X74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O05 | sing | 1.45Å | 1.45Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C35 | doub | 1.36Å | 1.35Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.40Å | |
| C35 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C37 | C38 | doub | 1.36Å | 1.35Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | N08 | sing | 1.35Å | 1.43Å | |
| C06 | O07 | doub | 1.21Å | 1.20Å | |
| S11 | C12 | sing | 1.81Å | 1.84Å | |
| S11 | C10 | sing | 1.81Å | 1.84Å | |
| N08 | C09 | sing | 1.46Å | 1.49Å | |
| C38 | C39 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C32 | C09 | sing | 1.53Å | 1.60Å | |
| C34 | C39 | doub | 1.42Å | 1.44Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C20 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | C40 | sing | 1.41Å | 1.43Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C42 | doub | 1.36Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C20 | N22 | sing | 1.35Å | 1.37Å | |
| C20 | O21 | doub | 1.21Å | 1.27Å | |
| C29 | N30 | doub | 1.32Å | 1.35Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C42 | C41 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C41 | doub | 1.36Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| N30 | C31 | sing | 1.32Å | 1.36Å | 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 | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| N08 | H40 | sing | 0.97Å | 1.00Å | |
| N22 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C04 | 108.3° | 109.5° |
| C01 | C02 | C03 | 106.7° | 109.4° |
| C01 | C02 | O05 | 108.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C04 | C02 | C03 | 111.1° | 109.5° |
| C04 | C02 | O05 | 106.2° | 109.5° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.4° | 109.5° |
| C03 | C02 | O05 | 116.2° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | O05 | C06 | 122.1° | 117.0° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C16 | C15 | C14 | 124.4° | 120.0° |
| C16 | C15 | H16 | 117.8° | 120.0° |
| C15 | C16 | H17 | 120.8° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C17 | C16 | H17 | 120.8° | 120.0° |
| C16 | C17 | H18 | 120.5° | 120.0° |
| C15 | C14 | C19 | 115.1° | 120.0° |
| C15 | C14 | C13 | 124.4° | 120.0° |
| C14 | C15 | H16 | 117.8° | 120.0° |
| C17 | C18 | C19 | 121.5° | 120.0° |
| C18 | C17 | H18 | 120.4° | 120.1° |
| C17 | C18 | H19 | 119.3° | 119.9° |
| C35 | C36 | C37 | 119.2° | 121.0° |
| C36 | C35 | C34 | 124.0° | 119.6° |
| C36 | C35 | H33 | 118.0° | 120.2° |
| C35 | C36 | H34 | 120.4° | 119.4° |
| C36 | C37 | C38 | 119.7° | 121.0° |
| C37 | C36 | H34 | 120.4° | 119.6° |
| C36 | C37 | H35 | 120.1° | 119.5° |
| O05 | C06 | N08 | 117.6° | 120.0° |
| O05 | C06 | O07 | 118.8° | 120.1° |
| C35 | C34 | C39 | 116.4° | 119.4° |
| C35 | C34 | C33 | 123.7° | 121.3° |
| C34 | C35 | H33 | 118.0° | 120.2° |
| C37 | C38 | C39 | 123.4° | 119.7° |
| C38 | C37 | H35 | 120.1° | 119.5° |
| C37 | C38 | H36 | 118.3° | 120.2° |
| C19 | C14 | C13 | 120.6° | 120.0° |
| C14 | C19 | C18 | 121.5° | 120.0° |
| C14 | C19 | H20 | 119.2° | 120.0° |
| C14 | C13 | C12 | 114.8° | 109.5° |
| C14 | C13 | H14 | 108.1° | 109.5° |
| C14 | C13 | H15 | 108.1° | 109.4° |
| C19 | C18 | H19 | 119.2° | 120.0° |
| C18 | C19 | H20 | 119.3° | 120.0° |
| N08 | C06 | O07 | 123.7° | 119.9° |
| C06 | N08 | C09 | 126.2° | 120.0° |
| C06 | N08 | H40 | 116.9° | 120.0° |
| C12 | S11 | C10 | 112.9° | 103.0° |
| S11 | C12 | C13 | 110.7° | 109.5° |
| S11 | C12 | C20 | 116.2° | 109.4° |
| S11 | C12 | H13 | 103.9° | 109.5° |
| S11 | C10 | C09 | 112.2° | 109.5° |
| S11 | C10 | H11 | 108.8° | 109.4° |
| S11 | C10 | H12 | 108.8° | 109.4° |
| N08 | C09 | C32 | 112.6° | 109.5° |
| N08 | C09 | C10 | 113.6° | 109.5° |
| N08 | C09 | H10 | 108.1° | 109.4° |
| C09 | N08 | H40 | 116.9° | 120.0° |
| C38 | C39 | C34 | 117.3° | 119.3° |
| C38 | C39 | C40 | 125.0° | 121.3° |
| C39 | C38 | H36 | 118.3° | 120.2° |
| C33 | C32 | C09 | 120.1° | 109.5° |
| C32 | C33 | C34 | 118.8° | 120.1° |
| C32 | C33 | C42 | 122.4° | 120.2° |
| C33 | C32 | H31 | 106.8° | 109.5° |
| C33 | C32 | H32 | 106.8° | 109.5° |
| C32 | C09 | C10 | 107.9° | 109.5° |
| C32 | C09 | H10 | 106.9° | 109.4° |
| C09 | C32 | H31 | 106.8° | 109.5° |
| C09 | C32 | H32 | 106.7° | 109.4° |
| C39 | C34 | C33 | 119.9° | 119.3° |
| C34 | C39 | C40 | 117.7° | 119.4° |
| C34 | C33 | C42 | 118.8° | 119.7° |
| C13 | C12 | C20 | 111.3° | 109.5° |
| C13 | C12 | H13 | 106.8° | 109.5° |
| C12 | C13 | H14 | 108.1° | 109.5° |
| C12 | C13 | H15 | 108.1° | 109.5° |
| C12 | C20 | N22 | 124.8° | 120.0° |
| C12 | C20 | O21 | 117.4° | 120.0° |
| C20 | C12 | H13 | 107.2° | 109.5° |
| C27 | C28 | C29 | 118.0° | 119.2° |
| C28 | C27 | C26 | 122.4° | 118.4° |
| C28 | C27 | H27 | 118.8° | 120.8° |
| C27 | C28 | H28 | 121.0° | 120.4° |
| C28 | C29 | N30 | 123.7° | 120.7° |
| C29 | C28 | H28 | 121.0° | 120.4° |
| C28 | C29 | H29 | 118.1° | 119.6° |
| C39 | C40 | C41 | 121.8° | 119.7° |
| C39 | C40 | H37 | 119.1° | 120.2° |
| C27 | C26 | C25 | 122.9° | 120.4° |
| C27 | C26 | C31 | 113.1° | 119.2° |
| C26 | C27 | H27 | 118.8° | 120.8° |
| C33 | C42 | C41 | 121.5° | 120.9° |
| C33 | C42 | H39 | 119.2° | 119.5° |
| C10 | C09 | H10 | 107.4° | 109.5° |
| C09 | C10 | H11 | 108.8° | 109.5° |
| C09 | C10 | H12 | 108.8° | 109.5° |
| N22 | C20 | O21 | 117.7° | 120.0° |
| C20 | N22 | C23 | 128.6° | 120.0° |
| C20 | N22 | H41 | 115.7° | 120.1° |
| C29 | N30 | C31 | 115.7° | 121.7° |
| N30 | C29 | H29 | 118.2° | 119.7° |
| N22 | C23 | C24 | 115.4° | 109.5° |
| N22 | C23 | H21 | 108.0° | 109.5° |
| N22 | C23 | H22 | 108.0° | 109.5° |
| C23 | N22 | H41 | 115.7° | 119.9° |
| C42 | C41 | C40 | 120.2° | 121.0° |
| C42 | C41 | H38 | 119.9° | 119.4° |
| C41 | C42 | H39 | 119.3° | 119.5° |
| C25 | C26 | C31 | 123.9° | 120.5° |
| C26 | C25 | C24 | 118.9° | 109.5° |
| C26 | C25 | H25 | 107.1° | 109.5° |
| C26 | C25 | H26 | 107.1° | 109.5° |
| C26 | C31 | N30 | 127.1° | 120.8° |
| C26 | C31 | H30 | 116.5° | 119.6° |
| C41 | C40 | H37 | 119.1° | 120.1° |
| C40 | C41 | H38 | 119.9° | 119.6° |
| C25 | C24 | C23 | 118.7° | 109.5° |
| C25 | C24 | H23 | 107.1° | 109.5° |
| C25 | C24 | H24 | 107.1° | 109.5° |
| C24 | C25 | H25 | 107.1° | 109.4° |
| C24 | C25 | H26 | 107.1° | 109.5° |
| C24 | C23 | H21 | 108.0° | 109.4° |
| C24 | C23 | H22 | 108.0° | 109.4° |
| C23 | C24 | H23 | 107.1° | 109.5° |
| C23 | C24 | H24 | 107.1° | 109.5° |
| N30 | C31 | H30 | 116.5° | 119.6° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.4° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.4° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H31 | C32 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C04 | C03 | 116.8° | 120.0° |
| C01 | C02 | C04 | O05 | 116.0° | 120.0° |
| C01 | C02 | C03 | O05 | 120.7° | 120.0° |
| C01 | C02 | O05 | C06 | 166.5° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| 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° | 59.9° |
| C04 | C02 | C03 | O05 | 121.5° | 120.0° |
| C04 | C02 | O05 | C06 | 50.5° | 180.0° |
| C04 | C02 | C01 | H1 | 180.0° | 60.0° |
| C04 | C02 | C01 | H2 | 60.0° | 59.9° |
| C04 | C02 | C01 | H3 | 60.0° | 180.0° |
| C04 | C02 | C03 | H4 | 62.2° | 60.0° |
| C04 | C02 | C03 | H5 | 177.8° | 60.0° |
| C04 | C02 | C03 | H6 | 57.8° | 180.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 120.1° |
| C03 | C02 | O05 | C06 | 73.6° | 60.0° |
| C03 | C02 | C01 | H1 | 60.4° | 180.0° |
| C03 | C02 | C01 | H2 | 179.6° | 60.1° |
| C03 | C02 | C01 | H3 | 59.6° | 60.0° |
| 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 | 63.2° | 180.0° |
| C03 | C02 | C04 | H8 | 56.8° | 60.0° |
| C03 | C02 | C04 | H9 | 176.8° | 60.1° |
| C02 | O05 | C06 | N08 | 69.0° | 180.0° |
| C02 | O05 | C06 | O07 | 111.8° | 0.0° |
| O05 | C02 | C01 | H1 | 65.3° | 60.0° |
| O05 | C02 | C01 | H2 | 54.7° | 180.0° |
| O05 | C02 | C01 | H3 | 174.7° | 60.0° |
| O05 | C02 | C03 | H4 | 59.3° | 180.0° |
| O05 | C02 | C03 | H5 | 60.7° | 60.0° |
| O05 | C02 | C03 | H6 | 179.3° | 60.0° |
| O05 | C02 | C04 | H7 | 64.0° | 60.1° |
| O05 | C02 | C04 | H8 | 176.0° | 59.9° |
| O05 | C02 | C04 | H9 | 56.0° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C14 | C19 | 0.0° | 0.0° |
| C16 | C15 | C14 | C13 | 180.0° | 179.7° |
| C15 | C16 | C17 | H18 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C17 | C16 | C15 | H16 | 179.9° | 180.0° |
| C16 | C17 | C18 | H19 | 179.7° | 179.9° |
| C15 | C14 | C19 | C13 | 180.0° | 179.6° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C13 | C12 | 62.4° | 86.1° |
| C15 | C14 | C13 | H14 | 58.4° | 153.9° |
| C15 | C14 | C13 | H15 | 176.8° | 33.9° |
| C14 | C15 | C16 | H17 | 179.9° | 179.9° |
| C15 | C14 | C19 | H20 | 180.0° | 179.7° |
| C17 | C18 | C19 | C14 | 0.1° | 0.1° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C18 | C17 | C16 | H17 | 179.8° | 180.0° |
| C17 | C18 | C19 | H20 | 179.9° | 179.8° |
| C35 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | H33 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C36 | C35 | C34 | C39 | 0.1° | 0.0° |
| C36 | C35 | C34 | C33 | 179.9° | 180.0° |
| C35 | C36 | C37 | H35 | 179.7° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C37 | C36 | C35 | H33 | 179.9° | 180.0° |
| C36 | C37 | C38 | H36 | 179.8° | 180.0° |
| O05 | C06 | N08 | O07 | 179.3° | 180.0° |
| O05 | C06 | N08 | C09 | 157.0° | 175.5° |
| O05 | C06 | N08 | H40 | 23.1° | 4.4° |
| C35 | C34 | C39 | C38 | 0.0° | 0.0° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C35 | C34 | C39 | C33 | 179.9° | 180.0° |
| C35 | C34 | C39 | C40 | 179.9° | 180.0° |
| C35 | C34 | C33 | C42 | 179.8° | 179.7° |
| C34 | C35 | C36 | H34 | 179.9° | 180.0° |
| C37 | C38 | C39 | H36 | 180.0° | 180.0° |
| C37 | C38 | C39 | C34 | 0.1° | 0.0° |
| C37 | C38 | C39 | C40 | 180.0° | 179.9° |
| C38 | C37 | C36 | H34 | 179.7° | 180.0° |
| C14 | C19 | C18 | H20 | 180.0° | 179.7° |
| C19 | C14 | C13 | C12 | 117.6° | 93.5° |
| C19 | C14 | C13 | H14 | 121.6° | 26.5° |
| C19 | C14 | C13 | H15 | 3.2° | 146.4° |
| C19 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C19 | C18 | H19 | 179.9° | 180.0° |
| C13 | C14 | C19 | C18 | 180.0° | 179.6° |
| C14 | C13 | C12 | S11 | 137.3° | 65.7° |
| C14 | C13 | C12 | H14 | 120.8° | 120.0° |
| C14 | C13 | C12 | H15 | 120.8° | 120.0° |
| C14 | C13 | C12 | C20 | 91.8° | 174.3° |
| C14 | C13 | C12 | H13 | 24.8° | 54.3° |
| C14 | C13 | H14 | H15 | 117.5° | 119.9° |
| C13 | C14 | C15 | H16 | 0.0° | 0.3° |
| C13 | C14 | C19 | H20 | 0.0° | 0.0° |
| C19 | C18 | C17 | H18 | 179.7° | 180.0° |
| C06 | N08 | C09 | H40 | 180.0° | 179.9° |
| C06 | N08 | C09 | C32 | 60.5° | 63.6° |
| C06 | N08 | C09 | C10 | 176.5° | 56.4° |
| C06 | N08 | C09 | H10 | 57.3° | 176.4° |
| O07 | C06 | N08 | C09 | 23.8° | 4.5° |
| O07 | C06 | N08 | H40 | 156.2° | 175.6° |
| S11 | C12 | C13 | C20 | 130.9° | 120.0° |
| S11 | C12 | C13 | H13 | 112.5° | 120.0° |
| S11 | C12 | C20 | H13 | 115.6° | 120.0° |
| C12 | S11 | C10 | C09 | 120.7° | 175.1° |
| S11 | C12 | C20 | N22 | 96.7° | 155.1° |
| S11 | C12 | C20 | O21 | 83.8° | 25.1° |
| C12 | S11 | C10 | H11 | 118.9° | 55.1° |
| C12 | S11 | C10 | H12 | 0.3° | 64.9° |
| S11 | C12 | C13 | H14 | 16.5° | 174.3° |
| S11 | C12 | C13 | H15 | 102.0° | 54.3° |
| S11 | C10 | C09 | N08 | 75.2° | 60.6° |
| S11 | C10 | C09 | C32 | 50.3° | 179.3° |
| C10 | S11 | C12 | C13 | 122.5° | 171.9° |
| C10 | S11 | C12 | C20 | 5.7° | 68.1° |
| S11 | C10 | C09 | H11 | 120.4° | 120.0° |
| S11 | C10 | C09 | H12 | 120.4° | 120.0° |
| S11 | C10 | C09 | H10 | 165.2° | 59.3° |
| S11 | C10 | H11 | H12 | 118.8° | 120.0° |
| C10 | S11 | C12 | H13 | 123.2° | 51.9° |
| N08 | C09 | C32 | C33 | 132.5° | 64.9° |
| N08 | C09 | C32 | C10 | 126.2° | 120.0° |
| N08 | C09 | C32 | H10 | 118.6° | 119.9° |
| N08 | C09 | C10 | H10 | 119.5° | 120.0° |
| N08 | C09 | C10 | H11 | 45.2° | 59.3° |
| N08 | C09 | C10 | H12 | 164.4° | 179.4° |
| N08 | C09 | C32 | H31 | 10.9° | 175.0° |
| N08 | C09 | C32 | H32 | 106.0° | 55.0° |
| C38 | C39 | C34 | C40 | 179.9° | 180.0° |
| C38 | C39 | C34 | C33 | 179.9° | 180.0° |
| C38 | C39 | C40 | C41 | 179.9° | 180.0° |
| C39 | C38 | C37 | H35 | 179.7° | 180.0° |
| C38 | C39 | C40 | H37 | 0.1° | 0.1° |
| C33 | C32 | C09 | H31 | 121.5° | 120.1° |
| C33 | C32 | C09 | H32 | 121.5° | 120.0° |
| C32 | C33 | C34 | C39 | 179.9° | 180.0° |
| C32 | C33 | C34 | C42 | 179.6° | 179.7° |
| C33 | C32 | C09 | C10 | 101.4° | 175.0° |
| C32 | C33 | C42 | C41 | 179.9° | 179.8° |
| C33 | C32 | C09 | H10 | 13.9° | 55.0° |
| C33 | C32 | H31 | H32 | 115.2° | 120.0° |
| C32 | C33 | C42 | H39 | 0.1° | 0.0° |
| C09 | C32 | C33 | C34 | 134.0° | 85.3° |
| C09 | C32 | C33 | C42 | 45.6° | 95.0° |
| C32 | C09 | C10 | H10 | 114.9° | 120.0° |
| C32 | C09 | C10 | H11 | 170.7° | 60.7° |
| C32 | C09 | C10 | H12 | 70.1° | 59.4° |
| C09 | C32 | H31 | H32 | 115.2° | 119.9° |
| C32 | C09 | N08 | H40 | 119.5° | 116.4° |
| C39 | C34 | C33 | C42 | 0.3° | 0.3° |
| C34 | C39 | C40 | C41 | 0.2° | 0.0° |
| C39 | C34 | C35 | H33 | 179.9° | 180.0° |
| C34 | C39 | C38 | H36 | 179.9° | 180.0° |
| C34 | C39 | C40 | H37 | 179.8° | 180.0° |
| C33 | C34 | C39 | C40 | 0.0° | 0.0° |
| C34 | C33 | C42 | C41 | 0.5° | 0.5° |
| C34 | C33 | C32 | H31 | 12.5° | 34.7° |
| C34 | C33 | C32 | H32 | 104.5° | 154.7° |
| C33 | C34 | C35 | H33 | 0.1° | 0.0° |
| C34 | C33 | C42 | H39 | 179.5° | 179.7° |
| C13 | C12 | C20 | H13 | 116.4° | 120.0° |
| C13 | C12 | C20 | N22 | 135.3° | 84.9° |
| C13 | C12 | C20 | O21 | 44.2° | 94.9° |
| C12 | C13 | H14 | H15 | 117.6° | 120.0° |
| C12 | C20 | N22 | O21 | 179.5° | 179.9° |
| C12 | C20 | N22 | C23 | 179.4° | 180.0° |
| C20 | C12 | C13 | H14 | 147.4° | 54.3° |
| C20 | C12 | C13 | H15 | 28.9° | 65.6° |
| C12 | C20 | N22 | H41 | 0.6° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | N30 | 0.1° | 0.1° |
| C28 | C27 | C26 | C25 | 179.7° | 179.9° |
| C28 | C27 | C26 | C31 | 0.0° | 0.3° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C29 | N30 | H29 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 0.0° | 0.3° |
| C29 | C28 | C27 | H27 | 179.9° | 179.9° |
| C39 | C40 | C41 | C42 | 0.0° | 0.3° |
| C39 | C40 | C41 | H37 | 180.0° | 179.9° |
| C40 | C39 | C38 | H36 | 0.0° | 0.1° |
| C39 | C40 | C41 | H38 | 179.9° | 180.0° |
| C27 | C26 | C25 | C31 | 179.7° | 179.7° |
| C27 | C26 | C25 | C24 | 109.2° | 89.7° |
| C27 | C26 | C31 | N30 | 0.1° | 0.6° |
| C27 | C26 | C25 | H25 | 12.2° | 150.3° |
| C27 | C26 | C25 | H26 | 129.5° | 30.3° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | C26 | C31 | H30 | 179.9° | 179.7° |
| C33 | C42 | C41 | H39 | 180.0° | 179.8° |
| C33 | C42 | C41 | C40 | 0.3° | 0.5° |
| C42 | C33 | C32 | H31 | 167.1° | 145.0° |
| C42 | C33 | C32 | H32 | 75.9° | 25.0° |
| C33 | C42 | C41 | H38 | 179.7° | 179.7° |
| C09 | C10 | H11 | H12 | 118.8° | 120.1° |
| C10 | C09 | C32 | H31 | 137.1° | 54.9° |
| C10 | C09 | C32 | H32 | 20.1° | 65.0° |
| C10 | C09 | N08 | H40 | 3.5° | 123.5° |
| C20 | N22 | C23 | H41 | 180.0° | 179.9° |
| C20 | N22 | C23 | C24 | 82.6° | 179.9° |
| N22 | C20 | C12 | H13 | 18.9° | 35.1° |
| C20 | N22 | C23 | H21 | 156.5° | 60.1° |
| C20 | N22 | C23 | H22 | 38.3° | 60.0° |
| O21 | C20 | N22 | C23 | 0.1° | 0.1° |
| O21 | C20 | C12 | H13 | 160.6° | 145.0° |
| O21 | C20 | N22 | H41 | 179.9° | 180.0° |
| C29 | N30 | C31 | C26 | 0.1° | 0.6° |
| N30 | C29 | C28 | H28 | 179.9° | 179.9° |
| C29 | N30 | C31 | H30 | 179.9° | 179.7° |
| N22 | C23 | C24 | C25 | 76.8° | 180.0° |
| N22 | C23 | C24 | H21 | 120.9° | 120.0° |
| N22 | C23 | C24 | H22 | 120.9° | 120.0° |
| N22 | C23 | H21 | H22 | 117.3° | 120.0° |
| N22 | C23 | C24 | H23 | 44.6° | 60.0° |
| N22 | C23 | C24 | H24 | 161.9° | 60.0° |
| C42 | C41 | C40 | H38 | 180.0° | 179.7° |
| C42 | C41 | C40 | H37 | 180.0° | 179.8° |
| C26 | C25 | C24 | H25 | 121.4° | 120.0° |
| C26 | C25 | C24 | H26 | 121.3° | 120.0° |
| C26 | C25 | C24 | C23 | 46.5° | 180.0° |
| C25 | C26 | C31 | N30 | 179.9° | 179.7° |
| C26 | C25 | C24 | H23 | 167.8° | 60.0° |
| C26 | C25 | C24 | H24 | 74.9° | 60.0° |
| C26 | C25 | H25 | H26 | 115.8° | 120.0° |
| C25 | C26 | C27 | H27 | 0.3° | 0.1° |
| C25 | C26 | C31 | H30 | 0.1° | 0.0° |
| C31 | C26 | C25 | C24 | 70.5° | 90.0° |
| C26 | C31 | N30 | H30 | 180.0° | 179.7° |
| C31 | C26 | C25 | H25 | 168.2° | 30.0° |
| C31 | C26 | C25 | H26 | 50.8° | 150.0° |
| C31 | C26 | C27 | H27 | 180.0° | 179.8° |
| C40 | C41 | C42 | H39 | 179.7° | 179.7° |
| C25 | C24 | C23 | H23 | 121.3° | 120.0° |
| C25 | C24 | C23 | H24 | 121.3° | 120.0° |
| C25 | C24 | C23 | H21 | 44.1° | 60.0° |
| C25 | C24 | C23 | H22 | 162.4° | 60.0° |
| C25 | C24 | H23 | H24 | 115.8° | 120.0° |
| C24 | C25 | H25 | H26 | 115.7° | 120.0° |
| C24 | C23 | H21 | H22 | 117.3° | 119.9° |
| C23 | C24 | H23 | H24 | 115.8° | 120.0° |
| C23 | C24 | C25 | H25 | 74.9° | 60.0° |
| C23 | C24 | C25 | H26 | 167.8° | 60.0° |
| C24 | C23 | N22 | H41 | 97.4° | 0.0° |
| C31 | N30 | C29 | H29 | 180.0° | 179.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H7 | C04 | H8 | H9 | 120.0° | 119.9° |
| H10 | C09 | C10 | H11 | 74.4° | 179.3° |
| H10 | C09 | C10 | H12 | 44.9° | 60.6° |
| H10 | C09 | C32 | H31 | 107.6° | 65.1° |
| H10 | C09 | C32 | H32 | 135.4° | 175.0° |
| H10 | C09 | N08 | H40 | 122.7° | 3.5° |
| H13 | C12 | C13 | H14 | 96.0° | 65.7° |
| H13 | C12 | C13 | H15 | 145.6° | 174.3° |
| H16 | C15 | C16 | H17 | 0.1° | 0.1° |
| H17 | C16 | C17 | H18 | 0.3° | 0.1° |
| H18 | C17 | C18 | H19 | 0.3° | 0.0° |
| H19 | C18 | C19 | H20 | 0.1° | 0.3° |
| H21 | C23 | C24 | H23 | 165.4° | 60.1° |
| H21 | C23 | C24 | H24 | 77.2° | 180.0° |
| H21 | C23 | N22 | H41 | 23.4° | 120.0° |
| H22 | C23 | C24 | H23 | 76.3° | 180.0° |
| H22 | C23 | C24 | H24 | 41.1° | 60.0° |
| H22 | C23 | N22 | H41 | 141.7° | 119.9° |
| H23 | C24 | C25 | H25 | 46.4° | 180.0° |
| H23 | C24 | C25 | H26 | 70.9° | 60.0° |
| H24 | C24 | C25 | H25 | 163.8° | 60.1° |
| H24 | C24 | C25 | H26 | 46.5° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| H33 | C35 | C36 | H34 | 0.1° | 0.0° |
| H34 | C36 | C37 | H35 | 0.3° | 0.0° |
| H35 | C37 | C38 | H36 | 0.3° | 0.0° |
| H37 | C40 | C41 | H38 | 0.0° | 0.1° |
| H38 | C41 | C42 | H39 | 0.3° | 0.0° |
