Y83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | sing | 1.37Å | 1.41Å | Aromatic |
| N34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.34Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.36Å | Aromatic |
| C35 | C40 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.45Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | C36 | sing | 1.46Å | 1.47Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| N27 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C09 | sing | 1.53Å | 1.60Å | |
| C39 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.48Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.37Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| N08 | C06 | sing | 1.35Å | 1.44Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C10 | S11 | sing | 1.81Å | 1.86Å | |
| C04 | C02 | sing | 1.53Å | 1.58Å | |
| O05 | C02 | sing | 1.45Å | 1.47Å | |
| O05 | C06 | sing | 1.35Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C06 | O07 | doub | 1.22Å | 1.24Å | |
| C24 | N23 | sing | 1.46Å | 1.48Å | |
| N23 | C21 | sing | 1.35Å | 1.41Å | |
| C12 | S11 | sing | 1.81Å | 1.85Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| N14 | C13 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.40Å | 1.44Å | |
| C21 | C13 | sing | 1.51Å | 1.58Å | |
| C21 | O22 | doub | 1.21Å | 1.24Å | |
| C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | 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 | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| N08 | H34 | sing | 0.97Å | 1.00Å | |
| N14 | H35 | sing | 0.97Å | 1.00Å | |
| N23 | H36 | sing | 0.97Å | 1.00Å | |
| N34 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N34 | C35 | 110.3° | 109.9° |
| N34 | C33 | C32 | 108.9° | 109.9° |
| N34 | C33 | H29 | 125.5° | 125.0° |
| C33 | N34 | H37 | 124.9° | 125.1° |
| N34 | C35 | C40 | 131.8° | 133.5° |
| N34 | C35 | C36 | 106.8° | 107.2° |
| C35 | N34 | H37 | 124.9° | 125.0° |
| C33 | C32 | C36 | 107.3° | 107.0° |
| C33 | C32 | C31 | 124.0° | 126.4° |
| C32 | C33 | H29 | 125.6° | 125.1° |
| C29 | C28 | N27 | 121.1° | 120.8° |
| C28 | C29 | C30 | 118.9° | 119.2° |
| C29 | C28 | H24 | 119.5° | 119.6° |
| C28 | C29 | H25 | 120.5° | 120.4° |
| C28 | N27 | C26 | 119.0° | 121.7° |
| N27 | C28 | H24 | 119.5° | 119.6° |
| C40 | C35 | C36 | 121.4° | 119.3° |
| C35 | C40 | C39 | 120.6° | 119.8° |
| C35 | C40 | H33 | 119.7° | 120.1° |
| C35 | C36 | C32 | 106.7° | 106.0° |
| C35 | C36 | C37 | 115.7° | 120.0° |
| C40 | C39 | C38 | 119.3° | 120.7° |
| C40 | C39 | H32 | 120.3° | 119.6° |
| C39 | C40 | H33 | 119.7° | 120.1° |
| C29 | C30 | C25 | 120.7° | 118.4° |
| C30 | C29 | H25 | 120.5° | 120.4° |
| C29 | C30 | H26 | 119.6° | 120.8° |
| C36 | C32 | C31 | 128.6° | 126.5° |
| C32 | C36 | C37 | 137.6° | 134.0° |
| C32 | C31 | C09 | 117.2° | 109.5° |
| C32 | C31 | H27 | 107.5° | 109.5° |
| C32 | C31 | H28 | 107.5° | 109.5° |
| N27 | C26 | C25 | 124.7° | 120.8° |
| N27 | C26 | H23 | 117.6° | 119.6° |
| C36 | C37 | C38 | 123.3° | 119.8° |
| C36 | C37 | H30 | 118.3° | 120.1° |
| C31 | C09 | N08 | 112.1° | 109.5° |
| C31 | C09 | C10 | 108.2° | 109.5° |
| C31 | C09 | H10 | 107.4° | 109.5° |
| C09 | C31 | H27 | 107.5° | 109.5° |
| C09 | C31 | H28 | 107.5° | 109.5° |
| C39 | C38 | C37 | 119.7° | 120.5° |
| C39 | C38 | H31 | 120.1° | 119.7° |
| C38 | C39 | H32 | 120.4° | 119.7° |
| C30 | C25 | C26 | 115.5° | 119.2° |
| C30 | C25 | C24 | 123.0° | 120.4° |
| C25 | C30 | H26 | 119.6° | 120.8° |
| N08 | C09 | C10 | 112.3° | 109.4° |
| C09 | N08 | C06 | 122.7° | 120.0° |
| N08 | C09 | H10 | 108.9° | 109.5° |
| C09 | N08 | H34 | 118.6° | 120.0° |
| C09 | C10 | S11 | 115.4° | 109.4° |
| C10 | C09 | H10 | 107.8° | 109.5° |
| C09 | C10 | H11 | 108.0° | 109.4° |
| C09 | C10 | H12 | 108.0° | 109.5° |
| C26 | C25 | C24 | 121.4° | 120.5° |
| C25 | C26 | H23 | 117.6° | 119.6° |
| C38 | C37 | H30 | 118.3° | 120.1° |
| C37 | C38 | H31 | 120.2° | 119.7° |
| C01 | C02 | C04 | 107.2° | 109.5° |
| C01 | C02 | O05 | 110.7° | 109.5° |
| C01 | C02 | C03 | 111.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| N08 | C06 | O05 | 118.1° | 120.0° |
| N08 | C06 | O07 | 120.5° | 120.0° |
| C06 | N08 | H34 | 118.6° | 120.0° |
| C25 | C24 | N23 | 114.1° | 109.5° |
| C25 | C24 | H21 | 108.3° | 109.5° |
| C25 | C24 | H22 | 108.3° | 109.5° |
| C10 | S11 | C12 | 112.3° | 103.0° |
| S11 | C10 | H11 | 108.0° | 109.5° |
| S11 | C10 | H12 | 108.0° | 109.5° |
| C04 | C02 | O05 | 109.8° | 109.5° |
| C04 | C02 | C03 | 108.3° | 109.4° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.4° | 109.5° |
| C02 | O05 | C06 | 117.9° | 117.0° |
| O05 | C02 | C03 | 109.6° | 109.5° |
| O05 | C06 | O07 | 119.0° | 120.0° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.4° |
| C24 | N23 | C21 | 122.4° | 120.0° |
| N23 | C24 | H21 | 108.3° | 109.5° |
| N23 | C24 | H22 | 108.3° | 109.5° |
| C24 | N23 | H36 | 118.8° | 120.0° |
| N23 | C21 | C13 | 120.1° | 120.0° |
| N23 | C21 | O22 | 118.7° | 120.0° |
| C21 | N23 | H36 | 118.8° | 120.0° |
| S11 | C12 | C13 | 113.2° | 109.5° |
| S11 | C12 | H13 | 108.5° | 109.4° |
| S11 | C12 | H14 | 108.5° | 109.5° |
| C12 | C13 | N14 | 110.4° | 109.5° |
| C12 | C13 | C21 | 109.2° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.5° |
| C13 | C12 | H14 | 108.5° | 109.5° |
| C12 | C13 | H15 | 107.8° | 109.5° |
| C13 | N14 | C15 | 124.5° | 120.0° |
| N14 | C13 | C21 | 112.3° | 109.4° |
| N14 | C13 | H15 | 109.2° | 109.4° |
| C13 | N14 | H35 | 105.6° | 120.0° |
| N14 | C15 | C20 | 121.5° | 120.1° |
| N14 | C15 | C16 | 121.9° | 120.1° |
| C15 | N14 | H35 | 105.6° | 120.0° |
| C13 | C21 | O22 | 121.3° | 120.0° |
| C21 | C13 | H15 | 107.9° | 109.5° |
| C15 | C20 | C19 | 122.3° | 120.0° |
| C20 | C15 | C16 | 116.6° | 119.8° |
| C15 | C20 | H20 | 118.8° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.0° |
| C15 | C16 | H16 | 119.3° | 120.0° |
| C19 | C18 | C17 | 118.2° | 120.2° |
| C19 | C18 | H18 | 120.9° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C17 | C16 | H16 | 119.3° | 120.0° |
| C16 | C17 | H17 | 119.4° | 120.0° |
| C18 | C17 | H17 | 119.4° | 120.0° |
| C17 | C18 | H18 | 120.9° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| 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° | 109.4° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | N34 | C35 | H37 | 180.0° | 179.7° |
| N34 | C33 | C32 | H29 | 180.0° | 180.0° |
| C33 | N34 | C35 | C40 | 179.9° | 179.9° |
| C33 | N34 | C35 | C36 | 0.0° | 0.4° |
| N34 | C33 | C32 | C36 | 0.6° | 0.0° |
| N34 | C33 | C32 | C31 | 178.6° | 179.7° |
| C35 | N34 | C33 | C32 | 0.4° | 0.3° |
| N34 | C35 | C40 | C36 | 179.9° | 179.5° |
| N34 | C35 | C40 | C39 | 179.9° | 179.5° |
| N34 | C35 | C36 | C32 | 0.3° | 0.4° |
| N34 | C35 | C36 | C37 | 179.9° | 179.6° |
| C35 | N34 | C33 | H29 | 179.6° | 179.8° |
| N34 | C35 | C40 | H33 | 0.1° | 0.5° |
| C33 | C32 | C36 | C35 | 0.6° | 0.2° |
| C33 | C32 | C36 | C31 | 177.9° | 179.7° |
| C33 | C32 | C36 | C37 | 180.0° | 179.8° |
| C33 | C32 | C31 | C09 | 120.4° | 94.7° |
| C33 | C32 | C31 | H27 | 0.7° | 145.3° |
| C33 | C32 | C31 | H28 | 118.4° | 25.3° |
| C32 | C33 | N34 | H37 | 179.6° | 180.0° |
| C29 | C28 | N27 | H24 | 180.0° | 179.8° |
| C28 | C29 | C30 | H25 | 180.0° | 179.7° |
| C29 | C28 | N27 | C26 | 0.2° | 0.2° |
| C28 | C29 | C30 | C25 | 1.4° | 0.0° |
| C28 | C29 | C30 | H26 | 178.6° | 180.0° |
| N27 | C28 | C29 | C30 | 0.4° | 0.3° |
| C28 | N27 | C26 | C25 | 0.0° | 0.1° |
| C28 | N27 | C26 | H23 | 180.0° | 180.0° |
| N27 | C28 | C29 | H25 | 179.5° | 180.0° |
| C35 | C40 | C39 | H33 | 180.0° | 179.9° |
| C40 | C35 | C36 | C32 | 179.6° | 180.0° |
| C40 | C35 | C36 | C37 | 0.0° | 0.0° |
| C35 | C40 | C39 | C38 | 0.2° | 0.1° |
| C35 | C40 | C39 | H32 | 179.7° | 180.0° |
| C40 | C35 | N34 | H37 | 0.1° | 0.3° |
| C36 | C35 | C40 | C39 | 0.2° | 0.1° |
| C35 | C36 | C32 | C37 | 179.4° | 180.0° |
| C35 | C36 | C32 | C31 | 178.5° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C35 | C36 | C37 | H30 | 179.8° | 180.0° |
| C36 | C35 | C40 | H33 | 179.8° | 180.0° |
| C36 | C35 | N34 | H37 | 180.0° | 179.9° |
| C40 | C39 | C38 | H32 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 0.1° | 0.1° |
| C40 | C39 | C38 | H31 | 180.0° | 180.0° |
| C29 | C30 | C25 | H26 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 1.5° | 0.2° |
| C29 | C30 | C25 | C24 | 178.7° | 180.0° |
| C30 | C29 | C28 | H24 | 179.6° | 180.0° |
| C36 | C32 | C31 | C09 | 57.2° | 85.0° |
| C32 | C36 | C37 | C38 | 179.6° | 180.0° |
| C36 | C32 | C31 | H27 | 178.3° | 35.0° |
| C36 | C32 | C31 | H28 | 63.9° | 155.0° |
| C36 | C32 | C33 | H29 | 179.4° | 180.0° |
| C32 | C36 | C37 | H30 | 0.4° | 0.0° |
| C31 | C32 | C36 | C37 | 2.1° | 0.0° |
| C32 | C31 | C09 | H27 | 121.1° | 120.0° |
| C32 | C31 | C09 | H28 | 121.1° | 120.0° |
| C32 | C31 | C09 | N08 | 37.3° | 65.0° |
| C32 | C31 | C09 | C10 | 161.6° | 175.0° |
| C32 | C31 | C09 | H10 | 82.3° | 55.0° |
| C32 | C31 | H27 | H28 | 116.5° | 120.0° |
| C31 | C32 | C33 | H29 | 1.4° | 0.2° |
| N27 | C26 | C25 | C30 | 0.9° | 0.3° |
| N27 | C26 | C25 | H23 | 180.0° | 179.9° |
| N27 | C26 | C25 | C24 | 179.4° | 180.0° |
| C26 | N27 | C28 | H24 | 179.8° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C36 | C37 | C38 | H30 | 180.0° | 179.9° |
| C36 | C37 | C38 | H31 | 179.8° | 180.0° |
| C31 | C09 | N08 | C10 | 122.0° | 120.0° |
| C31 | C09 | N08 | H10 | 118.7° | 120.0° |
| C31 | C09 | C10 | H10 | 115.9° | 120.1° |
| C31 | C09 | N08 | C06 | 149.0° | 60.0° |
| C31 | C09 | C10 | S11 | 69.2° | 175.0° |
| C31 | C09 | C10 | H11 | 169.9° | 55.0° |
| C31 | C09 | C10 | H12 | 51.7° | 65.0° |
| C09 | C31 | H27 | H28 | 116.5° | 120.0° |
| C31 | C09 | N08 | H34 | 30.9° | 120.0° |
| C39 | C38 | C37 | H31 | 180.0° | 180.0° |
| C39 | C38 | C37 | H30 | 179.8° | 180.0° |
| C38 | C39 | C40 | H33 | 179.8° | 180.0° |
| C30 | C25 | C26 | C24 | 179.8° | 179.7° |
| C30 | C25 | C24 | N23 | 21.4° | 90.3° |
| C30 | C25 | C24 | H21 | 99.3° | 29.7° |
| C30 | C25 | C24 | H22 | 142.1° | 149.7° |
| C30 | C25 | C26 | H23 | 179.2° | 179.8° |
| C25 | C30 | C29 | H25 | 178.6° | 179.7° |
| N08 | C09 | C10 | H10 | 119.9° | 120.0° |
| C09 | N08 | C06 | H34 | 180.0° | 180.0° |
| N08 | C09 | C10 | S11 | 55.0° | 65.0° |
| C09 | N08 | C06 | O05 | 87.1° | 180.0° |
| C09 | N08 | C06 | O07 | 110.8° | 0.0° |
| N08 | C09 | C10 | H11 | 65.9° | 175.0° |
| N08 | C09 | C10 | H12 | 175.9° | 55.0° |
| N08 | C09 | C31 | H27 | 158.4° | 55.0° |
| N08 | C09 | C31 | H28 | 83.9° | 175.0° |
| C10 | C09 | N08 | C06 | 27.0° | 60.0° |
| C09 | C10 | S11 | H11 | 120.9° | 119.9° |
| C09 | C10 | S11 | H12 | 120.8° | 120.0° |
| C09 | C10 | S11 | C12 | 0.7° | 180.0° |
| C09 | C10 | H11 | H12 | 117.3° | 120.0° |
| C10 | C09 | C31 | H27 | 77.2° | 64.9° |
| C10 | C09 | C31 | H28 | 40.5° | 55.0° |
| C10 | C09 | N08 | H34 | 152.9° | 120.0° |
| C26 | C25 | C24 | N23 | 158.8° | 90.0° |
| C26 | C25 | C24 | H21 | 80.5° | 150.0° |
| C26 | C25 | C24 | H22 | 38.1° | 30.0° |
| C26 | C25 | C30 | H26 | 178.5° | 179.7° |
| C37 | C38 | C39 | H32 | 179.9° | 180.0° |
| C01 | C02 | C04 | O05 | 120.4° | 120.0° |
| C01 | C02 | C04 | C03 | 120.0° | 119.9° |
| C01 | C02 | O05 | C03 | 123.0° | 120.0° |
| C01 | C02 | O05 | C06 | 139.0° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| 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° |
| N08 | C06 | O05 | C02 | 100.4° | 180.0° |
| N08 | C06 | O05 | O07 | 162.3° | 180.0° |
| C06 | N08 | C09 | H10 | 92.2° | 180.0° |
| C25 | C24 | N23 | H21 | 120.7° | 120.0° |
| C25 | C24 | N23 | H22 | 120.7° | 120.0° |
| C25 | C24 | N23 | C21 | 119.0° | 180.0° |
| C25 | C24 | H21 | H22 | 117.9° | 120.0° |
| C24 | C25 | C26 | H23 | 0.6° | 0.1° |
| C24 | C25 | C30 | H26 | 1.3° | 0.0° |
| C25 | C24 | N23 | H36 | 61.0° | 0.0° |
| C10 | S11 | C12 | C13 | 146.6° | 180.0° |
| S11 | C10 | C09 | H10 | 174.9° | 55.0° |
| S11 | C10 | H11 | H12 | 117.3° | 120.0° |
| C10 | S11 | C12 | H13 | 26.0° | 60.0° |
| C10 | S11 | C12 | H14 | 92.9° | 60.0° |
| C04 | C02 | O05 | C03 | 118.9° | 120.0° |
| C04 | C02 | O05 | C06 | 20.9° | 180.0° |
| C04 | C02 | C01 | H1 | 180.0° | 180.0° |
| C04 | C02 | C01 | H2 | 60.0° | 60.1° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C04 | C02 | C03 | H4 | 62.5° | 60.0° |
| C04 | C02 | C03 | H5 | 57.5° | 60.1° |
| C04 | C02 | C03 | H6 | 177.5° | 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 | 61.9° | 0.0° |
| O05 | C02 | C01 | H1 | 60.2° | 60.0° |
| O05 | C02 | C01 | H2 | 179.8° | 60.0° |
| O05 | C02 | C01 | H3 | 59.8° | 180.0° |
| O05 | C02 | C03 | H4 | 57.3° | 180.0° |
| O05 | C02 | C03 | H5 | 177.3° | 60.0° |
| O05 | C02 | C03 | H6 | 62.7° | 60.0° |
| O05 | C02 | C04 | H7 | 59.6° | 60.0° |
| O05 | C02 | C04 | H8 | 60.4° | 60.0° |
| O05 | C02 | C04 | H9 | 179.7° | 180.0° |
| C06 | O05 | C02 | C03 | 98.0° | 60.0° |
| O05 | C06 | N08 | H34 | 92.9° | 0.0° |
| C03 | C02 | C01 | H1 | 61.8° | 60.1° |
| C03 | C02 | C01 | H2 | 58.2° | 180.0° |
| C03 | C02 | C01 | H3 | 178.2° | 60.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.1° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 60.0° | 180.0° |
| C03 | C02 | C04 | H8 | 180.0° | 60.0° |
| C03 | C02 | C04 | H9 | 60.0° | 60.0° |
| O07 | C06 | N08 | H34 | 69.1° | 180.0° |
| C24 | N23 | C21 | H36 | 180.0° | 180.0° |
| C24 | N23 | C21 | C13 | 179.7° | 180.0° |
| C24 | N23 | C21 | O22 | 0.5° | 0.0° |
| N23 | C24 | H21 | H22 | 117.9° | 120.0° |
| N23 | C21 | C13 | C12 | 121.9° | 80.0° |
| N23 | C21 | C13 | N14 | 0.8° | 160.0° |
| N23 | C21 | C13 | O22 | 179.2° | 180.0° |
| N23 | C21 | C13 | H15 | 121.2° | 40.1° |
| C21 | N23 | C24 | H21 | 120.3° | 60.0° |
| C21 | N23 | C24 | H22 | 1.7° | 60.0° |
| S11 | C12 | C13 | H13 | 120.6° | 120.0° |
| S11 | C12 | C13 | H14 | 120.5° | 120.0° |
| S11 | C12 | C13 | N14 | 49.6° | 65.4° |
| S11 | C12 | C13 | C21 | 173.5° | 174.7° |
| C12 | S11 | C10 | H11 | 120.2° | 60.0° |
| C12 | S11 | C10 | H12 | 121.5° | 60.0° |
| S11 | C12 | H13 | H14 | 118.3° | 120.0° |
| S11 | C12 | C13 | H15 | 69.5° | 54.6° |
| C12 | C13 | N14 | C21 | 122.1° | 120.0° |
| C12 | C13 | N14 | H15 | 118.3° | 120.0° |
| C12 | C13 | N14 | C15 | 129.0° | 157.2° |
| C12 | C13 | C21 | H15 | 116.9° | 120.1° |
| C12 | C13 | C21 | O22 | 58.9° | 100.0° |
| C13 | C12 | H13 | H14 | 118.3° | 120.0° |
| C12 | C13 | N14 | H35 | 7.0° | 22.7° |
| C13 | N14 | C15 | H35 | 122.1° | 179.9° |
| N14 | C13 | C21 | H15 | 120.4° | 119.9° |
| N14 | C13 | C21 | O22 | 178.4° | 20.0° |
| C13 | N14 | C15 | C20 | 146.0° | 2.0° |
| C13 | N14 | C15 | C16 | 35.4° | 177.7° |
| N14 | C13 | C12 | H13 | 70.9° | 174.6° |
| N14 | C13 | C12 | H14 | 170.2° | 54.7° |
| C15 | N14 | C13 | C21 | 108.9° | 82.8° |
| N14 | C15 | C20 | C16 | 178.7° | 179.7° |
| N14 | C15 | C20 | C19 | 178.9° | 179.7° |
| N14 | C15 | C16 | C17 | 178.7° | 179.7° |
| C15 | N14 | C13 | H15 | 10.7° | 37.1° |
| N14 | C15 | C16 | H16 | 1.2° | 0.3° |
| N14 | C15 | C20 | H20 | 1.1° | 0.2° |
| C21 | C13 | C12 | H13 | 52.9° | 54.7° |
| C21 | C13 | C12 | H14 | 66.0° | 65.3° |
| C21 | C13 | N14 | H35 | 129.1° | 97.2° |
| C13 | C21 | N23 | H36 | 0.3° | 0.0° |
| O22 | C21 | C13 | H15 | 58.0° | 140.0° |
| O22 | C21 | N23 | H36 | 179.5° | 180.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C15 | C16 | C17 | 0.1° | 0.0° |
| C20 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C20 | C19 | H19 | 179.8° | 180.0° |
| C20 | C15 | N14 | H35 | 24.0° | 177.9° |
| C19 | C20 | C15 | C16 | 0.2° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | H20 | 179.8° | 179.9° |
| C16 | C15 | N14 | H35 | 157.4° | 2.4° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | H17 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.8° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 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 | 54.0° | 65.0° |
| H10 | C09 | C10 | H12 | 64.2° | 174.9° |
| H10 | C09 | C31 | H27 | 38.8° | 175.0° |
| H10 | C09 | C31 | H28 | 156.6° | 65.0° |
| H10 | C09 | N08 | H34 | 87.8° | 0.0° |
| H13 | C12 | C13 | H15 | 169.9° | 65.4° |
| H14 | C12 | C13 | H15 | 51.0° | 174.6° |
| H15 | C13 | N14 | H35 | 111.3° | 142.8° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.2° |
| H21 | C24 | N23 | H36 | 59.7° | 120.0° |
| H22 | C24 | N23 | H36 | 178.3° | 120.0° |
| H24 | C28 | C29 | H25 | 0.5° | 0.3° |
| H25 | C29 | C30 | H26 | 1.4° | 0.3° |
| H29 | C33 | N34 | H37 | 0.3° | 0.0° |
| H30 | C37 | C38 | H31 | 0.2° | 0.0° |
| H31 | C38 | C39 | H32 | 0.0° | 0.0° |
| H32 | C39 | C40 | H33 | 0.3° | 0.0° |
