1KQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.32Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C08 | sing | 1.48Å | 1.40Å | |
| C06 | N05 | doub | 1.33Å | 1.32Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C16 | N17 | sing | 1.47Å | 1.12Å | |
| C18 | C19 | sing | 1.54Å | 1.43Å | |
| C18 | N17 | sing | 1.48Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.43Å | |
| C19 | C21 | sing | 1.53Å | 1.48Å | |
| C19 | C25 | sing | 1.53Å | 1.48Å | |
| C20 | N17 | sing | 1.48Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N23 | sing | 1.47Å | 1.50Å | |
| C26 | C28 | sing | 1.51Å | 1.55Å | |
| C26 | N23 | sing | 1.35Å | 1.48Å | |
| C26 | O27 | doub | 1.21Å | 1.19Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C29 | C33 | doub | 1.34Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.34Å | 1.32Å | Aromatic |
| C31 | N30 | doub | 1.31Å | 1.34Å | Aromatic |
| C31 | N32 | sing | 1.36Å | 1.31Å | Aromatic |
| C31 | S36 | sing | 1.77Å | 1.74Å | Aromatic |
| C33 | N32 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | C35 | doub | 1.32Å | 1.38Å | Aromatic |
| C34 | N32 | sing | 1.38Å | 1.36Å | Aromatic |
| C35 | C37 | sing | 1.51Å | 1.51Å | |
| C35 | S36 | sing | 1.77Å | 1.72Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.4° | 120.0° |
| C12 | C11 | C16 | 111.5° | 109.7° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | C14 | 108.6° | 109.8° |
| C10 | C11 | C16 | 128.1° | 130.3° |
| C11 | C10 | C09 | 120.1° | 120.4° |
| C11 | C10 | H10 | 119.9° | 119.8° |
| C11 | C16 | C15 | 104.4° | 105.3° |
| C11 | C16 | N17 | 120.8° | 110.3° |
| C11 | C16 | H13 | 108.1° | 110.3° |
| C13 | C12 | C14 | 131.6° | 130.2° |
| C12 | C13 | C08 | 119.3° | 120.1° |
| C12 | C13 | H1 | 120.4° | 120.0° |
| C12 | C14 | C15 | 106.2° | 105.1° |
| C12 | C14 | H2 | 110.3° | 110.3° |
| C12 | C14 | H3 | 110.3° | 110.3° |
| C13 | C08 | C06 | 123.1° | 120.1° |
| C13 | C08 | C09 | 120.1° | 119.7° |
| C08 | C13 | H1 | 120.4° | 120.0° |
| C14 | C15 | C16 | 107.2° | 102.5° |
| C15 | C14 | H2 | 110.3° | 110.3° |
| C15 | C14 | H3 | 110.3° | 110.3° |
| C14 | C15 | H11 | 110.1° | 110.8° |
| C14 | C15 | H12 | 110.0° | 110.8° |
| C01 | C02 | C07 | 120.5° | 120.4° |
| C01 | C02 | N03 | 120.4° | 120.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.4° | 109.5° |
| C07 | C02 | N03 | 119.1° | 119.2° |
| C02 | C07 | C06 | 117.9° | 118.3° |
| C02 | C07 | H8 | 121.0° | 120.9° |
| C02 | N03 | C04 | 121.2° | 121.0° |
| N03 | C04 | N05 | 121.8° | 121.9° |
| N03 | C04 | H7 | 119.1° | 119.1° |
| C04 | N05 | C06 | 120.1° | 120.7° |
| N05 | C04 | H7 | 119.1° | 119.0° |
| C07 | C06 | C08 | 119.7° | 120.6° |
| C07 | C06 | N05 | 119.9° | 118.9° |
| C06 | C07 | H8 | 121.1° | 120.8° |
| C08 | C06 | N05 | 120.2° | 120.6° |
| C06 | C08 | C09 | 116.7° | 120.2° |
| C08 | C09 | C10 | 120.3° | 119.8° |
| C08 | C09 | H9 | 119.8° | 120.1° |
| C10 | C09 | H9 | 119.8° | 120.0° |
| C09 | C10 | H10 | 120.0° | 119.8° |
| C15 | C16 | N17 | 98.2° | 110.0° |
| C16 | C15 | H11 | 110.0° | 110.6° |
| C16 | C15 | H12 | 110.0° | 110.9° |
| C15 | C16 | H13 | 108.2° | 110.5° |
| C16 | N17 | C18 | 117.8° | 111.0° |
| C16 | N17 | C20 | 113.1° | 111.0° |
| N17 | C16 | H13 | 115.3° | 110.3° |
| C19 | C18 | N17 | 89.5° | 86.1° |
| C18 | C19 | C20 | 86.6° | 86.7° |
| C18 | C19 | C21 | 132.6° | 113.5° |
| C18 | C19 | C25 | 114.7° | 113.6° |
| C19 | C18 | H14 | 114.2° | 113.8° |
| C19 | C18 | H15 | 114.2° | 113.7° |
| C18 | N17 | C20 | 86.4° | 90.8° |
| N17 | C18 | H14 | 114.2° | 113.8° |
| N17 | C18 | H15 | 114.2° | 113.8° |
| C20 | C19 | C21 | 101.5° | 113.6° |
| C20 | C19 | C25 | 106.2° | 113.6° |
| C19 | C20 | N17 | 89.1° | 86.1° |
| C19 | C20 | H16 | 114.3° | 113.8° |
| C19 | C20 | H17 | 114.3° | 113.8° |
| C21 | C19 | C25 | 107.6° | 113.2° |
| C19 | C21 | C22 | 113.5° | 109.1° |
| C19 | C21 | H18 | 108.5° | 109.6° |
| C19 | C21 | H19 | 108.4° | 109.5° |
| C19 | C25 | C24 | 109.8° | 109.2° |
| C19 | C25 | H24 | 109.4° | 109.5° |
| C19 | C25 | H25 | 109.4° | 109.5° |
| N17 | C20 | H16 | 114.3° | 113.8° |
| N17 | C20 | H17 | 114.3° | 113.8° |
| C21 | C22 | N23 | 114.1° | 108.8° |
| C22 | C21 | H18 | 108.4° | 109.5° |
| C22 | C21 | H19 | 108.5° | 109.5° |
| C21 | C22 | H20 | 108.3° | 109.6° |
| C21 | C22 | H21 | 108.3° | 109.6° |
| C22 | N23 | C24 | 111.6° | 119.0° |
| C22 | N23 | C26 | 125.1° | 120.5° |
| N23 | C22 | H20 | 108.3° | 109.6° |
| N23 | C22 | H21 | 108.3° | 109.6° |
| C25 | C24 | N23 | 113.5° | 108.8° |
| C25 | C24 | H22 | 108.5° | 109.5° |
| C25 | C24 | H23 | 108.4° | 109.6° |
| C24 | C25 | H24 | 109.4° | 109.6° |
| C24 | C25 | H25 | 109.4° | 109.5° |
| C24 | N23 | C26 | 123.3° | 120.5° |
| N23 | C24 | H22 | 108.5° | 109.6° |
| N23 | C24 | H23 | 108.5° | 109.6° |
| C28 | C26 | N23 | 120.1° | 120.0° |
| C28 | C26 | O27 | 118.5° | 120.0° |
| C26 | C28 | C29 | 109.5° | 109.5° |
| C26 | C28 | H26 | 109.5° | 109.4° |
| C26 | C28 | H27 | 109.5° | 109.5° |
| N23 | C26 | O27 | 121.4° | 120.0° |
| C28 | C29 | C33 | 127.9° | 125.8° |
| C28 | C29 | N30 | 125.3° | 125.8° |
| C29 | C28 | H26 | 109.5° | 109.5° |
| C29 | C28 | H27 | 109.5° | 109.5° |
| C33 | C29 | N30 | 106.8° | 108.4° |
| C29 | C33 | N32 | 107.8° | 107.4° |
| C29 | C33 | H28 | 126.1° | 126.3° |
| C29 | N30 | C31 | 108.1° | 109.0° |
| N30 | C31 | N32 | 111.0° | 109.5° |
| N30 | C31 | S36 | 142.1° | 144.6° |
| N32 | C31 | S36 | 106.9° | 105.9° |
| C31 | N32 | C33 | 106.4° | 105.6° |
| C31 | N32 | C34 | 117.8° | 115.5° |
| C31 | S36 | C35 | 94.5° | 94.4° |
| C33 | N32 | C34 | 135.8° | 138.9° |
| N32 | C33 | H28 | 126.1° | 126.3° |
| C35 | C34 | N32 | 113.9° | 118.7° |
| C34 | C35 | C37 | 131.4° | 127.2° |
| C34 | C35 | S36 | 106.9° | 105.6° |
| C35 | C34 | H29 | 123.1° | 120.6° |
| N32 | C34 | H29 | 123.0° | 120.7° |
| C37 | C35 | S36 | 121.8° | 127.2° |
| C35 | C37 | H30 | 109.5° | 109.5° |
| C35 | C37 | H31 | 109.4° | 109.5° |
| C35 | C37 | H32 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.4° | 110.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 110.9° |
| H14 | C18 | H15 | 109.5° | 113.0° |
| H16 | C20 | H17 | 109.5° | 113.0° |
| H18 | C21 | H19 | 109.5° | 109.6° |
| H20 | C22 | H21 | 109.5° | 109.7° |
| H22 | C24 | H23 | 109.5° | 109.8° |
| H24 | C25 | H25 | 109.5° | 109.6° |
| H26 | C28 | H27 | 109.4° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.4° |
| H30 | C37 | H32 | 109.5° | 109.4° |
| H31 | C37 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | C16 | 176.4° | 179.7° |
| C11 | C12 | C13 | C14 | 179.3° | 179.9° |
| C11 | C12 | C13 | C08 | 0.4° | 0.1° |
| C11 | C12 | C14 | C15 | 7.1° | 17.2° |
| C12 | C11 | C10 | C09 | 0.8° | 0.0° |
| C12 | C11 | C16 | C15 | 10.7° | 16.8° |
| C12 | C11 | C16 | N17 | 98.3° | 101.8° |
| C11 | C12 | C13 | H1 | 179.6° | 180.0° |
| C11 | C12 | C14 | H2 | 126.6° | 136.2° |
| C11 | C12 | C14 | H3 | 112.4° | 101.6° |
| C12 | C11 | C10 | H10 | 179.2° | 180.0° |
| C12 | C11 | C16 | H13 | 125.7° | 136.1° |
| C10 | C11 | C12 | C13 | 1.3° | 0.1° |
| C10 | C11 | C12 | C14 | 179.3° | 180.0° |
| C11 | C10 | C09 | C08 | 0.5° | 0.0° |
| C11 | C10 | C09 | H10 | 180.0° | 180.0° |
| C10 | C11 | C16 | C15 | 172.7° | 162.8° |
| C10 | C11 | C16 | N17 | 78.3° | 78.6° |
| C11 | C10 | C09 | H9 | 179.5° | 179.9° |
| C10 | C11 | C16 | H13 | 57.6° | 43.6° |
| C16 | C11 | C12 | C13 | 178.2° | 179.8° |
| C16 | C11 | C12 | C14 | 2.3° | 0.3° |
| C11 | C16 | C15 | C14 | 14.6° | 26.1° |
| C16 | C11 | C10 | C09 | 177.2° | 179.7° |
| C11 | C16 | C15 | N17 | 124.9° | 118.8° |
| C11 | C16 | C15 | H13 | 114.9° | 119.1° |
| C11 | C16 | N17 | H13 | 133.0° | 122.1° |
| C11 | C16 | N17 | C18 | 172.4° | 71.4° |
| C11 | C16 | N17 | C20 | 73.9° | 28.0° |
| C16 | C11 | C10 | H10 | 2.8° | 0.4° |
| C11 | C16 | C15 | H11 | 105.1° | 92.1° |
| C11 | C16 | C15 | H12 | 134.2° | 144.4° |
| C12 | C13 | C08 | H1 | 180.0° | 179.9° |
| C13 | C12 | C14 | C15 | 172.3° | 162.8° |
| C12 | C13 | C08 | C06 | 177.5° | 180.0° |
| C12 | C13 | C08 | C09 | 1.0° | 0.1° |
| C13 | C12 | C14 | H2 | 52.8° | 43.9° |
| C13 | C12 | C14 | H3 | 68.2° | 78.3° |
| C14 | C12 | C13 | C08 | 179.7° | 180.0° |
| C12 | C14 | C15 | H2 | 119.5° | 118.9° |
| C12 | C14 | C15 | H3 | 119.5° | 118.9° |
| C12 | C14 | C15 | C16 | 13.6° | 26.2° |
| C14 | C12 | C13 | H1 | 0.3° | 0.1° |
| C12 | C14 | H2 | H3 | 121.5° | 122.2° |
| C12 | C14 | C15 | H11 | 106.1° | 91.9° |
| C12 | C14 | C15 | H12 | 133.2° | 144.6° |
| C13 | C08 | C06 | C07 | 26.9° | 180.0° |
| C13 | C08 | C06 | C09 | 176.6° | 180.0° |
| C13 | C08 | C06 | N05 | 158.3° | 0.1° |
| C13 | C08 | C09 | C10 | 1.4° | 0.0° |
| C13 | C08 | C09 | H9 | 178.5° | 179.9° |
| C14 | C15 | C16 | H11 | 119.7° | 118.2° |
| C14 | C15 | C16 | H12 | 119.6° | 118.3° |
| C14 | C15 | C16 | N17 | 110.3° | 92.8° |
| C15 | C14 | H2 | H3 | 121.5° | 122.1° |
| C14 | C15 | H11 | H12 | 121.0° | 123.5° |
| C14 | C15 | C16 | H13 | 129.5° | 145.2° |
| C01 | C02 | C07 | N03 | 180.0° | 179.8° |
| C01 | C02 | N03 | C04 | 179.8° | 179.9° |
| C01 | C02 | C07 | C06 | 178.7° | 180.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C07 | H8 | 1.3° | 0.0° |
| C07 | C02 | N03 | C04 | 0.2° | 0.3° |
| C02 | C07 | C06 | H8 | 180.0° | 180.0° |
| C02 | C07 | C06 | C08 | 178.0° | 180.0° |
| C02 | C07 | C06 | N05 | 3.2° | 0.0° |
| C07 | C02 | C01 | H4 | 180.0° | 90.0° |
| C07 | C02 | C01 | H5 | 60.0° | 150.0° |
| C07 | C02 | C01 | H6 | 60.0° | 30.0° |
| C02 | N03 | C04 | N05 | 0.0° | 0.0° |
| N03 | C02 | C07 | C06 | 1.3° | 0.3° |
| N03 | C02 | C01 | H4 | 0.0° | 90.3° |
| N03 | C02 | C01 | H5 | 120.0° | 29.8° |
| N03 | C02 | C01 | H6 | 120.0° | 149.7° |
| C02 | N03 | C04 | H7 | 180.0° | 180.0° |
| N03 | C02 | C07 | H8 | 178.7° | 179.8° |
| N03 | C04 | N05 | H7 | 180.0° | 179.9° |
| N03 | C04 | N05 | C06 | 1.9° | 0.2° |
| C04 | N05 | C06 | C07 | 3.4° | 0.3° |
| C04 | N05 | C06 | C08 | 178.3° | 179.7° |
| C07 | C06 | C08 | N05 | 174.9° | 180.0° |
| C07 | C06 | C08 | C09 | 149.7° | 0.0° |
| C06 | C08 | C09 | C10 | 178.1° | 180.0° |
| C06 | C08 | C13 | H1 | 2.5° | 0.1° |
| C08 | C06 | C07 | H8 | 2.0° | 0.1° |
| C06 | C08 | C09 | H9 | 1.8° | 0.0° |
| N05 | C06 | C08 | C09 | 25.1° | 180.0° |
| C06 | N05 | C04 | H7 | 178.1° | 179.7° |
| N05 | C06 | C07 | H8 | 176.9° | 180.0° |
| C08 | C09 | C10 | H9 | 180.0° | 180.0° |
| C09 | C08 | C13 | H1 | 179.0° | 180.0° |
| C08 | C09 | C10 | H10 | 179.5° | 180.0° |
| C15 | C16 | N17 | H13 | 114.7° | 122.2° |
| C15 | C16 | N17 | C18 | 75.3° | 172.9° |
| C15 | C16 | N17 | C20 | 173.8° | 87.7° |
| C16 | C15 | C14 | H2 | 133.1° | 145.1° |
| C16 | C15 | C14 | H3 | 105.9° | 92.7° |
| C16 | C15 | H11 | H12 | 121.0° | 123.5° |
| C16 | N17 | C18 | C19 | 135.9° | 137.3° |
| C16 | N17 | C18 | C20 | 114.3° | 112.9° |
| C16 | N17 | C20 | C19 | 140.4° | 137.3° |
| N17 | C16 | C15 | H11 | 130.0° | 149.1° |
| N17 | C16 | C15 | H12 | 9.3° | 25.6° |
| C16 | N17 | C18 | H14 | 107.6° | 108.4° |
| C16 | N17 | C18 | H15 | 19.4° | 23.0° |
| C16 | N17 | C20 | H16 | 24.1° | 23.0° |
| C16 | N17 | C20 | H17 | 103.2° | 108.4° |
| C19 | C18 | N17 | H14 | 116.5° | 114.3° |
| C19 | C18 | N17 | H15 | 116.5° | 114.3° |
| C18 | C19 | C20 | C21 | 132.9° | 114.3° |
| C18 | C19 | C20 | C25 | 114.8° | 114.3° |
| C18 | C19 | C21 | C25 | 152.6° | 131.4° |
| C19 | C18 | N17 | C20 | 21.6° | 24.4° |
| C18 | C19 | C21 | C22 | 93.7° | 171.1° |
| C18 | C19 | C25 | C24 | 95.2° | 171.2° |
| C19 | C18 | H14 | H15 | 129.5° | 131.7° |
| C18 | C19 | C20 | H16 | 94.8° | 90.9° |
| C18 | C19 | C20 | H17 | 138.0° | 137.8° |
| C18 | C19 | C21 | H18 | 26.9° | 69.0° |
| C18 | C19 | C21 | H19 | 145.7° | 51.2° |
| C18 | C19 | C25 | H24 | 144.8° | 51.2° |
| C18 | C19 | C25 | H25 | 24.9° | 69.0° |
| N17 | C18 | C19 | C21 | 80.8° | 90.9° |
| N17 | C18 | C19 | C25 | 128.1° | 137.9° |
| C18 | N17 | C16 | H13 | 39.4° | 50.7° |
| N17 | C18 | H14 | H15 | 129.5° | 131.8° |
| C18 | N17 | C20 | H16 | 94.7° | 89.9° |
| C18 | N17 | C20 | H17 | 138.0° | 138.7° |
| C20 | C19 | C21 | C25 | 111.3° | 131.6° |
| C19 | C20 | N17 | H16 | 116.4° | 114.3° |
| C19 | C20 | N17 | H17 | 116.4° | 114.3° |
| C20 | C19 | C21 | C22 | 170.2° | 74.1° |
| C20 | C19 | C25 | C24 | 171.0° | 74.1° |
| C20 | C19 | C18 | H14 | 138.3° | 137.8° |
| C20 | C19 | C18 | H15 | 94.7° | 90.9° |
| C19 | C20 | H16 | H17 | 129.7° | 131.7° |
| C20 | C19 | C21 | H18 | 69.2° | 166.0° |
| C20 | C19 | C21 | H19 | 49.6° | 45.8° |
| C20 | C19 | C25 | H24 | 51.0° | 45.8° |
| C20 | C19 | C25 | H25 | 68.9° | 166.0° |
| C21 | C19 | C20 | N17 | 111.3° | 90.8° |
| C19 | C21 | C22 | H18 | 120.6° | 119.9° |
| C19 | C21 | C22 | H19 | 120.6° | 119.9° |
| C19 | C21 | C22 | N23 | 49.1° | 52.4° |
| C21 | C19 | C25 | C24 | 62.9° | 57.4° |
| C21 | C19 | C18 | H14 | 35.7° | 23.4° |
| C21 | C19 | C18 | H15 | 162.7° | 154.8° |
| C21 | C19 | C20 | H16 | 132.3° | 154.9° |
| C21 | C19 | C20 | H17 | 5.1° | 23.5° |
| C19 | C21 | H18 | H19 | 118.1° | 120.2° |
| C19 | C21 | C22 | H20 | 71.6° | 172.2° |
| C19 | C21 | C22 | H21 | 169.8° | 67.4° |
| C21 | C19 | C25 | H24 | 57.1° | 177.4° |
| C21 | C19 | C25 | H25 | 177.0° | 62.4° |
| C25 | C19 | C20 | N17 | 136.3° | 137.8° |
| C25 | C19 | C21 | C22 | 58.9° | 57.4° |
| C19 | C25 | C24 | H24 | 120.0° | 120.0° |
| C19 | C25 | C24 | H25 | 120.1° | 119.9° |
| C19 | C25 | C24 | N23 | 59.3° | 52.3° |
| C25 | C19 | C18 | H14 | 115.5° | 107.8° |
| C25 | C19 | C18 | H15 | 11.6° | 23.5° |
| C25 | C19 | C20 | H16 | 19.9° | 23.5° |
| C25 | C19 | C20 | H17 | 107.3° | 107.9° |
| C25 | C19 | C21 | H18 | 179.5° | 62.4° |
| C25 | C19 | C21 | H19 | 61.7° | 177.3° |
| C19 | C25 | C24 | H22 | 179.9° | 67.4° |
| C19 | C25 | C24 | H23 | 61.3° | 172.2° |
| C19 | C25 | H24 | H25 | 119.9° | 120.2° |
| C20 | N17 | C16 | H13 | 59.1° | 150.1° |
| C20 | N17 | C18 | H14 | 138.1° | 138.7° |
| C20 | N17 | C18 | H15 | 94.8° | 89.9° |
| N17 | C20 | H16 | H17 | 129.7° | 131.8° |
| C21 | C22 | N23 | H20 | 120.7° | 119.7° |
| C21 | C22 | N23 | H21 | 120.7° | 119.8° |
| C21 | C22 | N23 | C24 | 41.5° | 55.6° |
| C21 | C22 | N23 | C26 | 139.4° | 124.4° |
| C22 | C21 | H18 | H19 | 118.2° | 120.1° |
| C21 | C22 | H20 | H21 | 117.9° | 120.4° |
| C22 | N23 | C24 | C25 | 47.1° | 55.6° |
| C22 | N23 | C24 | C26 | 179.1° | 180.0° |
| C22 | N23 | C26 | C28 | 179.7° | 180.0° |
| C22 | N23 | C26 | O27 | 0.8° | 0.0° |
| N23 | C22 | C21 | H18 | 169.7° | 67.5° |
| N23 | C22 | C21 | H19 | 71.5° | 172.3° |
| N23 | C22 | H20 | H21 | 117.9° | 120.4° |
| C22 | N23 | C24 | H22 | 167.8° | 64.1° |
| C22 | N23 | C24 | H23 | 73.4° | 175.4° |
| C25 | C24 | N23 | H22 | 120.6° | 119.7° |
| C25 | C24 | N23 | H23 | 120.6° | 119.8° |
| C25 | C24 | N23 | C26 | 133.8° | 124.4° |
| C25 | C24 | H22 | H23 | 118.2° | 120.3° |
| C24 | C25 | H24 | H25 | 119.8° | 120.1° |
| C24 | N23 | C26 | C28 | 0.8° | 0.0° |
| C24 | N23 | C26 | O27 | 179.7° | 180.0° |
| C24 | N23 | C22 | H20 | 79.2° | 175.4° |
| C24 | N23 | C22 | H21 | 162.2° | 64.2° |
| N23 | C24 | H22 | H23 | 118.2° | 120.4° |
| N23 | C24 | C25 | H24 | 60.7° | 172.3° |
| N23 | C24 | C25 | H25 | 179.4° | 67.5° |
| C28 | C26 | N23 | O27 | 179.5° | 180.0° |
| C26 | C28 | C29 | H26 | 120.0° | 120.0° |
| C26 | C28 | C29 | H27 | 120.0° | 120.0° |
| C26 | C28 | C29 | C33 | 114.3° | 125.0° |
| C26 | C28 | C29 | N30 | 64.6° | 55.3° |
| C26 | C28 | H26 | H27 | 120.0° | 120.0° |
| N23 | C26 | C28 | C29 | 90.0° | 180.0° |
| C26 | N23 | C22 | H20 | 99.9° | 4.6° |
| C26 | N23 | C22 | H21 | 18.7° | 115.8° |
| C26 | N23 | C24 | H22 | 13.2° | 115.9° |
| C26 | N23 | C24 | H23 | 105.6° | 4.6° |
| N23 | C26 | C28 | H26 | 150.0° | 60.0° |
| N23 | C26 | C28 | H27 | 30.0° | 60.0° |
| O27 | C26 | C28 | C29 | 90.5° | 0.0° |
| O27 | C26 | C28 | H26 | 29.5° | 120.0° |
| O27 | C26 | C28 | H27 | 149.5° | 120.0° |
| C28 | C29 | C33 | N30 | 179.1° | 179.8° |
| C28 | C29 | N30 | C31 | 179.5° | 180.0° |
| C28 | C29 | C33 | N32 | 179.5° | 180.0° |
| C29 | C28 | H26 | H27 | 120.0° | 120.0° |
| C28 | C29 | C33 | H28 | 0.5° | 0.0° |
| C33 | C29 | N30 | C31 | 0.4° | 0.2° |
| C29 | C33 | N32 | C31 | 0.3° | 0.1° |
| C29 | C33 | N32 | H28 | 180.0° | 180.0° |
| C29 | C33 | N32 | C34 | 179.8° | 179.8° |
| C33 | C29 | C28 | H26 | 125.7° | 5.0° |
| C33 | C29 | C28 | H27 | 5.7° | 115.0° |
| C29 | N30 | C31 | N32 | 0.2° | 0.1° |
| C29 | N30 | C31 | S36 | 179.8° | 180.0° |
| N30 | C29 | C33 | N32 | 0.5° | 0.2° |
| N30 | C29 | C28 | H26 | 55.4° | 175.3° |
| N30 | C29 | C28 | H27 | 175.4° | 64.7° |
| N30 | C29 | C33 | H28 | 179.5° | 179.8° |
| N30 | C31 | N32 | S36 | 179.7° | 179.9° |
| N30 | C31 | N32 | C33 | 0.1° | 0.0° |
| N30 | C31 | N32 | C34 | 179.7° | 180.0° |
| N30 | C31 | S36 | C35 | 179.3° | 180.0° |
| C31 | N32 | C33 | C34 | 179.5° | 180.0° |
| C31 | N32 | C34 | C35 | 0.2° | 0.0° |
| N32 | C31 | S36 | C35 | 0.3° | 0.1° |
| C31 | N32 | C33 | H28 | 179.7° | 179.8° |
| C31 | N32 | C34 | H29 | 179.8° | 179.9° |
| S36 | C31 | N32 | C33 | 179.7° | 179.9° |
| C31 | S36 | C35 | C34 | 0.4° | 0.1° |
| S36 | C31 | N32 | C34 | 0.1° | 0.1° |
| C31 | S36 | C35 | C37 | 179.6° | 180.0° |
| C33 | N32 | C34 | C35 | 179.2° | 180.0° |
| C33 | N32 | C34 | H29 | 0.8° | 0.1° |
| C35 | C34 | N32 | H29 | 180.0° | 179.9° |
| C34 | C35 | C37 | S36 | 179.1° | 179.9° |
| C34 | C35 | C37 | H30 | 179.1° | 90.0° |
| C34 | C35 | C37 | H31 | 59.1° | 150.0° |
| C34 | C35 | C37 | H32 | 60.9° | 30.0° |
| N32 | C34 | C35 | C37 | 179.6° | 180.0° |
| N32 | C34 | C35 | S36 | 0.4° | 0.1° |
| C34 | N32 | C33 | H28 | 0.2° | 0.2° |
| C37 | C35 | C34 | H29 | 0.4° | 0.1° |
| C35 | C37 | H30 | H31 | 120.0° | 120.0° |
| C35 | C37 | H30 | H32 | 120.0° | 120.0° |
| C35 | C37 | H31 | H32 | 120.0° | 120.1° |
| S36 | C35 | C34 | H29 | 179.6° | 180.0° |
| S36 | C35 | C37 | H30 | 0.0° | 89.9° |
| S36 | C35 | C37 | H31 | 120.0° | 30.1° |
| S36 | C35 | C37 | H32 | 120.0° | 150.1° |
| H2 | C14 | C15 | H11 | 13.4° | 27.1° |
| H2 | C14 | C15 | H12 | 107.3° | 96.4° |
| H3 | C14 | C15 | H11 | 134.4° | 149.2° |
| H3 | C14 | C15 | H12 | 13.7° | 25.7° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H9 | C09 | C10 | H10 | 0.5° | 0.0° |
| H11 | C15 | C16 | H13 | 9.9° | 27.0° |
| H12 | C15 | C16 | H13 | 110.8° | 96.5° |
| H18 | C21 | C22 | H20 | 49.0° | 52.2° |
| H18 | C21 | C22 | H21 | 69.6° | 172.7° |
| H19 | C21 | C22 | H20 | 167.8° | 67.9° |
| H19 | C21 | C22 | H21 | 49.2° | 52.5° |
| H22 | C24 | C25 | H24 | 59.9° | 52.6° |
| H22 | C24 | C25 | H25 | 60.0° | 172.7° |
| H23 | C24 | C25 | H24 | 178.7° | 67.9° |
| H23 | C24 | C25 | H25 | 58.8° | 52.3° |
| H30 | C37 | H31 | H32 | 120.0° | 119.9° |
