QEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C04 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | O05 | sing | 1.45Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| O05 | C06 | sing | 1.35Å | 1.48Å | |
| C06 | O07 | doub | 1.21Å | 1.25Å | |
| C06 | N08 | sing | 1.35Å | 1.46Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.45Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.55Å | |
| C31 | C32 | sing | 1.51Å | 1.56Å | |
| C31 | C09 | sing | 1.53Å | 1.63Å | |
| C36 | C37 | doub | 1.36Å | 1.38Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.33Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.50Å | Aromatic |
| C33 | C38 | sing | 1.42Å | 1.38Å | Aromatic |
| C32 | C41 | sing | 1.36Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.44Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C30 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.41Å | 1.45Å | Aromatic |
| C41 | C40 | doub | 1.39Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C10 | S11 | sing | 1.81Å | 1.92Å | |
| S11 | C12 | sing | 1.81Å | 1.87Å | |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| N23 | C21 | sing | 1.35Å | 1.40Å | |
| C21 | O22 | doub | 1.21Å | 1.26Å | |
| C21 | C13 | sing | 1.51Å | 1.61Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N14 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N14 | C15 | sing | 1.40Å | 1.44Å | |
| C15 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| 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 | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C39 | H33 | sing | 1.08Å | 1.08Å | |
| C40 | H34 | sing | 1.08Å | 1.08Å | |
| C41 | H35 | sing | 1.08Å | 1.08Å | |
| N08 | H36 | sing | 0.97Å | 1.00Å | |
| N14 | H37 | sing | 0.97Å | 1.00Å | |
| N23 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C04 | 105.3° | 109.5° |
| C01 | C02 | O05 | 113.3° | 109.4° |
| C01 | C02 | C03 | 103.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C04 | C02 | O05 | 110.5° | 109.5° |
| C04 | C02 | C03 | 112.1° | 109.5° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.4° |
| C02 | C04 | H9 | 109.5° | 109.5° |
| O05 | C02 | C03 | 111.5° | 109.5° |
| C02 | O05 | C06 | 123.9° | 117.0° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.4° |
| O05 | C06 | O07 | 120.0° | 120.0° |
| O05 | C06 | N08 | 121.9° | 120.0° |
| O07 | C06 | N08 | 118.1° | 120.0° |
| C06 | N08 | C09 | 123.4° | 120.0° |
| C06 | N08 | H36 | 118.3° | 120.0° |
| C29 | C28 | N27 | 119.8° | 120.7° |
| C28 | C29 | C30 | 117.2° | 119.2° |
| C29 | C28 | H24 | 120.1° | 119.6° |
| C28 | C29 | H25 | 121.4° | 120.4° |
| C28 | N27 | C26 | 121.3° | 121.8° |
| N27 | C28 | H24 | 120.1° | 119.6° |
| C29 | C30 | C25 | 122.5° | 118.4° |
| C30 | C29 | H25 | 121.4° | 120.4° |
| C29 | C30 | H26 | 118.7° | 120.8° |
| C34 | C35 | C36 | 120.0° | 120.9° |
| C35 | C34 | C33 | 121.4° | 119.7° |
| C35 | C34 | H29 | 119.3° | 120.1° |
| C34 | C35 | H30 | 120.0° | 119.5° |
| C35 | C36 | C37 | 120.7° | 121.0° |
| C36 | C35 | H30 | 120.0° | 119.5° |
| C35 | C36 | H31 | 119.6° | 119.5° |
| C34 | C33 | C32 | 120.9° | 121.3° |
| C34 | C33 | C38 | 117.2° | 119.3° |
| C33 | C34 | H29 | 119.3° | 120.2° |
| N08 | C09 | C31 | 113.3° | 109.4° |
| N08 | C09 | C10 | 106.0° | 109.4° |
| N08 | C09 | H10 | 108.4° | 109.5° |
| C09 | N08 | H36 | 118.3° | 120.0° |
| C32 | C31 | C09 | 122.4° | 109.4° |
| C31 | C32 | C33 | 124.1° | 120.2° |
| C31 | C32 | C41 | 121.1° | 120.2° |
| C32 | C31 | H27 | 106.2° | 109.5° |
| C32 | C31 | H28 | 106.2° | 109.5° |
| C31 | C09 | C10 | 113.3° | 109.5° |
| C31 | C09 | H10 | 107.5° | 109.5° |
| C09 | C31 | H27 | 106.1° | 109.5° |
| C09 | C31 | H28 | 106.1° | 109.5° |
| C36 | C37 | C38 | 119.3° | 119.7° |
| C37 | C36 | H31 | 119.7° | 119.5° |
| C36 | C37 | H32 | 120.4° | 120.2° |
| N27 | C26 | C25 | 123.1° | 120.7° |
| N27 | C26 | H23 | 118.5° | 119.6° |
| C32 | C33 | C38 | 121.8° | 119.4° |
| C33 | C32 | C41 | 114.7° | 119.6° |
| C33 | C38 | C37 | 121.5° | 119.3° |
| C33 | C38 | C39 | 120.6° | 119.4° |
| C32 | C41 | C40 | 123.8° | 121.0° |
| C32 | C41 | H35 | 118.1° | 119.5° |
| C37 | C38 | C39 | 117.9° | 121.3° |
| C38 | C37 | H32 | 120.4° | 120.1° |
| C09 | C10 | S11 | 122.6° | 109.5° |
| C10 | C09 | H10 | 108.2° | 109.5° |
| C09 | C10 | H11 | 106.1° | 109.4° |
| C09 | C10 | H12 | 106.1° | 109.5° |
| C30 | C25 | C26 | 116.0° | 119.2° |
| C30 | C25 | C24 | 122.7° | 120.4° |
| C25 | C30 | H26 | 118.8° | 120.8° |
| C38 | C39 | C40 | 118.4° | 119.7° |
| C38 | C39 | H33 | 120.8° | 120.1° |
| C41 | C40 | C39 | 120.5° | 121.0° |
| C41 | C40 | H34 | 119.7° | 119.5° |
| C40 | C41 | H35 | 118.1° | 119.5° |
| C26 | C25 | C24 | 121.3° | 120.4° |
| C25 | C26 | H23 | 118.4° | 119.6° |
| C40 | C39 | H33 | 120.8° | 120.2° |
| C39 | C40 | H34 | 119.7° | 119.5° |
| C25 | C24 | N23 | 118.4° | 109.5° |
| C25 | C24 | H21 | 107.2° | 109.5° |
| C25 | C24 | H22 | 107.2° | 109.5° |
| C10 | S11 | C12 | 114.1° | 103.0° |
| S11 | C10 | H11 | 106.1° | 109.5° |
| S11 | C10 | H12 | 106.1° | 109.5° |
| S11 | C12 | C13 | 108.4° | 109.5° |
| S11 | C12 | H13 | 109.7° | 109.5° |
| S11 | C12 | H14 | 109.8° | 109.5° |
| C24 | N23 | C21 | 126.1° | 120.0° |
| N23 | C24 | H21 | 107.2° | 109.4° |
| N23 | C24 | H22 | 107.2° | 109.5° |
| C24 | N23 | H38 | 117.0° | 120.0° |
| N23 | C21 | O22 | 118.1° | 120.0° |
| N23 | C21 | C13 | 123.0° | 120.0° |
| C21 | N23 | H38 | 117.0° | 120.0° |
| O22 | C21 | C13 | 118.8° | 120.0° |
| C21 | C13 | C12 | 113.1° | 109.5° |
| C21 | C13 | N14 | 110.2° | 109.4° |
| C21 | C13 | H15 | 105.8° | 109.5° |
| C12 | C13 | N14 | 113.1° | 109.5° |
| C13 | C12 | H13 | 109.7° | 109.5° |
| C13 | C12 | H14 | 109.7° | 109.5° |
| C12 | C13 | H15 | 106.7° | 109.5° |
| C13 | N14 | C15 | 124.1° | 120.0° |
| N14 | C13 | H15 | 107.5° | 109.5° |
| C13 | N14 | H37 | 105.7° | 120.0° |
| C17 | C16 | C15 | 120.8° | 119.9° |
| C16 | C17 | C18 | 121.0° | 120.1° |
| C17 | C16 | H16 | 119.6° | 120.0° |
| C16 | C17 | H17 | 119.5° | 120.0° |
| C16 | C15 | N14 | 121.2° | 120.1° |
| C16 | C15 | C20 | 117.3° | 119.9° |
| C15 | C16 | H16 | 119.6° | 120.1° |
| C17 | C18 | C19 | 118.8° | 120.1° |
| C18 | C17 | H17 | 119.5° | 119.9° |
| C17 | C18 | H18 | 120.6° | 119.9° |
| N14 | C15 | C20 | 121.5° | 120.1° |
| C15 | N14 | H37 | 105.7° | 120.0° |
| C15 | C20 | C19 | 122.0° | 119.9° |
| C15 | C20 | H20 | 119.0° | 120.1° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C19 | C18 | H18 | 120.6° | 120.0° |
| C18 | C19 | H19 | 120.0° | 119.9° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | H20 | 119.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.5° | 109.4° |
| H27 | C31 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C04 | O05 | 122.7° | 120.0° |
| C01 | C02 | C04 | C03 | 112.2° | 120.0° |
| C01 | C02 | O05 | C03 | 116.7° | 120.0° |
| C01 | C02 | O05 | C06 | 177.6° | 60.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 180.0° | 60.0° |
| C01 | C02 | C03 | H5 | 60.0° | 180.0° |
| C01 | C02 | C03 | H6 | 60.0° | 60.0° |
| C01 | C02 | C04 | H7 | 180.0° | 60.0° |
| C01 | C02 | C04 | H8 | 60.0° | 180.0° |
| C01 | C02 | C04 | H9 | 60.0° | 60.0° |
| C04 | C02 | O05 | C03 | 125.4° | 120.0° |
| C04 | C02 | O05 | C06 | 64.6° | 179.9° |
| C04 | C02 | C01 | H1 | 180.0° | 66.4° |
| C04 | C02 | C01 | H2 | 60.0° | 53.6° |
| C04 | C02 | C01 | H3 | 60.0° | 173.5° |
| C04 | C02 | C03 | H4 | 66.9° | 60.0° |
| C04 | C02 | C03 | H5 | 173.1° | 60.0° |
| C04 | C02 | C03 | H6 | 53.1° | 180.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 31.8° | 1.2° |
| C02 | O05 | C06 | N08 | 148.8° | 178.9° |
| O05 | C02 | C01 | H1 | 59.2° | 53.6° |
| O05 | C02 | C01 | H2 | 60.8° | 173.6° |
| O05 | C02 | C01 | H3 | 179.2° | 66.4° |
| O05 | C02 | C03 | H4 | 57.7° | 180.0° |
| O05 | C02 | C03 | H5 | 62.3° | 60.0° |
| O05 | C02 | C03 | H6 | 177.7° | 60.0° |
| O05 | C02 | C04 | H7 | 57.3° | 60.0° |
| O05 | C02 | C04 | H8 | 177.4° | 60.0° |
| O05 | C02 | C04 | H9 | 62.7° | 180.0° |
| C03 | C02 | O05 | C06 | 60.8° | 59.9° |
| C03 | C02 | C01 | H1 | 62.0° | 173.6° |
| C03 | C02 | C01 | H2 | 178.0° | 66.4° |
| C03 | C02 | C01 | H3 | 58.0° | 53.5° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 67.8° | 180.0° |
| C03 | C02 | C04 | H8 | 52.3° | 60.0° |
| C03 | C02 | C04 | H9 | 172.2° | 60.0° |
| O05 | C06 | O07 | N08 | 179.4° | 179.9° |
| O05 | C06 | N08 | C09 | 144.7° | 175.0° |
| O05 | C06 | N08 | H36 | 35.3° | 5.0° |
| O07 | C06 | N08 | C09 | 34.7° | 5.1° |
| O07 | C06 | N08 | H36 | 145.4° | 174.9° |
| C06 | N08 | C09 | H36 | 180.0° | 180.0° |
| C06 | N08 | C09 | C31 | 85.5° | 61.4° |
| C06 | N08 | C09 | C10 | 149.7° | 58.6° |
| C06 | N08 | C09 | H10 | 33.7° | 178.6° |
| C29 | C28 | N27 | H24 | 180.0° | 179.7° |
| C28 | C29 | C30 | H25 | 180.0° | 179.7° |
| C29 | C28 | N27 | C26 | 1.7° | 0.3° |
| C28 | C29 | C30 | C25 | 1.4° | 0.1° |
| C28 | C29 | C30 | H26 | 178.6° | 179.9° |
| N27 | C28 | C29 | C30 | 1.8° | 0.3° |
| C28 | N27 | C26 | C25 | 1.2° | 0.0° |
| C28 | N27 | C26 | H23 | 178.8° | 180.0° |
| N27 | C28 | C29 | H25 | 178.3° | 180.0° |
| C29 | C30 | C25 | H26 | 180.0° | 179.9° |
| C29 | C30 | C25 | C26 | 0.9° | 0.2° |
| C29 | C30 | C25 | C24 | 179.8° | 179.9° |
| C30 | C29 | C28 | H24 | 178.2° | 180.0° |
| C34 | C35 | C36 | H30 | 180.0° | 179.9° |
| C35 | C34 | C33 | H29 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.5° | 0.0° |
| C35 | C34 | C33 | C32 | 179.8° | 180.0° |
| C35 | C34 | C33 | C38 | 0.3° | 0.0° |
| C34 | C35 | C36 | H31 | 179.5° | 180.0° |
| C36 | C35 | C34 | C33 | 0.8° | 0.0° |
| C35 | C36 | C37 | H31 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.2° | 0.1° |
| C36 | C35 | C34 | H29 | 179.3° | 180.0° |
| C35 | C36 | C37 | H32 | 179.8° | 180.0° |
| C34 | C33 | C32 | C31 | 1.3° | 0.0° |
| C34 | C33 | C32 | C38 | 179.5° | 180.0° |
| C34 | C33 | C32 | C41 | 178.1° | 179.6° |
| C34 | C33 | C38 | C37 | 0.4° | 0.1° |
| C34 | C33 | C38 | C39 | 179.8° | 179.9° |
| C33 | C34 | C35 | H30 | 179.3° | 179.9° |
| N08 | C09 | C31 | C32 | 171.2° | 174.1° |
| N08 | C09 | C31 | C10 | 120.8° | 120.0° |
| N08 | C09 | C31 | H10 | 119.7° | 120.0° |
| N08 | C09 | C10 | H10 | 116.1° | 120.0° |
| N08 | C09 | C10 | S11 | 168.8° | 65.0° |
| N08 | C09 | C10 | H11 | 47.0° | 175.0° |
| N08 | C09 | C10 | H12 | 69.4° | 55.0° |
| N08 | C09 | C31 | H27 | 67.0° | 54.1° |
| N08 | C09 | C31 | H28 | 49.4° | 66.0° |
| C32 | C31 | C09 | H27 | 121.8° | 120.0° |
| C32 | C31 | C09 | H28 | 121.8° | 120.0° |
| C31 | C32 | C33 | C41 | 176.8° | 179.7° |
| C31 | C32 | C33 | C38 | 179.2° | 180.0° |
| C32 | C31 | C09 | C10 | 68.0° | 66.0° |
| C31 | C32 | C41 | C40 | 179.4° | 179.7° |
| C32 | C31 | C09 | H10 | 51.5° | 54.1° |
| C32 | C31 | H27 | H28 | 114.2° | 120.0° |
| C31 | C32 | C41 | H35 | 0.6° | 0.0° |
| C09 | C31 | C32 | C33 | 92.0° | 80.6° |
| C09 | C31 | C32 | C41 | 91.4° | 99.7° |
| C31 | C09 | C10 | H10 | 119.1° | 120.1° |
| C31 | C09 | C10 | S11 | 44.0° | 175.0° |
| C31 | C09 | C10 | H11 | 77.8° | 55.0° |
| C31 | C09 | C10 | H12 | 165.7° | 64.9° |
| C09 | C31 | H27 | H28 | 114.2° | 120.1° |
| C31 | C09 | N08 | H36 | 94.4° | 118.6° |
| C36 | C37 | C38 | C33 | 0.6° | 0.1° |
| C36 | C37 | C38 | H32 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 179.6° | 179.9° |
| C37 | C36 | C35 | H30 | 179.5° | 179.9° |
| N27 | C26 | C25 | C30 | 0.8° | 0.3° |
| N27 | C26 | C25 | H23 | 180.0° | 180.0° |
| N27 | C26 | C25 | C24 | 180.0° | 180.0° |
| C26 | N27 | C28 | H24 | 178.3° | 180.0° |
| C32 | C33 | C38 | C37 | 179.1° | 180.0° |
| C32 | C33 | C38 | C39 | 0.7° | 0.0° |
| C33 | C32 | C41 | C40 | 3.7° | 0.6° |
| C33 | C32 | C31 | H27 | 146.2° | 39.3° |
| C33 | C32 | C31 | H28 | 29.8° | 159.4° |
| C32 | C33 | C34 | H29 | 0.2° | 0.1° |
| C33 | C32 | C41 | H35 | 176.3° | 179.7° |
| C38 | C33 | C32 | C41 | 2.4° | 0.3° |
| C33 | C38 | C37 | C39 | 179.8° | 180.0° |
| C33 | C38 | C39 | C40 | 0.0° | 0.0° |
| C38 | C33 | C34 | H29 | 179.7° | 180.0° |
| C33 | C38 | C37 | H32 | 179.4° | 180.0° |
| C33 | C38 | C39 | H33 | 180.0° | 180.0° |
| C32 | C41 | C40 | H35 | 180.0° | 179.7° |
| C32 | C41 | C40 | C39 | 3.3° | 0.6° |
| C41 | C32 | C31 | H27 | 30.4° | 140.3° |
| C41 | C32 | C31 | H28 | 146.8° | 20.3° |
| C32 | C41 | C40 | H34 | 176.7° | 179.6° |
| C37 | C38 | C39 | C40 | 179.7° | 180.0° |
| C38 | C37 | C36 | H31 | 179.8° | 180.0° |
| C37 | C38 | C39 | H33 | 0.2° | 0.0° |
| C09 | C10 | S11 | H11 | 121.8° | 120.0° |
| C09 | C10 | S11 | H12 | 121.8° | 120.1° |
| C09 | C10 | S11 | C12 | 59.2° | 180.0° |
| C09 | C10 | H11 | H12 | 114.1° | 120.0° |
| C10 | C09 | C31 | H27 | 53.8° | 174.0° |
| C10 | C09 | C31 | H28 | 170.2° | 54.0° |
| C10 | C09 | N08 | H36 | 30.4° | 121.4° |
| C30 | C25 | C26 | C24 | 179.2° | 179.7° |
| C30 | C25 | C24 | N23 | 17.7° | 90.3° |
| C30 | C25 | C24 | H21 | 103.6° | 29.7° |
| C30 | C25 | C24 | H22 | 138.9° | 149.7° |
| C30 | C25 | C26 | H23 | 179.2° | 179.7° |
| C25 | C30 | C29 | H25 | 178.6° | 179.7° |
| C38 | C39 | C40 | C41 | 1.2° | 0.3° |
| C38 | C39 | C40 | H33 | 180.0° | 180.0° |
| C39 | C38 | C37 | H32 | 0.4° | 0.0° |
| C38 | C39 | C40 | H34 | 178.8° | 180.0° |
| C41 | C40 | C39 | H34 | 180.0° | 179.8° |
| C41 | C40 | C39 | H33 | 178.8° | 179.7° |
| C26 | C25 | C24 | N23 | 161.5° | 90.0° |
| C26 | C25 | C24 | H21 | 77.2° | 150.0° |
| C26 | C25 | C24 | H22 | 40.2° | 29.9° |
| C26 | C25 | C30 | H26 | 179.1° | 179.7° |
| C39 | C40 | C41 | H35 | 176.7° | 179.7° |
| C25 | C24 | N23 | H21 | 121.3° | 120.1° |
| C25 | C24 | N23 | H22 | 121.3° | 120.0° |
| C25 | C24 | N23 | C21 | 97.4° | 179.9° |
| C25 | C24 | H21 | H22 | 115.9° | 120.0° |
| C24 | C25 | C26 | H23 | 0.0° | 0.1° |
| C24 | C25 | C30 | H26 | 0.1° | 0.0° |
| C25 | C24 | N23 | H38 | 82.6° | 0.0° |
| C10 | S11 | C12 | C13 | 28.9° | 180.0° |
| S11 | C10 | C09 | H10 | 75.1° | 55.0° |
| S11 | C10 | H11 | H12 | 114.0° | 120.0° |
| C10 | S11 | C12 | H13 | 91.0° | 60.0° |
| C10 | S11 | C12 | H14 | 148.7° | 60.0° |
| S11 | C12 | C13 | C21 | 138.2° | 176.2° |
| S11 | C12 | C13 | H13 | 119.8° | 120.0° |
| S11 | C12 | C13 | H14 | 119.9° | 120.0° |
| S11 | C12 | C13 | N14 | 95.7° | 63.8° |
| C12 | S11 | C10 | H11 | 179.0° | 60.0° |
| C12 | S11 | C10 | H12 | 62.6° | 60.0° |
| S11 | C12 | H13 | H14 | 120.5° | 120.0° |
| S11 | C12 | C13 | H15 | 22.3° | 56.2° |
| C24 | N23 | C21 | H38 | 180.0° | 179.9° |
| C24 | N23 | C21 | O22 | 0.6° | 0.1° |
| C24 | N23 | C21 | C13 | 178.7° | 180.0° |
| N23 | C24 | H21 | H22 | 115.9° | 120.0° |
| N23 | C21 | O22 | C13 | 179.4° | 179.9° |
| N23 | C21 | C13 | C12 | 159.8° | 80.1° |
| N23 | C21 | C13 | N14 | 72.5° | 159.9° |
| N23 | C21 | C13 | H15 | 43.4° | 40.0° |
| C21 | N23 | C24 | H21 | 141.4° | 60.0° |
| C21 | N23 | C24 | H22 | 23.9° | 59.9° |
| O22 | C21 | C13 | C12 | 20.9° | 100.0° |
| O22 | C21 | C13 | N14 | 106.8° | 20.0° |
| O22 | C21 | C13 | H15 | 137.3° | 140.0° |
| O22 | C21 | N23 | H38 | 179.4° | 180.0° |
| C21 | C13 | C12 | N14 | 126.1° | 120.0° |
| C21 | C13 | C12 | H15 | 115.9° | 120.0° |
| C21 | C13 | N14 | H15 | 114.8° | 120.0° |
| C21 | C13 | N14 | C15 | 102.6° | 83.0° |
| C21 | C13 | C12 | H13 | 18.4° | 63.8° |
| C21 | C13 | C12 | H14 | 102.0° | 56.2° |
| C21 | C13 | N14 | H37 | 19.4° | 97.0° |
| C13 | C21 | N23 | H38 | 1.2° | 0.1° |
| C12 | C13 | N14 | H15 | 117.5° | 120.0° |
| C12 | C13 | N14 | C15 | 129.8° | 157.0° |
| C13 | C12 | H13 | H14 | 120.5° | 120.0° |
| C12 | C13 | N14 | H37 | 108.2° | 22.9° |
| C13 | N14 | C15 | C16 | 29.6° | 5.6° |
| C13 | N14 | C15 | H37 | 122.0° | 180.0° |
| C13 | N14 | C15 | C20 | 149.9° | 174.8° |
| N14 | C13 | C12 | H13 | 144.5° | 56.2° |
| N14 | C13 | C12 | H14 | 24.2° | 176.1° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | N14 | 180.0° | 179.8° |
| C17 | C16 | C15 | C20 | 0.4° | 0.1° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | N14 | C20 | 179.5° | 179.7° |
| C16 | C15 | C20 | C19 | 0.5° | 0.1° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | H20 | 179.6° | 179.9° |
| C16 | C15 | N14 | H37 | 151.6° | 174.5° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| N14 | C15 | C20 | C19 | 180.0° | 179.7° |
| C15 | N14 | C13 | H15 | 12.3° | 37.0° |
| N14 | C15 | C16 | H16 | 0.0° | 0.4° |
| N14 | C15 | C20 | H20 | 0.0° | 0.3° |
| C15 | C20 | C19 | C18 | 0.2° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C15 | C16 | H16 | 179.6° | 180.0° |
| C15 | C20 | C19 | H19 | 179.8° | 179.9° |
| C20 | C15 | N14 | H37 | 27.9° | 5.2° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H10 | C09 | C10 | H11 | 163.1° | 65.0° |
| H10 | C09 | C10 | H12 | 46.7° | 175.0° |
| H10 | C09 | C31 | H27 | 173.3° | 65.9° |
| H10 | C09 | C31 | H28 | 70.3° | 174.0° |
| H10 | C09 | N08 | H36 | 146.4° | 1.4° |
| H13 | C12 | C13 | H15 | 97.5° | 176.2° |
| H14 | C12 | C13 | H15 | 142.2° | 63.9° |
| H15 | C13 | N14 | H37 | 134.3° | 142.9° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| H21 | C24 | N23 | H38 | 38.6° | 120.1° |
| H22 | C24 | N23 | H38 | 156.1° | 120.0° |
| H24 | C28 | C29 | H25 | 1.7° | 0.3° |
| H25 | C29 | C30 | H26 | 1.4° | 0.4° |
| H29 | C34 | C35 | H30 | 0.7° | 0.0° |
| H30 | C35 | C36 | H31 | 0.5° | 0.0° |
| H31 | C36 | C37 | H32 | 0.2° | 0.1° |
| H33 | C39 | C40 | H34 | 1.2° | 0.1° |
| H34 | C40 | C41 | H35 | 3.3° | 0.0° |
