WB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.54Å | 1.56Å | |
| C02 | C07 | sing | 1.54Å | 1.56Å | |
| C02 | C32 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.54Å | 1.54Å | |
| C03 | C08 | sing | 1.54Å | 1.50Å | |
| C04 | C05 | sing | 1.54Å | 1.61Å | |
| C05 | C06 | sing | 1.54Å | 1.61Å | |
| C06 | C07 | sing | 1.54Å | 1.56Å | |
| C06 | C09 | sing | 1.53Å | 1.59Å | |
| C07 | C08 | sing | 1.54Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | O11 | sing | 1.43Å | 1.42Å | |
| O11 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.42Å | |
| N14 | C19 | sing | 1.47Å | 1.43Å | |
| N14 | C20 | sing | 1.47Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| O17 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | O30 | sing | 1.36Å | 1.41Å | |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O28 | sing | 1.36Å | 1.40Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | BR1 | sing | 1.89Å | 1.92Å | |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| O30 | C31 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C04 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 78.7° | 113.8° |
| C01 | C02 | C07 | 130.2° | 113.8° |
| C01 | C02 | C32 | 74.8° | 113.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C03 | C02 | C07 | 86.6° | 85.7° |
| C03 | C02 | C32 | 130.5° | 113.9° |
| C02 | C03 | C04 | 66.3° | 111.2° |
| C02 | C03 | C08 | 88.3° | 85.8° |
| C02 | C03 | H4 | 111.4° | 115.5° |
| C07 | C02 | C32 | 79.8° | 114.0° |
| C02 | C07 | C06 | 67.1° | 111.2° |
| C02 | C07 | C08 | 88.0° | 85.8° |
| C02 | C07 | H9 | 111.5° | 115.5° |
| C02 | C32 | H38 | 109.5° | 109.5° |
| C02 | C32 | H39 | 109.5° | 109.5° |
| C02 | C32 | H40 | 109.5° | 109.5° |
| C04 | C03 | C08 | 134.8° | 110.9° |
| C03 | C04 | C05 | 109.7° | 108.1° |
| C04 | C03 | H4 | 111.7° | 114.3° |
| C03 | C04 | H5 | 109.4° | 109.8° |
| C03 | C04 | H41 | 109.4° | 109.7° |
| C03 | C08 | C07 | 90.5° | 85.6° |
| C08 | C03 | H4 | 112.3° | 116.0° |
| C03 | C08 | H10 | 114.0° | 113.9° |
| C03 | C08 | H11 | 114.0° | 113.8° |
| C04 | C05 | C06 | 97.4° | 108.6° |
| C05 | C04 | H5 | 109.4° | 109.7° |
| C04 | C05 | H6 | 112.4° | 109.6° |
| C04 | C05 | H7 | 112.4° | 109.6° |
| C05 | C04 | H41 | 109.4° | 109.7° |
| C05 | C06 | C07 | 108.3° | 108.1° |
| C05 | C06 | C09 | 110.1° | 109.7° |
| C06 | C05 | H6 | 112.4° | 109.6° |
| C06 | C05 | H7 | 112.4° | 109.7° |
| C05 | C06 | H8 | 108.4° | 109.8° |
| C07 | C06 | C09 | 112.3° | 109.7° |
| C06 | C07 | C08 | 135.2° | 110.9° |
| C07 | C06 | H8 | 109.0° | 109.7° |
| C06 | C07 | H9 | 111.5° | 114.3° |
| C06 | C09 | C10 | 109.3° | 109.5° |
| C09 | C06 | H8 | 108.6° | 109.8° |
| C06 | C09 | H12 | 109.5° | 109.5° |
| C06 | C09 | H13 | 109.5° | 109.5° |
| C08 | C07 | H9 | 112.2° | 116.0° |
| C07 | C08 | H10 | 114.0° | 113.9° |
| C07 | C08 | H11 | 114.0° | 113.9° |
| C09 | C10 | O11 | 106.4° | 109.5° |
| C10 | C09 | H12 | 109.5° | 109.5° |
| C10 | C09 | H13 | 109.5° | 109.5° |
| C09 | C10 | H14 | 110.3° | 109.5° |
| C09 | C10 | H15 | 110.2° | 109.5° |
| C10 | O11 | C12 | 113.4° | 114.0° |
| O11 | C10 | H14 | 110.2° | 109.5° |
| O11 | C10 | H15 | 110.3° | 109.5° |
| O11 | C12 | C13 | 107.1° | 109.5° |
| O11 | C12 | H16 | 110.0° | 109.5° |
| O11 | C12 | H17 | 110.1° | 109.5° |
| C12 | C13 | N14 | 111.6° | 109.5° |
| C13 | C12 | H16 | 110.1° | 109.5° |
| C13 | C12 | H17 | 110.0° | 109.5° |
| C12 | C13 | H18 | 109.0° | 109.5° |
| C12 | C13 | H19 | 108.9° | 109.4° |
| C13 | N14 | C15 | 107.7° | 109.5° |
| C13 | N14 | C19 | 109.5° | 109.5° |
| C13 | N14 | C20 | 109.5° | 109.5° |
| N14 | C13 | H18 | 108.9° | 109.5° |
| N14 | C13 | H19 | 108.9° | 109.5° |
| C15 | N14 | C19 | 109.8° | 109.4° |
| C15 | N14 | C20 | 111.7° | 109.5° |
| N14 | C15 | C16 | 107.4° | 109.3° |
| N14 | C15 | H20 | 110.0° | 109.5° |
| N14 | C15 | H21 | 110.0° | 109.5° |
| C19 | N14 | C20 | 108.6° | 109.5° |
| N14 | C19 | C18 | 111.8° | 109.4° |
| N14 | C19 | H26 | 108.9° | 109.5° |
| N14 | C19 | H27 | 108.9° | 109.5° |
| N14 | C20 | C21 | 113.9° | 109.5° |
| N14 | C20 | H28 | 108.3° | 109.5° |
| N14 | C20 | H29 | 108.3° | 109.5° |
| C15 | C16 | O17 | 109.4° | 109.2° |
| C16 | C15 | H20 | 110.0° | 109.5° |
| C16 | C15 | H21 | 110.0° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C16 | O17 | C18 | 111.0° | 113.6° |
| O17 | C16 | H22 | 109.5° | 109.5° |
| O17 | C16 | H23 | 109.5° | 109.6° |
| O17 | C18 | C19 | 111.7° | 109.2° |
| O17 | C18 | H24 | 108.9° | 109.5° |
| O17 | C18 | H25 | 108.9° | 109.5° |
| C19 | C18 | H24 | 108.9° | 109.6° |
| C19 | C18 | H25 | 108.9° | 109.5° |
| C18 | C19 | H26 | 108.9° | 109.5° |
| C18 | C19 | H27 | 108.9° | 109.5° |
| C20 | C21 | C22 | 121.2° | 119.9° |
| C20 | C21 | C26 | 119.5° | 119.9° |
| C21 | C20 | H28 | 108.4° | 109.4° |
| C21 | C20 | H29 | 108.4° | 109.5° |
| C22 | C21 | C26 | 119.3° | 120.2° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C21 | C22 | H30 | 120.2° | 120.0° |
| C21 | C26 | C25 | 121.4° | 120.1° |
| C21 | C26 | BR1 | 119.0° | 120.0° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C22 | C23 | O30 | 120.5° | 120.0° |
| C23 | C22 | H30 | 120.1° | 120.0° |
| C24 | C23 | O30 | 119.2° | 120.1° |
| C23 | C24 | C25 | 120.5° | 119.9° |
| C23 | C24 | O28 | 119.2° | 120.1° |
| C23 | O30 | C31 | 110.8° | 117.0° |
| C25 | C24 | O28 | 120.3° | 120.1° |
| C24 | C25 | C26 | 118.9° | 120.0° |
| C24 | C25 | H31 | 120.5° | 120.0° |
| C24 | O28 | C29 | 109.5° | 117.0° |
| C25 | C26 | BR1 | 119.6° | 119.9° |
| C26 | C25 | H31 | 120.5° | 120.0° |
| O28 | C29 | H32 | 109.5° | 109.5° |
| O28 | C29 | H33 | 109.5° | 109.4° |
| O28 | C29 | H34 | 109.5° | 109.4° |
| O30 | C31 | H35 | 109.5° | 109.4° |
| O30 | C31 | H36 | 109.5° | 109.4° |
| O30 | C31 | H37 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C04 | H41 | 109.5° | 109.8° |
| H6 | C05 | H7 | 109.5° | 109.7° |
| H10 | C08 | H11 | 109.5° | 113.1° |
| H12 | C09 | H13 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H34 | 109.4° | 109.4° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.4° |
| H38 | C32 | H40 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C07 | 132.1° | 114.2° |
| C01 | C02 | C03 | C32 | 58.6° | 131.4° |
| C01 | C02 | C07 | C32 | 60.0° | 131.6° |
| C01 | C02 | C03 | C04 | 105.5° | 165.6° |
| C01 | C02 | C03 | C08 | 113.0° | 83.7° |
| C01 | C02 | C07 | C06 | 165.0° | 165.6° |
| C01 | C02 | C07 | C08 | 53.3° | 83.6° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | C03 | H4 | 0.3° | 33.2° |
| C01 | C02 | C07 | H9 | 59.8° | 33.3° |
| C01 | C02 | C32 | H38 | 180.0° | 56.8° |
| C01 | C02 | C32 | H39 | 60.0° | 176.7° |
| C01 | C02 | C32 | H40 | 60.0° | 63.3° |
| C03 | C02 | C07 | C32 | 132.2° | 114.3° |
| C02 | C03 | C04 | C08 | 61.2° | 93.6° |
| C02 | C03 | C04 | H4 | 104.7° | 132.9° |
| C02 | C03 | C08 | H4 | 112.5° | 116.3° |
| C02 | C03 | C04 | C05 | 72.4° | 72.0° |
| C03 | C02 | C07 | C06 | 122.8° | 80.2° |
| C03 | C02 | C07 | C08 | 18.9° | 30.6° |
| C03 | C02 | C01 | H1 | 180.0° | 79.6° |
| C03 | C02 | C01 | H2 | 60.0° | 160.5° |
| C03 | C02 | C01 | H3 | 60.0° | 40.5° |
| C02 | C03 | C04 | H5 | 47.6° | 47.6° |
| C03 | C02 | C07 | H9 | 132.0° | 147.5° |
| C02 | C03 | C08 | H10 | 136.3° | 144.7° |
| C02 | C03 | C08 | H11 | 97.0° | 83.7° |
| C03 | C02 | C32 | H38 | 119.9° | 75.1° |
| C03 | C02 | C32 | H39 | 0.1° | 44.9° |
| C03 | C02 | C32 | H40 | 120.1° | 164.9° |
| C02 | C03 | C04 | H41 | 167.6° | 168.4° |
| C07 | C02 | C03 | C04 | 122.4° | 80.2° |
| C02 | C07 | C06 | C05 | 71.6° | 72.0° |
| C02 | C07 | C06 | C08 | 61.4° | 93.6° |
| C02 | C07 | C06 | H9 | 105.1° | 133.0° |
| C02 | C07 | C06 | C09 | 166.6° | 168.4° |
| C02 | C07 | C08 | H9 | 112.4° | 116.4° |
| C07 | C02 | C01 | H1 | 104.3° | 175.7° |
| C07 | C02 | C01 | H2 | 15.7° | 64.4° |
| C07 | C02 | C01 | H3 | 135.7° | 55.6° |
| C07 | C02 | C03 | H4 | 132.4° | 147.4° |
| C02 | C07 | C06 | H8 | 46.1° | 47.6° |
| C02 | C07 | C08 | H10 | 136.3° | 144.7° |
| C02 | C07 | C08 | H11 | 97.0° | 83.6° |
| C07 | C02 | C32 | H38 | 43.3° | 171.3° |
| C07 | C02 | C32 | H39 | 76.7° | 51.3° |
| C07 | C02 | C32 | H40 | 163.3° | 68.7° |
| C32 | C02 | C03 | C04 | 164.0° | 34.2° |
| C32 | C02 | C03 | C08 | 54.5° | 144.9° |
| C32 | C02 | C07 | C06 | 105.0° | 34.1° |
| C32 | C02 | C07 | C08 | 113.3° | 144.8° |
| C32 | C02 | C01 | H1 | 42.2° | 52.3° |
| C32 | C02 | C01 | H2 | 77.8° | 67.7° |
| C32 | C02 | C01 | H3 | 162.2° | 172.4° |
| C32 | C02 | C03 | H4 | 58.8° | 98.2° |
| C32 | C02 | C07 | H9 | 0.2° | 98.3° |
| C02 | C32 | H38 | H39 | 120.0° | 120.0° |
| C02 | C32 | H38 | H40 | 120.0° | 120.1° |
| C02 | C32 | H39 | H40 | 120.0° | 120.0° |
| C04 | C03 | C08 | H4 | 165.9° | 132.6° |
| C03 | C04 | C05 | H5 | 120.0° | 119.6° |
| C03 | C04 | C05 | H41 | 120.0° | 119.6° |
| C03 | C04 | C05 | C06 | 58.2° | 46.5° |
| C04 | C03 | C08 | C07 | 33.8° | 80.5° |
| C03 | C04 | H5 | H41 | 119.9° | 120.7° |
| C03 | C04 | C05 | H6 | 176.2° | 166.3° |
| C03 | C04 | C05 | H7 | 59.8° | 73.3° |
| C04 | C03 | C08 | H10 | 82.9° | 33.7° |
| C04 | C03 | C08 | H11 | 150.4° | 165.3° |
| C08 | C03 | C04 | C05 | 11.2° | 21.6° |
| C03 | C08 | C07 | C06 | 34.4° | 80.6° |
| C03 | C08 | C07 | H10 | 116.7° | 114.2° |
| C03 | C08 | C07 | H11 | 116.6° | 114.1° |
| C08 | C03 | C04 | H5 | 108.8° | 141.2° |
| C03 | C08 | C07 | H9 | 132.1° | 146.9° |
| C03 | C08 | H10 | H11 | 129.0° | 132.0° |
| C08 | C03 | C04 | H41 | 131.2° | 98.0° |
| C04 | C05 | C06 | H6 | 118.0° | 119.7° |
| C04 | C05 | C06 | H7 | 118.0° | 119.8° |
| C04 | C05 | C06 | C07 | 57.1° | 46.5° |
| C04 | C05 | C06 | C09 | 179.7° | 166.1° |
| C05 | C04 | C03 | H4 | 177.2° | 155.1° |
| C05 | C04 | H5 | H41 | 119.9° | 120.7° |
| C04 | C05 | H6 | H7 | 125.6° | 120.4° |
| C04 | C05 | C06 | H8 | 61.1° | 73.1° |
| C05 | C06 | C07 | C09 | 121.9° | 119.6° |
| C05 | C06 | C07 | H8 | 117.7° | 119.6° |
| C05 | C06 | C09 | H8 | 118.5° | 120.7° |
| C05 | C06 | C07 | C08 | 10.2° | 21.6° |
| C05 | C06 | C09 | C10 | 10.0° | 65.0° |
| C06 | C05 | C04 | H5 | 61.8° | 73.1° |
| C06 | C05 | H6 | H7 | 125.7° | 120.5° |
| C05 | C06 | C07 | H9 | 176.7° | 155.0° |
| C05 | C06 | C09 | H12 | 129.9° | 55.0° |
| C05 | C06 | C09 | H13 | 110.0° | 175.0° |
| C06 | C05 | C04 | H41 | 178.2° | 166.1° |
| C07 | C06 | C09 | H8 | 120.7° | 120.7° |
| C06 | C07 | C08 | H9 | 166.5° | 132.5° |
| C07 | C06 | C09 | C10 | 110.9° | 176.4° |
| C07 | C06 | C05 | H6 | 175.1° | 166.2° |
| C07 | C06 | C05 | H7 | 60.9° | 73.3° |
| C06 | C07 | C08 | H10 | 82.3° | 33.6° |
| C06 | C07 | C08 | H11 | 151.0° | 165.3° |
| C07 | C06 | C09 | H12 | 9.1° | 63.6° |
| C07 | C06 | C09 | H13 | 129.2° | 56.4° |
| C09 | C06 | C07 | C08 | 132.0° | 98.0° |
| C06 | C09 | C10 | H12 | 120.0° | 120.0° |
| C06 | C09 | C10 | H13 | 120.0° | 120.0° |
| C06 | C09 | C10 | O11 | 86.5° | 180.0° |
| C09 | C06 | C05 | H6 | 61.7° | 74.1° |
| C09 | C06 | C05 | H7 | 62.3° | 46.4° |
| C09 | C06 | C07 | H9 | 61.4° | 35.4° |
| C06 | C09 | H12 | H13 | 120.1° | 120.0° |
| C06 | C09 | C10 | H14 | 154.0° | 60.0° |
| C06 | C09 | C10 | H15 | 33.0° | 60.0° |
| C07 | C08 | C03 | H4 | 132.1° | 146.8° |
| C08 | C07 | C06 | H8 | 107.6° | 141.3° |
| C07 | C08 | H10 | H11 | 129.0° | 132.0° |
| C09 | C10 | O11 | H14 | 119.5° | 120.0° |
| C09 | C10 | O11 | H15 | 119.5° | 120.0° |
| C09 | C10 | O11 | C12 | 144.0° | 180.0° |
| C10 | C09 | C06 | H8 | 128.4° | 55.7° |
| C10 | C09 | H12 | H13 | 120.1° | 120.0° |
| C09 | C10 | H14 | H15 | 121.4° | 120.0° |
| C10 | O11 | C12 | C13 | 30.5° | 180.0° |
| O11 | C10 | C09 | H12 | 33.5° | 60.0° |
| O11 | C10 | C09 | H13 | 153.5° | 60.0° |
| O11 | C10 | H14 | H15 | 121.4° | 120.0° |
| C10 | O11 | C12 | H16 | 150.2° | 60.0° |
| C10 | O11 | C12 | H17 | 89.1° | 60.0° |
| O11 | C12 | C13 | H16 | 119.6° | 120.0° |
| O11 | C12 | C13 | H17 | 119.6° | 120.0° |
| O11 | C12 | C13 | N14 | 140.7° | 69.8° |
| C12 | O11 | C10 | H14 | 24.4° | 60.0° |
| C12 | O11 | C10 | H15 | 96.6° | 60.0° |
| O11 | C12 | H16 | H17 | 121.1° | 120.0° |
| O11 | C12 | C13 | H18 | 20.4° | 170.2° |
| O11 | C12 | C13 | H19 | 99.0° | 50.2° |
| C12 | C13 | N14 | H18 | 120.3° | 120.0° |
| C12 | C13 | N14 | H19 | 120.3° | 120.0° |
| C12 | C13 | N14 | C15 | 149.9° | 63.2° |
| C12 | C13 | N14 | C19 | 30.6° | 56.7° |
| C12 | C13 | N14 | C20 | 88.4° | 176.8° |
| C13 | C12 | H16 | H17 | 121.1° | 120.0° |
| C12 | C13 | H18 | H19 | 119.0° | 120.0° |
| C13 | N14 | C15 | C19 | 119.2° | 120.0° |
| C13 | N14 | C15 | C20 | 120.3° | 120.0° |
| C13 | N14 | C19 | C20 | 119.5° | 120.0° |
| C13 | N14 | C15 | C16 | 65.2° | 180.0° |
| C13 | N14 | C19 | C18 | 124.1° | 180.0° |
| C13 | N14 | C20 | C21 | 126.5° | 56.6° |
| N14 | C13 | C12 | H16 | 99.7° | 50.2° |
| N14 | C13 | C12 | H17 | 21.1° | 170.2° |
| N14 | C13 | H18 | H19 | 119.1° | 120.0° |
| C13 | N14 | C15 | H20 | 54.5° | 60.1° |
| C13 | N14 | C15 | H21 | 175.1° | 60.0° |
| C13 | N14 | C19 | H26 | 115.5° | 60.0° |
| C13 | N14 | C19 | H27 | 3.8° | 60.0° |
| C13 | N14 | C20 | H28 | 5.8° | 176.6° |
| C13 | N14 | C20 | H29 | 112.8° | 63.4° |
| C15 | N14 | C19 | C20 | 122.4° | 120.0° |
| N14 | C15 | C16 | H20 | 119.7° | 120.0° |
| N14 | C15 | C16 | H21 | 119.7° | 120.0° |
| N14 | C15 | C16 | O17 | 71.8° | 57.6° |
| C15 | N14 | C19 | C18 | 6.0° | 60.0° |
| C15 | N14 | C20 | C21 | 7.3° | 176.6° |
| C15 | N14 | C13 | H18 | 29.6° | 56.8° |
| C15 | N14 | C13 | H19 | 89.8° | 176.8° |
| N14 | C15 | H20 | H21 | 120.9° | 120.1° |
| N14 | C15 | C16 | H22 | 48.2° | 177.6° |
| N14 | C15 | C16 | H23 | 168.3° | 62.3° |
| C15 | N14 | C19 | H26 | 126.4° | 180.0° |
| C15 | N14 | C19 | H27 | 114.3° | 59.9° |
| C15 | N14 | C20 | H28 | 113.4° | 63.4° |
| C15 | N14 | C20 | H29 | 127.9° | 56.6° |
| C19 | N14 | C15 | C16 | 54.0° | 60.0° |
| N14 | C19 | C18 | O17 | 58.2° | 57.6° |
| N14 | C19 | C18 | H26 | 120.3° | 120.0° |
| N14 | C19 | C18 | H27 | 120.3° | 120.0° |
| C19 | N14 | C20 | C21 | 114.0° | 63.4° |
| C19 | N14 | C13 | H18 | 89.8° | 176.7° |
| C19 | N14 | C13 | H19 | 150.8° | 63.3° |
| C19 | N14 | C15 | H20 | 173.7° | 59.9° |
| C19 | N14 | C15 | H21 | 65.7° | 180.0° |
| N14 | C19 | C18 | H24 | 178.6° | 177.6° |
| N14 | C19 | C18 | H25 | 62.1° | 62.3° |
| N14 | C19 | H26 | H27 | 118.9° | 120.1° |
| C19 | N14 | C20 | H28 | 125.3° | 56.5° |
| C19 | N14 | C20 | H29 | 6.7° | 176.6° |
| C20 | N14 | C15 | C16 | 174.5° | 60.0° |
| C20 | N14 | C19 | C18 | 116.4° | 60.0° |
| N14 | C20 | C21 | H28 | 120.7° | 120.0° |
| N14 | C20 | C21 | H29 | 120.7° | 120.0° |
| N14 | C20 | C21 | C22 | 87.5° | 91.9° |
| N14 | C20 | C21 | C26 | 94.1° | 88.3° |
| C20 | N14 | C13 | H18 | 151.3° | 63.2° |
| C20 | N14 | C13 | H19 | 31.9° | 56.8° |
| C20 | N14 | C15 | H20 | 65.8° | 179.9° |
| C20 | N14 | C15 | H21 | 54.8° | 60.0° |
| C20 | N14 | C19 | H26 | 4.0° | 60.0° |
| C20 | N14 | C19 | H27 | 123.3° | 179.9° |
| N14 | C20 | H28 | H29 | 117.9° | 120.0° |
| C15 | C16 | O17 | H22 | 120.0° | 119.9° |
| C15 | C16 | O17 | H23 | 120.0° | 119.9° |
| C15 | C16 | O17 | C18 | 19.0° | 57.9° |
| C16 | C15 | H20 | H21 | 120.9° | 120.1° |
| C15 | C16 | H22 | H23 | 120.0° | 120.1° |
| C16 | O17 | C18 | C19 | 41.0° | 57.9° |
| O17 | C16 | C15 | H20 | 168.5° | 62.3° |
| O17 | C16 | C15 | H21 | 47.9° | 177.6° |
| O17 | C16 | H22 | H23 | 120.0° | 120.2° |
| C16 | O17 | C18 | H24 | 161.4° | 177.9° |
| C16 | O17 | C18 | H25 | 79.3° | 62.0° |
| O17 | C18 | C19 | H24 | 120.4° | 119.9° |
| O17 | C18 | C19 | H25 | 120.4° | 119.9° |
| C18 | O17 | C16 | H22 | 101.0° | 177.8° |
| C18 | O17 | C16 | H23 | 138.9° | 62.0° |
| O17 | C18 | H24 | H25 | 119.0° | 120.1° |
| O17 | C18 | C19 | H26 | 178.6° | 177.6° |
| O17 | C18 | C19 | H27 | 62.1° | 62.4° |
| C19 | C18 | H24 | H25 | 119.0° | 120.1° |
| C18 | C19 | H26 | H27 | 118.9° | 120.0° |
| C20 | C21 | C22 | C26 | 178.4° | 179.7° |
| C20 | C21 | C22 | C23 | 179.3° | 179.9° |
| C20 | C21 | C26 | C25 | 179.4° | 179.7° |
| C20 | C21 | C26 | BR1 | 1.1° | 0.1° |
| C21 | C20 | H28 | H29 | 118.0° | 120.0° |
| C20 | C21 | C22 | H30 | 0.7° | 0.0° |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | O30 | 178.7° | 180.0° |
| C22 | C21 | C26 | C25 | 1.0° | 0.6° |
| C22 | C21 | C26 | BR1 | 179.6° | 179.7° |
| C22 | C21 | C20 | H28 | 33.2° | 28.1° |
| C22 | C21 | C20 | H29 | 151.9° | 148.1° |
| C26 | C21 | C22 | C23 | 0.9° | 0.3° |
| C21 | C26 | C25 | C24 | 0.1° | 0.5° |
| C21 | C26 | C25 | BR1 | 179.5° | 179.8° |
| C26 | C21 | C20 | H28 | 145.2° | 151.7° |
| C26 | C21 | C20 | H29 | 26.5° | 31.7° |
| C26 | C21 | C22 | H30 | 179.1° | 179.7° |
| C21 | C26 | C25 | H31 | 180.0° | 179.7° |
| C22 | C23 | C24 | O30 | 178.6° | 179.9° |
| C22 | C23 | C24 | C25 | 1.1° | 0.1° |
| C22 | C23 | C24 | O28 | 179.0° | 180.0° |
| C22 | C23 | O30 | C31 | 102.0° | 0.1° |
| C23 | C24 | C25 | O28 | 177.9° | 179.9° |
| C23 | C24 | C25 | C26 | 1.1° | 0.3° |
| C23 | C24 | O28 | C29 | 85.2° | 180.0° |
| C24 | C23 | O30 | C31 | 76.6° | 180.0° |
| C24 | C23 | C22 | H30 | 179.9° | 180.0° |
| C23 | C24 | C25 | H31 | 178.9° | 179.9° |
| O30 | C23 | C24 | C25 | 179.7° | 180.0° |
| O30 | C23 | C24 | O28 | 2.4° | 0.1° |
| O30 | C23 | C22 | H30 | 1.4° | 0.1° |
| C23 | O30 | C31 | H35 | 180.0° | 60.1° |
| C23 | O30 | C31 | H36 | 60.0° | 180.0° |
| C23 | O30 | C31 | H37 | 60.0° | 60.0° |
| C24 | C25 | C26 | H31 | 180.0° | 179.8° |
| C24 | C25 | C26 | BR1 | 179.4° | 179.7° |
| C25 | C24 | O28 | C29 | 92.7° | 0.1° |
| O28 | C24 | C25 | C26 | 179.0° | 179.8° |
| O28 | C24 | C25 | H31 | 1.0° | 0.1° |
| C24 | O28 | C29 | H32 | 180.0° | 60.0° |
| C24 | O28 | C29 | H33 | 60.0° | 60.1° |
| C24 | O28 | C29 | H34 | 60.0° | 179.9° |
| BR1 | C26 | C25 | H31 | 0.6° | 0.1° |
| O28 | C29 | H32 | H33 | 120.0° | 120.0° |
| O28 | C29 | H32 | H34 | 120.0° | 120.0° |
| O28 | C29 | H33 | H34 | 120.0° | 119.9° |
| O30 | C31 | H35 | H36 | 120.0° | 119.9° |
| O30 | C31 | H35 | H37 | 120.0° | 120.0° |
| O30 | C31 | H36 | H37 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H5 | 57.1° | 85.3° |
| H4 | C03 | C08 | H10 | 111.2° | 99.0° |
| H4 | C03 | C08 | H11 | 15.5° | 32.7° |
| H4 | C03 | C04 | H41 | 62.8° | 35.5° |
| H5 | C04 | C05 | H6 | 56.2° | 46.6° |
| H5 | C04 | C05 | H7 | 179.8° | 167.1° |
| H6 | C05 | C06 | H8 | 56.9° | 46.6° |
| H6 | C05 | C04 | H41 | 63.8° | 74.1° |
| H7 | C05 | C06 | H8 | 179.1° | 167.1° |
| H7 | C05 | C04 | H41 | 60.2° | 46.3° |
| H8 | C06 | C07 | H9 | 59.0° | 85.3° |
| H8 | C06 | C09 | H12 | 111.6° | 175.7° |
| H8 | C06 | C09 | H13 | 8.5° | 64.3° |
| H9 | C07 | C08 | H10 | 111.3° | 98.9° |
| H9 | C07 | C08 | H11 | 15.4° | 32.8° |
| H12 | C09 | C10 | H14 | 86.0° | 180.0° |
| H12 | C09 | C10 | H15 | 153.0° | 60.0° |
| H13 | C09 | C10 | H14 | 34.0° | 60.0° |
| H13 | C09 | C10 | H15 | 87.0° | NaN° |
| H16 | C12 | C13 | H18 | 140.0° | 69.8° |
| H16 | C12 | C13 | H19 | 20.6° | 170.2° |
| H17 | C12 | C13 | H18 | 99.2° | 50.1° |
| H17 | C12 | C13 | H19 | 141.4° | 69.8° |
| H20 | C15 | C16 | H22 | 71.5° | 57.6° |
| H20 | C15 | C16 | H23 | 48.6° | 177.7° |
| H21 | C15 | C16 | H22 | 167.9° | 62.4° |
| H21 | C15 | C16 | H23 | 72.0° | 57.7° |
| H24 | C18 | C19 | H26 | 61.1° | 62.4° |
| H24 | C18 | C19 | H27 | 58.2° | 57.5° |
| H25 | C18 | C19 | H26 | 58.2° | 57.7° |
| H25 | C18 | C19 | H27 | 177.5° | 177.7° |
| H32 | C29 | H33 | H34 | 120.0° | 120.0° |
| H35 | C31 | H36 | H37 | 120.0° | 120.1° |
| H38 | C32 | H39 | H40 | 119.9° | 120.0° |
