° |
| C11 | C10 | C09 | H11 | 142.6° | 104.6° |
| C11 | C10 | H12 | H13 | 122.1° | 122.4° |
| C10 | C11 | H14 | H15 | 121.4° | 121.1° |
| C09 | C10 | C11 | O04 | 25.8° | 2.8° |
| C10 | C09 | C08 | C06 | 122.1° | 112.7° |
| C10 | C09 | C08 | H11 | 118.5° | 124.0° |
| C10 | C09 | C06 | H11 | 128.0° | 128.7° |
| C10 | C09 | C08 | O04 | 15.4° | 34.9° |
| C10 | C09 | C06 | O02 | 24.9° | 29.3° |
| C10 | C09 | C08 | O03 | 131.4° | 78.8° |
| C10 | C09 | C06 | C07 | 141.5° | 89.5° |
| C10 | C09 | C06 | H7 | 100.6° | 151.7° |
| C10 | C09 | C08 | H10 | 107.4° | 158.3° |
| C09 | C10 | H12 | H13 | 122.1° | 122.5° |
| C09 | C10 | C11 | H14 | 93.7° | 116.7° |
| C09 | C10 | C11 | H15 | 145.3° | 122.2° |
| N02 | C04 | C03 | H6 | 118.2° | 120.0° |
| N02 | C04 | C03 | C02 | 166.2° | 175.0° |
| C04 | N02 | C05 | H34 | 180.0° | 179.9° |
| N02 | C04 | C03 | O05 | 72.5° | 64.9° |
| C04 | N02 | C05 | O01 | 3.0° | 0.0° |
| C04 | N02 | C05 | O02 | 177.9° | 180.0° |
| N02 | C04 | C03 | H5 | 47.0° | 55.0° |
| N02 | C04 | C12 | H16 | 177.2° | 55.0° |
| N02 | C04 | C12 | H17 | 63.5° | 174.9° |
| C04 | C03 | C02 | N01 | 67.8° | 176.3° |
| C04 | C03 | C02 | O05 | 122.0° | 120.0° |
| C04 | C03 | C02 | H5 | 118.8° | 120.0° |
| C03 | C04 | N02 | C05 | 109.4° | 155.0° |
| C04 | C03 | O05 | H5 | 118.2° | 120.0° |
| C04 | C03 | C02 | H3 | 171.2° | 56.2° |
| C04 | C03 | C02 | H4 | 53.2° | 63.7° |
| C03 | C04 | C12 | H16 | 62.5° | 65.0° |
| C03 | C04 | C12 | H17 | 56.9° | 55.0° |
| C03 | C04 | N02 | H34 | 70.6° | 24.9° |
| C04 | C03 | O05 | H35 | 180.0° | 55.6° |
| C11 | O04 | C08 | C09 | 0.6° | 38.4° |
| C11 | O04 | C08 | O03 | 114.4° | 71.8° |
| C11 | O04 | C08 | H10 | 122.2° | 161.6° |
| O04 | C11 | C10 | H12 | 93.4° | 121.5° |
| O04 | C11 | C10 | H13 | 145.1° | 116.0° |
| O04 | C11 | H14 | H15 | 121.4° | 121.0° |
| N01 | C02 | C03 | H3 | 121.0° | 120.0° |
| N01 | C02 | C03 | H4 | 121.0° | 120.0° |
| N01 | C02 | C03 | O05 | 170.2° | 63.7° |
| C02 | N01 | C01 | C25 | 76.4° | 85.0° |
| C02 | N01 | C01 | H1 | 162.2° | 35.0° |
| C02 | N01 | C01 | H2 | 45.0° | 154.9° |
| N01 | C02 | H3 | H4 | 117.0° | 120.0° |
| N01 | C02 | C03 | H5 | 51.0° | 56.3° |
| C01 | N01 | C02 | C03 | 99.5° | 72.7° |
| N01 | C01 | C25 | H1 | 121.4° | 120.0° |
| N01 | C01 | C25 | H2 | 121.4° | 120.0° |
| N01 | C01 | C25 | C26 | 58.8° | 65.0° |
| N01 | C01 | C25 | C27 | 179.4° | 175.0° |
| N01 | C01 | H1 | H2 | 115.6° | 120.0° |
| C01 | N01 | C02 | H3 | 21.5° | 47.3° |
| C01 | N01 | C02 | H4 | 139.5° | 167.3° |
| N01 | C01 | C25 | H27 | 61.2° | 55.0° |
| C02 | C03 | O05 | H5 | 118.3° | 120.0° |
| C03 | C02 | H3 | H4 | 117.0° | 119.9° |
| C02 | C03 | C04 | H6 | 48.0° | 55.0° |
| C02 | C03 | O05 | H35 | 56.5° | 64.5° |
| N02 | C05 | O01 | O02 | 179.1° | 180.0° |
| N02 | C05 | O02 | C06 | 170.7° | 180.0° |
| C05 | N02 | C04 | H6 | 7.3° | 35.0° |
| O05 | C03 | C02 | H3 | 49.3° | 176.3° |
| O05 | C03 | C02 | H4 | 68.8° | 56.3° |
| O05 | C03 | C04 | H6 | 169.3° | 175.0° |
| O01 | C05 | O02 | C06 | 10.2° | 0.0° |
| O01 | C05 | N02 | H34 | 177.0° | 179.9° |
| C05 | O02 | C06 | C09 | 109.2° | 153.2° |
| C05 | O02 | C06 | C07 | 142.0° | 91.5° |
| C05 | O02 | C06 | H7 | 14.9° | 30.9° |
| O02 | C05 | N02 | H34 | 2.1° | 0.1° |
| C08 | C09 | C06 | H11 | 119.3° | 123.5° |
| C09 | C08 | O04 | O03 | 115.0° | 110.2° |
| C09 | C08 | O04 | H10 | 121.7° | 123.2° |
| C08 | C09 | C06 | O02 | 87.8° | 137.2° |
| C09 | C08 | O03 | H10 | 120.0° | 123.0° |
| C08 | C09 | C06 | C07 | 28.9° | 18.4° |
| C09 | C08 | O03 | C07 | 16.0° | 37.6° |
| C08 | C09 | C06 | H7 | 146.8° | 100.4° |
| C08 | C09 | C10 | H12 | 95.0° | 99.6° |
| C08 | C09 | C10 | H13 | 143.6° | 137.9° |
| C06 | C09 | C08 | O04 | 106.7° | 147.6° |
| C09 | C06 | O02 | C07 | 108.8° | 115.3° |
| C09 | C06 | O02 | H7 | 124.1° | 122.4° |
| C06 | C09 | C08 | O03 | 9.3° | 33.9° |
| C09 | C06 | C07 | H7 | 117.6° | 118.8° |
| C09 | C06 | C07 | O03 | 39.5° | 3.1° |
| C09 | C06 | C07 | H8 | 79.9° | 116.3° |
| C09 | C06 | C07 | H9 | 158.9° | 122.7° |
| C06 | C09 | C08 | H10 | 130.5° | 89.0° |
| C06 | C09 | C10 | H12 | 151.2° | 8.3° |
| C06 | C09 | C10 | H13 | 29.8° | 114.2° |
| O04 | C08 | O03 | H10 | 123.5° | 127.0° |
| O04 | C08 | O03 | C07 | 132.5° | 147.7° |
| O04 | C08 | C09 | H11 | 133.9° | 89.1° |
| C08 | O04 | C11 | H14 | 103.1° | 93.3° |
| C08 | O04 | C11 | H15 | 136.0° | 145.5° |
| C01 | C25 | C26 | C27 | 121.0° | 120.0° |
| C01 | C25 | C26 | H27 | 120.0° | 120.0° |
| C01 | C25 | C27 | H27 | 119.4° | 119.9° |
| C25 | C01 | H1 | H2 | 115.6° | 120.0° |
| C01 | C25 | C26 | H28 | 180.0° | 180.0° |
| C01 | C25 | C26 | H29 | 60.0° | 60.0° |
| C01 | C25 | C26 | H30 | 60.0° | 60.0° |
| C01 | C25 | C27 | H31 | 180.0° | 60.0° |
| C01 | C25 | C27 | H32 | 60.0° | 180.0° |
| C01 | C25 | C27 | H33 | 60.0° | 60.1° |
| O02 | C06 | C07 | H7 | 128.0° | 122.3° |
| O02 | C06 | C07 | O03 | 74.9° | 115.8° |
| O02 | C06 | C07 | H8 | 165.7° | 124.8° |
| O02 | C06 | C07 | H9 | 44.5° | 3.7° |
| O02 | C06 | C09 | H11 | 152.9° | 99.3° |
| C08 | O03 | C07 | C06 | 35.9° | 25.8° |
| C08 | O03 | C07 | H8 | 83.4° | 93.6° |
| C08 | O03 | C07 | H9 | 155.3° | 145.4° |
| O03 | C08 | C09 | H11 | 110.0° | 157.2° |
| C06 | C07 | O03 | H8 | 119.4° | 119.4° |
| C06 | C07 | O03 | H9 | 119.4° | 119.5° |
| C06 | C07 | H8 | H9 | 121.8° | 121.0° |
| C07 | C06 | C09 | H11 | 90.4° | 141.8° |
| C26 | C25 | C27 | H27 | 118.9° | 120.1° |
| C26 | C25 | C01 | H1 | 62.6° | 175.0° |
| C26 | C25 | C01 | H2 | 179.9° | 55.1° |
| C25 | C26 | H28 | H29 | 120.0° | 120.0° |
| C25 | C26 | H28 | H30 | 120.0° | 120.0° |
| C25 | C26 | H29 | H30 | 120.0° | 120.0° |
| C26 | C25 | C27 | H31 | 58.3° | 180.0° |
| C26 | C25 | C27 | H32 | 61.7° | 60.0° |
| C26 | C25 | C27 | H33 | 178.3° | 59.9° |
| C27 | C25 | C01 | H1 | 58.0° | 55.0° |
| C27 | C25 | C01 | H2 | 59.3° | 65.0° |
| C27 | C25 | C26 | H28 | 59.0° | 60.0° |
| C27 | C25 | C26 | H29 | 179.0° | 180.0° |
| C27 | C25 | C26 | H30 | 61.0° | 60.0° |
| C25 | C27 | H31 | H32 | 120.0° | 120.0° |
| C25 | C27 | H31 | H33 | 120.0° | 120.0° |
| C25 | C27 | H32 | H33 | 120.0° | 120.0° |
| O03 | C07 | C06 | H7 | 157.1° | 121.9° |
| O03 | C07 | H8 | H9 | 121.8° | 121.1° |
| C07 | O03 | C08 | H10 | 104.0° | 85.4° |
| H1 | C01 | C25 | H27 | 177.4° | 65.0° |
| H2 | C01 | C25 | H27 | 60.2° | 175.1° |
| H3 | C02 | C03 | H5 | 70.0° | 63.8° |
| H4 | C02 | C03 | H5 | 172.0° | 176.3° |
| H5 | C03 | C04 | H6 | 71.2° | 65.0° |
| H5 | C03 | O05 | H35 | 61.8° | 175.5° |
| H6 | C04 | C12 | H16 | 56.7° | 175.0° |
| H6 | C04 | C12 | H17 | 176.1° | 65.0° |
| H6 | C04 | N02 | H34 | 172.7° | 144.9° |
| H7 | C06 | C07 | H8 | 37.7° | 2.4° |
| H7 | C06 | C07 | H9 | 83.5° | 118.6° |
| H7 | C06 | C09 | H11 | 27.4° | 23.1° |
| H10 | C08 | C09 | H11 | 11.1° | 34.3° |
| H11 | C09 | C10 | H12 | 23.3° | 136.6° |
| H11 | C09 | C10 | H13 | 98.1° | 14.1° |
| H12 | C10 | C11 | H14 | 147.0° | 2.1° |
| H12 | C10 | C11 | H15 | 26.1° | 119.1° |
| H13 | C10 | C11 | H14 | 25.5° | 124.6° |
| H13 | C10 | C11 | H15 | 95.4° | 3.4° |
| H18 | C14 | C15 | H19 | 0.1° | 0.0° |
| H19 | C15 | C16 | H20 | 0.6° | 0.1° |
| H20 | C16 | C17 | H21 | 0.4° | 0.1° |
| H21 | C17 | C18 | H22 | 0.1° | 0.3° |
| H23 | C20 | C21 | H24 | 0.5° | 0.1° |
| H25 | C23 | C24 | H26 | 0.3° | 0.5° |
| H27 | C25 | C26 | H28 | 60.0° | 60.0° |
| H27 | C25 | C26 | H29 | 60.0° | 59.9° |
| H27 | C25 | C26 | H30 | 180.0° | 180.0° |
| H27 | C25 | C27 | H31 | 60.6° | 60.0° |
| H27 | C25 | C27 | H32 | 179.4° | 60.0° |
| H27 | C25 | C27 | H33 | 59.4° | 180.0° |
| H28 | C26 | H29 | H30 | 120.0° | 120.0° |
| H31 | C27 | H32 | H33 | 120.0° | 120.0° |
