QU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C05 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C06 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | S12 | sing | 1.76Å | 1.83Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | N15 | sing | 1.46Å | 1.46Å | |
| C16 | C24 | sing | 1.53Å | 1.49Å | |
| N15 | S12 | sing | 1.66Å | 1.75Å | |
| S12 | O13 | doub | 1.42Å | 1.48Å | |
| S12 | O14 | doub | 1.42Å | 1.48Å | |
| C24 | O25 | sing | 1.43Å | 1.41Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | O31 | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | N28 | doub | 1.31Å | 1.34Å | Aromatic |
| O31 | N30 | sing | 1.21Å | 1.38Å | Aromatic |
| N28 | C29 | sing | 1.35Å | 1.37Å | Aromatic |
| N30 | C29 | doub | 1.31Å | 1.35Å | Aromatic |
| C29 | N32 | sing | 1.39Å | 1.45Å | |
| N32 | C34 | sing | 1.47Å | 1.47Å | |
| N32 | C33 | sing | 1.47Å | 1.44Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.08Å | 1.08Å | |
| C08 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| N15 | H24 | sing | 0.97Å | 1.00Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| O25 | H28 | sing | 0.97Å | 0.95Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C05 | 107.5° | 109.5° |
| C04 | C03 | C02 | 110.2° | 109.4° |
| C04 | C03 | C06 | 108.1° | 109.5° |
| C03 | C04 | H15 | 109.5° | 109.5° |
| C03 | C04 | H16 | 109.4° | 109.4° |
| C03 | C04 | H17 | 109.5° | 109.5° |
| C05 | C03 | C02 | 106.3° | 109.4° |
| C05 | C03 | C06 | 107.3° | 109.5° |
| C03 | C05 | H18 | 109.5° | 109.4° |
| C03 | C05 | H19 | 109.5° | 109.4° |
| C03 | C05 | H20 | 109.4° | 109.5° |
| C02 | C03 | C06 | 117.1° | 109.5° |
| C03 | C02 | C01 | 116.1° | 109.5° |
| C03 | C02 | H13 | 107.8° | 109.5° |
| C03 | C02 | H14 | 107.8° | 109.5° |
| C03 | C06 | C11 | 121.8° | 120.0° |
| C03 | C06 | C07 | 115.5° | 120.0° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.4° | 109.5° |
| C01 | C02 | H13 | 107.8° | 109.5° |
| C01 | C02 | H14 | 107.8° | 109.4° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C21 | C20 | C19 | 120.7° | 120.0° |
| C21 | C20 | H4 | 119.6° | 120.0° |
| C20 | C21 | H5 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C22 | C21 | H5 | 120.0° | 120.0° |
| C21 | C22 | H6 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.2° | 120.0° |
| C19 | C20 | H4 | 119.7° | 120.0° |
| C20 | C19 | H26 | 120.4° | 120.0° |
| C22 | C23 | C18 | 119.3° | 120.0° |
| C23 | C22 | H6 | 120.1° | 120.0° |
| C22 | C23 | H27 | 120.3° | 120.0° |
| C11 | C06 | C07 | 122.6° | 120.0° |
| C06 | C11 | C10 | 119.2° | 120.1° |
| C06 | C11 | H23 | 120.4° | 120.0° |
| C06 | C07 | C08 | 119.0° | 120.0° |
| C06 | C07 | H21 | 120.5° | 120.0° |
| C11 | C10 | C09 | 118.5° | 120.0° |
| C11 | C10 | H1 | 120.7° | 120.1° |
| C10 | C11 | H23 | 120.4° | 120.0° |
| C19 | C18 | C23 | 121.0° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.0° |
| C18 | C19 | H26 | 120.4° | 120.0° |
| C23 | C18 | C17 | 118.9° | 120.0° |
| C18 | C23 | H27 | 120.4° | 120.0° |
| C07 | C08 | C09 | 119.0° | 120.0° |
| C08 | C07 | H21 | 120.5° | 120.0° |
| C07 | C08 | H22 | 120.5° | 120.0° |
| C10 | C09 | C08 | 121.7° | 120.0° |
| C10 | C09 | S12 | 120.2° | 120.0° |
| C09 | C10 | H1 | 120.8° | 120.0° |
| C18 | C17 | C16 | 107.6° | 109.5° |
| C18 | C17 | H2 | 109.9° | 109.5° |
| C18 | C17 | H3 | 110.0° | 109.5° |
| C08 | C09 | S12 | 118.1° | 120.0° |
| C09 | C08 | H22 | 120.5° | 120.0° |
| C09 | S12 | N15 | 108.2° | 107.2° |
| C09 | S12 | O13 | 106.1° | 106.4° |
| C09 | S12 | O14 | 115.9° | 106.4° |
| C17 | C16 | N15 | 109.9° | 109.5° |
| C17 | C16 | C24 | 108.1° | 109.5° |
| C16 | C17 | H2 | 109.9° | 109.5° |
| C16 | C17 | H3 | 109.9° | 109.5° |
| C17 | C16 | H25 | 109.2° | 109.5° |
| N15 | C16 | C24 | 110.5° | 109.5° |
| C16 | N15 | S12 | 125.7° | 120.0° |
| C16 | N15 | H24 | 105.3° | 120.0° |
| N15 | C16 | H25 | 109.8° | 109.5° |
| C16 | C24 | O25 | 113.2° | 109.5° |
| C16 | C24 | C26 | 107.1° | 109.4° |
| C16 | C24 | H7 | 109.3° | 109.5° |
| C24 | C16 | H25 | 109.4° | 109.4° |
| N15 | S12 | O13 | 116.0° | 106.4° |
| N15 | S12 | O14 | 104.2° | 106.4° |
| S12 | N15 | H24 | 105.3° | 120.0° |
| O13 | S12 | O14 | 106.9° | 123.2° |
| O25 | C24 | C26 | 107.8° | 109.4° |
| O25 | C24 | H7 | 110.6° | 109.5° |
| C24 | O25 | H28 | 109.5° | 114.0° |
| C24 | C26 | C27 | 104.5° | 109.4° |
| C26 | C24 | H7 | 108.7° | 109.5° |
| C24 | C26 | H8 | 110.7° | 109.5° |
| C24 | C26 | H9 | 110.7° | 109.5° |
| C26 | C27 | O31 | 123.5° | 126.4° |
| C26 | C27 | N28 | 126.0° | 126.4° |
| C27 | C26 | H8 | 110.7° | 109.4° |
| C27 | C26 | H9 | 110.7° | 109.5° |
| O31 | C27 | N28 | 110.2° | 107.1° |
| C27 | O31 | N30 | 105.6° | 110.0° |
| C27 | N28 | C29 | 108.4° | 105.5° |
| O31 | N30 | C29 | 109.6° | 110.1° |
| N28 | C29 | N30 | 106.1° | 107.3° |
| N28 | C29 | N32 | 126.4° | 126.4° |
| N30 | C29 | N32 | 127.4° | 126.3° |
| C29 | N32 | C34 | 122.7° | 120.0° |
| C29 | N32 | C33 | 121.8° | 120.0° |
| C34 | N32 | C33 | 115.5° | 120.0° |
| N32 | C34 | H32 | 109.5° | 109.5° |
| N32 | C34 | H33 | 109.4° | 109.5° |
| N32 | C34 | H34 | 109.5° | 109.4° |
| N32 | C33 | H29 | 109.5° | 109.5° |
| N32 | C33 | H30 | 109.5° | 109.5° |
| N32 | C33 | H31 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H13 | C02 | H14 | 109.5° | 109.4° |
| H15 | C04 | H16 | 109.5° | 109.4° |
| H15 | C04 | H17 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.4° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.5° |
| H18 | C05 | H20 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.4° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H34 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C05 | C02 | 118.0° | 119.9° |
| C04 | C03 | C05 | C06 | 116.1° | 120.1° |
| C04 | C03 | C02 | C06 | 124.1° | 120.0° |
| C04 | C03 | C02 | C01 | 110.4° | 60.0° |
| C04 | C03 | C06 | C11 | 10.3° | 60.0° |
| C04 | C03 | C06 | C07 | 165.2° | 119.9° |
| C04 | C03 | C02 | H13 | 128.6° | 180.0° |
| C04 | C03 | C02 | H14 | 10.6° | 60.0° |
| C03 | C04 | H15 | H16 | 120.0° | 119.9° |
| C03 | C04 | H15 | H17 | 120.0° | 120.0° |
| C03 | C04 | H16 | H17 | 120.0° | 120.0° |
| C04 | C03 | C05 | H18 | 180.0° | 180.0° |
| C04 | C03 | C05 | H19 | 60.0° | 60.1° |
| C04 | C03 | C05 | H20 | 60.0° | 59.9° |
| C05 | C03 | C02 | C06 | 119.8° | 120.0° |
| C05 | C03 | C02 | C01 | 133.4° | 60.0° |
| C05 | C03 | C06 | C11 | 126.0° | 60.0° |
| C05 | C03 | C06 | C07 | 49.5° | 120.0° |
| C05 | C03 | C02 | H13 | 12.5° | 60.1° |
| C05 | C03 | C02 | H14 | 105.6° | 180.0° |
| C05 | C03 | C04 | H15 | 180.0° | 59.9° |
| C05 | C03 | C04 | H16 | 60.0° | 60.0° |
| C05 | C03 | C04 | H17 | 60.0° | 180.0° |
| C03 | C05 | H18 | H19 | 120.0° | 119.9° |
| C03 | C05 | H18 | H20 | 120.0° | 120.0° |
| C03 | C05 | H19 | H20 | 120.0° | 120.0° |
| C03 | C02 | C01 | H13 | 121.0° | 120.0° |
| C03 | C02 | C01 | H14 | 121.0° | 120.0° |
| C02 | C03 | C06 | C11 | 114.8° | 180.0° |
| C02 | C03 | C06 | C07 | 69.7° | 0.0° |
| C03 | C02 | C01 | H10 | 180.0° | 179.9° |
| C03 | C02 | C01 | H11 | 60.0° | 60.1° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | H13 | H14 | 116.9° | 120.0° |
| C02 | C03 | C04 | H15 | 64.6° | 60.0° |
| C02 | C03 | C04 | H16 | 55.4° | 179.9° |
| C02 | C03 | C04 | H17 | 175.3° | 60.0° |
| C02 | C03 | C05 | H18 | 62.0° | 60.1° |
| C02 | C03 | C05 | H19 | 177.9° | 180.0° |
| C02 | C03 | C05 | H20 | 58.0° | 60.0° |
| C06 | C03 | C02 | C01 | 13.6° | 180.0° |
| C03 | C06 | C11 | C07 | 175.2° | 180.0° |
| C03 | C06 | C11 | C10 | 178.9° | 180.0° |
| C03 | C06 | C07 | C08 | 178.5° | 179.8° |
| C06 | C03 | C02 | H13 | 107.3° | 59.9° |
| C06 | C03 | C02 | H14 | 134.6° | 60.0° |
| C06 | C03 | C04 | H15 | 64.5° | 180.0° |
| C06 | C03 | C04 | H16 | 175.5° | 60.1° |
| C06 | C03 | C04 | H17 | 55.6° | 60.0° |
| C06 | C03 | C05 | H18 | 63.9° | 60.0° |
| C06 | C03 | C05 | H19 | 56.1° | 60.0° |
| C06 | C03 | C05 | H20 | 176.1° | 180.0° |
| C03 | C06 | C07 | H21 | 1.5° | 0.0° |
| C03 | C06 | C11 | H23 | 1.2° | 0.0° |
| C02 | C01 | H10 | H11 | 120.0° | 119.9° |
| C02 | C01 | H10 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H12 | 119.9° | 120.0° |
| C01 | C02 | H13 | H14 | 117.0° | 120.0° |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 1.8° | 0.1° |
| C21 | C20 | C19 | C18 | 1.4° | 0.3° |
| C20 | C21 | C22 | H6 | 178.2° | 179.9° |
| C21 | C20 | C19 | H26 | 178.6° | 179.7° |
| C22 | C21 | C20 | C19 | 1.0° | 0.1° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.2° | 0.3° |
| C22 | C21 | C20 | H4 | 179.0° | 179.8° |
| C21 | C22 | C23 | H27 | 179.8° | 179.9° |
| C20 | C19 | C18 | H26 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 3.1° | 0.6° |
| C20 | C19 | C18 | C17 | 179.6° | 180.0° |
| C19 | C20 | C21 | H5 | 179.0° | 179.9° |
| C22 | C23 | C18 | C19 | 2.3° | 0.6° |
| C22 | C23 | C18 | H27 | 180.0° | 179.7° |
| C22 | C23 | C18 | C17 | 178.9° | 180.0° |
| C23 | C22 | C21 | H5 | 178.1° | 179.9° |
| C06 | C11 | C10 | H23 | 180.0° | 179.9° |
| C11 | C06 | C07 | C08 | 3.0° | 0.2° |
| C06 | C11 | C10 | C09 | 1.8° | 0.1° |
| C06 | C11 | C10 | H1 | 178.2° | 179.7° |
| C11 | C06 | C07 | H21 | 177.0° | 180.0° |
| C07 | C06 | C11 | C10 | 3.7° | 0.1° |
| C06 | C07 | C08 | H21 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 0.5° | 0.4° |
| C06 | C07 | C08 | H22 | 179.5° | 180.0° |
| C07 | C06 | C11 | H23 | 176.3° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 0.6° | 0.2° |
| C11 | C10 | C09 | S12 | 179.3° | 179.7° |
| C19 | C18 | C23 | C17 | 176.6° | 179.4° |
| C19 | C18 | C17 | C16 | 112.1° | 90.0° |
| C19 | C18 | C17 | H2 | 128.2° | 30.0° |
| C19 | C18 | C17 | H3 | 7.6° | 150.0° |
| C18 | C19 | C20 | H4 | 178.6° | 180.0° |
| C19 | C18 | C23 | H27 | 177.7° | 179.7° |
| C23 | C18 | C17 | C16 | 64.5° | 90.6° |
| C23 | C18 | C17 | H2 | 55.2° | 149.4° |
| C23 | C18 | C17 | H3 | 175.8° | 29.4° |
| C18 | C23 | C22 | H6 | 179.8° | 179.7° |
| C23 | C18 | C19 | H26 | 176.9° | 179.5° |
| C07 | C08 | C09 | C10 | 1.3° | 0.4° |
| C07 | C08 | C09 | H22 | 180.0° | 179.6° |
| C07 | C08 | C09 | S12 | 180.0° | 179.5° |
| C10 | C09 | C08 | S12 | 178.7° | 179.9° |
| C10 | C09 | S12 | N15 | 108.3° | 89.9° |
| C10 | C09 | S12 | O13 | 16.8° | 156.5° |
| C10 | C09 | S12 | O14 | 135.2° | 23.6° |
| C10 | C09 | C08 | H22 | 178.7° | 180.0° |
| C09 | C10 | C11 | H23 | 178.2° | 180.0° |
| C18 | C17 | C16 | H2 | 119.7° | 120.0° |
| C18 | C17 | C16 | H3 | 119.7° | 120.0° |
| C18 | C17 | C16 | N15 | 68.7° | 65.0° |
| C18 | C17 | C16 | C24 | 170.7° | 175.0° |
| C18 | C17 | H2 | H3 | 120.9° | 120.0° |
| C18 | C17 | C16 | H25 | 51.8° | 55.0° |
| C17 | C18 | C19 | H26 | 0.4° | 0.1° |
| C17 | C18 | C23 | H27 | 1.2° | 0.3° |
| C08 | C09 | S12 | N15 | 70.4° | 90.0° |
| C08 | C09 | S12 | O13 | 164.5° | 23.6° |
| C08 | C09 | S12 | O14 | 46.1° | 156.5° |
| C08 | C09 | C10 | H1 | 179.4° | 180.0° |
| C09 | C08 | C07 | H21 | 179.5° | 179.8° |
| C09 | S12 | N15 | C16 | 105.5° | 65.0° |
| C09 | S12 | N15 | O13 | 119.0° | 113.6° |
| C09 | S12 | N15 | O14 | 123.8° | 113.5° |
| C09 | S12 | O13 | O14 | 124.2° | 122.9° |
| S12 | C09 | C10 | H1 | 0.7° | 0.0° |
| S12 | C09 | C08 | H22 | 0.0° | 0.1° |
| C09 | S12 | N15 | H24 | 132.3° | 115.0° |
| C17 | C16 | N15 | C24 | 119.2° | 120.0° |
| C17 | C16 | N15 | H25 | 120.2° | 120.0° |
| C17 | C16 | C24 | H25 | 118.8° | 120.0° |
| C17 | C16 | N15 | S12 | 130.5° | 95.0° |
| C17 | C16 | C24 | O25 | 63.5° | 60.0° |
| C17 | C16 | C24 | C26 | 177.8° | 180.0° |
| C16 | C17 | H2 | H3 | 120.9° | 120.0° |
| C17 | C16 | C24 | H7 | 60.3° | 60.0° |
| C17 | C16 | N15 | H24 | 107.3° | 85.0° |
| N15 | C16 | C24 | H25 | 120.9° | 120.0° |
| C16 | N15 | S12 | H24 | 122.2° | 180.0° |
| C16 | N15 | S12 | O13 | 13.5° | 48.5° |
| C16 | N15 | S12 | O14 | 130.7° | 178.5° |
| N15 | C16 | C24 | O25 | 56.7° | 60.0° |
| N15 | C16 | C24 | C26 | 61.9° | 60.0° |
| N15 | C16 | C17 | H2 | 171.6° | 55.0° |
| N15 | C16 | C17 | H3 | 51.1° | 175.0° |
| N15 | C16 | C24 | H7 | 179.5° | 180.0° |
| C24 | C16 | N15 | S12 | 110.3° | 145.0° |
| C16 | C24 | O25 | C26 | 118.3° | 120.0° |
| C16 | C24 | O25 | H7 | 123.1° | 120.1° |
| C16 | C24 | C26 | H7 | 118.0° | 120.0° |
| C16 | C24 | C26 | C27 | 179.7° | 175.0° |
| C24 | C16 | C17 | H2 | 51.0° | 65.0° |
| C24 | C16 | C17 | H3 | 69.6° | 55.0° |
| C16 | C24 | C26 | H8 | 61.1° | 65.0° |
| C16 | C24 | C26 | H9 | 60.5° | 55.0° |
| C24 | C16 | N15 | H24 | 11.8° | 35.0° |
| C16 | C24 | O25 | H28 | 180.0° | 59.9° |
| N15 | S12 | O13 | O14 | 115.7° | 123.0° |
| S12 | N15 | C16 | H25 | 10.3° | 25.0° |
| O13 | S12 | N15 | H24 | 108.7° | 131.5° |
| O14 | S12 | N15 | H24 | 8.5° | 1.5° |
| O25 | C24 | C26 | H7 | 119.8° | 120.0° |
| O25 | C24 | C26 | C27 | 58.1° | 65.0° |
| O25 | C24 | C26 | H8 | 61.1° | 55.0° |
| O25 | C24 | C26 | H9 | 177.3° | 175.0° |
| O25 | C24 | C16 | H25 | 177.7° | 180.0° |
| C24 | C26 | C27 | H8 | 119.2° | 120.0° |
| C24 | C26 | C27 | H9 | 119.2° | 120.0° |
| C24 | C26 | C27 | O31 | 66.2° | 90.0° |
| C24 | C26 | C27 | N28 | 107.1° | 90.3° |
| C24 | C26 | H8 | H9 | 122.3° | 120.0° |
| C26 | C24 | C16 | H25 | 59.0° | 60.0° |
| C26 | C24 | O25 | H28 | 61.8° | 60.1° |
| C26 | C27 | O31 | N28 | 174.2° | 179.7° |
| C26 | C27 | O31 | N30 | 177.6° | 179.9° |
| C26 | C27 | N28 | C29 | 177.0° | 179.9° |
| C27 | C26 | C24 | H7 | 61.7° | 55.0° |
| C27 | C26 | H8 | H9 | 122.3° | 120.0° |
| O31 | C27 | N28 | C29 | 3.0° | 0.2° |
| C27 | O31 | N30 | C29 | 2.5° | 0.4° |
| O31 | C27 | C26 | H8 | 174.6° | 150.0° |
| O31 | C27 | C26 | H9 | 53.0° | 30.0° |
| N28 | C27 | O31 | N30 | 3.4° | 0.4° |
| C27 | N28 | C29 | N30 | 1.3° | 0.0° |
| C27 | N28 | C29 | N32 | 176.6° | 180.0° |
| N28 | C27 | C26 | H8 | 12.1° | 29.6° |
| N28 | C27 | C26 | H9 | 133.7° | 149.7° |
| O31 | N30 | C29 | N28 | 0.8° | 0.3° |
| O31 | N30 | C29 | N32 | 178.7° | 179.8° |
| N28 | C29 | N30 | N32 | 177.9° | 180.0° |
| N28 | C29 | N32 | C34 | 5.7° | 0.1° |
| N28 | C29 | N32 | C33 | 177.1° | 180.0° |
| N30 | C29 | N32 | C34 | 171.8° | 180.0° |
| N30 | C29 | N32 | C33 | 5.5° | 0.0° |
| C29 | N32 | C34 | C33 | 177.4° | 179.9° |
| C29 | N32 | C33 | H29 | 180.0° | 90.0° |
| C29 | N32 | C33 | H30 | 60.0° | 149.9° |
| C29 | N32 | C33 | H31 | 60.0° | 30.0° |
| C29 | N32 | C34 | H32 | 180.0° | 90.0° |
| C29 | N32 | C34 | H33 | 60.0° | 150.0° |
| C29 | N32 | C34 | H34 | 60.0° | 30.1° |
| C34 | N32 | C33 | H29 | 2.6° | 90.0° |
| C34 | N32 | C33 | H30 | 117.4° | 30.0° |
| C34 | N32 | C33 | H31 | 122.6° | 149.9° |
| N32 | C34 | H32 | H33 | 120.0° | 120.0° |
| N32 | C34 | H32 | H34 | 120.0° | 120.0° |
| N32 | C34 | H33 | H34 | 119.9° | 119.9° |
| N32 | C33 | H29 | H30 | 120.0° | 120.0° |
| N32 | C33 | H29 | H31 | 120.0° | 120.0° |
| N32 | C33 | H30 | H31 | 120.0° | 120.0° |
| C33 | N32 | C34 | H32 | 2.6° | 90.0° |
| C33 | N32 | C34 | H33 | 122.6° | 30.1° |
| C33 | N32 | C34 | H34 | 117.4° | 150.0° |
| H1 | C10 | C11 | H23 | 1.8° | 0.2° |
| H2 | C17 | C16 | H25 | 67.9° | 175.0° |
| H3 | C17 | C16 | H25 | 171.5° | 65.0° |
| H4 | C20 | C21 | H5 | 1.0° | 0.3° |
| H4 | C20 | C19 | H26 | 1.4° | 0.0° |
| H5 | C21 | C22 | H6 | 1.9° | 0.1° |
| H6 | C22 | C23 | H27 | 0.2° | 0.1° |
| H7 | C24 | C26 | H8 | 179.1° | 175.0° |
| H7 | C24 | C26 | H9 | 57.5° | 65.0° |
| H7 | C24 | C16 | H25 | 58.6° | 60.0° |
| H7 | C24 | O25 | H28 | 56.9° | 180.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.1° |
| H10 | C01 | C02 | H13 | 59.0° | 59.9° |
| H10 | C01 | C02 | H14 | 59.0° | 60.1° |
| H11 | C01 | C02 | H13 | 179.1° | 60.0° |
| H11 | C01 | C02 | H14 | 61.0° | 179.9° |
| H12 | C01 | C02 | H13 | 61.0° | 180.0° |
| H12 | C01 | C02 | H14 | 179.0° | 60.0° |
| H15 | C04 | H16 | H17 | 120.0° | 120.0° |
| H18 | C05 | H19 | H20 | 120.0° | 120.1° |
| H21 | C07 | C08 | H22 | 0.5° | 0.2° |
| H24 | N15 | C16 | H25 | 132.5° | 154.9° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
| H32 | C34 | H33 | H34 | 120.0° | 120.0° |
