X6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O05 | sing | 1.45Å | 1.45Å | |
| O05 | C06 | sing | 1.35Å | 1.39Å | |
| O07 | C06 | doub | 1.22Å | 1.25Å | |
| C06 | N08 | sing | 1.35Å | 1.41Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.50Å | |
| C34 | N35 | sing | 1.37Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.34Å | 1.43Å | Aromatic |
| N35 | C36 | sing | 1.38Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.48Å | |
| C33 | C37 | sing | 1.47Å | 1.46Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C36 | C41 | doub | 1.39Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.37Å | Aromatic |
| C09 | C32 | sing | 1.53Å | 1.58Å | |
| C09 | C10 | sing | 1.53Å | 1.59Å | |
| C41 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | S11 | sing | 1.82Å | 1.86Å | |
| C12 | C20 | sing | 1.51Å | 1.53Å | |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | S11 | sing | 1.81Å | 1.86Å | |
| C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| N22 | C20 | sing | 1.35Å | 1.40Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C38 | C39 | sing | 1.37Å | 1.41Å | Aromatic |
| C29 | N30 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C26 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| N30 | C31 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H37 | sing | 1.08Å | 1.08Å | |
| N08 | H38 | sing | 0.97Å | 1.00Å | |
| N22 | H39 | sing | 0.97Å | 1.00Å | |
| N35 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 107.2° | 109.5° |
| C03 | C02 | C04 | 111.5° | 109.4° |
| C03 | C02 | O05 | 113.3° | 109.4° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.4° |
| C01 | C02 | C04 | 108.8° | 109.5° |
| C01 | C02 | O05 | 108.7° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C04 | C02 | O05 | 107.2° | 109.5° |
| C02 | C04 | H14 | 109.5° | 109.4° |
| C02 | C04 | H15 | 109.5° | 109.5° |
| C02 | C04 | H16 | 109.5° | 109.5° |
| C02 | O05 | C06 | 122.6° | 117.0° |
| O05 | C06 | O07 | 116.8° | 120.0° |
| O05 | C06 | N08 | 123.4° | 120.0° |
| O07 | C06 | N08 | 119.8° | 120.0° |
| C06 | N08 | C09 | 125.7° | 120.0° |
| C06 | N08 | H38 | 117.1° | 120.0° |
| C19 | C18 | C17 | 120.6° | 120.0° |
| C18 | C19 | C14 | 121.9° | 120.0° |
| C19 | C18 | H7 | 119.7° | 120.0° |
| C18 | C19 | H20 | 119.0° | 120.0° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C18 | C17 | H6 | 120.7° | 120.0° |
| C17 | C18 | H7 | 119.7° | 120.0° |
| C19 | C14 | C13 | 121.5° | 120.0° |
| C19 | C14 | C15 | 116.8° | 120.0° |
| C14 | C19 | H20 | 119.1° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C17 | C16 | H5 | 120.0° | 120.0° |
| C16 | C17 | H6 | 120.7° | 120.0° |
| N08 | C09 | C32 | 112.9° | 109.5° |
| N08 | C09 | C10 | 111.7° | 109.5° |
| N08 | C09 | H17 | 107.3° | 109.5° |
| C09 | N08 | H38 | 117.1° | 120.0° |
| N35 | C34 | C33 | 107.8° | 109.9° |
| C34 | N35 | C36 | 110.9° | 109.9° |
| N35 | C34 | H33 | 126.1° | 125.1° |
| C34 | N35 | H40 | 124.5° | 125.0° |
| C34 | C33 | C32 | 123.5° | 126.5° |
| C34 | C33 | C37 | 103.1° | 107.0° |
| C33 | C34 | H33 | 126.1° | 125.0° |
| N35 | C36 | C41 | 130.1° | 133.5° |
| N35 | C36 | C37 | 107.8° | 107.2° |
| C36 | N35 | H40 | 124.5° | 125.1° |
| C13 | C14 | C15 | 121.7° | 120.0° |
| C14 | C13 | C12 | 116.9° | 109.5° |
| C14 | C13 | H2 | 107.5° | 109.5° |
| C14 | C13 | H3 | 107.6° | 109.5° |
| C14 | C15 | C16 | 122.0° | 120.0° |
| C14 | C15 | H4 | 119.0° | 120.0° |
| C16 | C15 | H4 | 119.0° | 120.0° |
| C15 | C16 | H5 | 119.9° | 120.0° |
| C32 | C33 | C37 | 133.4° | 126.5° |
| C33 | C32 | C09 | 117.1° | 109.5° |
| C33 | C32 | H31 | 107.5° | 109.5° |
| C33 | C32 | H32 | 107.5° | 109.5° |
| C33 | C37 | C36 | 110.3° | 106.0° |
| C33 | C37 | C38 | 127.8° | 134.0° |
| C13 | C12 | S11 | 112.8° | 109.5° |
| C13 | C12 | C20 | 115.2° | 109.5° |
| C13 | C12 | H1 | 107.0° | 109.5° |
| C12 | C13 | H2 | 107.6° | 109.5° |
| C12 | C13 | H3 | 107.6° | 109.4° |
| C41 | C36 | C37 | 122.1° | 119.3° |
| C36 | C41 | C40 | 115.9° | 119.7° |
| C36 | C41 | H37 | 122.1° | 120.1° |
| C36 | C37 | C38 | 121.9° | 119.9° |
| C32 | C09 | C10 | 111.5° | 109.5° |
| C32 | C09 | H17 | 106.5° | 109.5° |
| C09 | C32 | H31 | 107.5° | 109.5° |
| C09 | C32 | H32 | 107.5° | 109.5° |
| C09 | C10 | S11 | 112.2° | 109.5° |
| C10 | C09 | H17 | 106.4° | 109.5° |
| C09 | C10 | H18 | 108.8° | 109.5° |
| C09 | C10 | H19 | 108.8° | 109.5° |
| C41 | C40 | C39 | 121.9° | 120.7° |
| C41 | C40 | H36 | 119.0° | 119.6° |
| C40 | C41 | H37 | 122.0° | 120.1° |
| C37 | C38 | C39 | 116.3° | 119.7° |
| C37 | C38 | H34 | 121.8° | 120.1° |
| S11 | C12 | C20 | 109.7° | 109.4° |
| C12 | S11 | C10 | 111.4° | 103.0° |
| S11 | C12 | H1 | 104.1° | 109.4° |
| C12 | C20 | N22 | 126.5° | 119.9° |
| C12 | C20 | O21 | 117.7° | 120.0° |
| C20 | C12 | H1 | 107.3° | 109.5° |
| C27 | C28 | C29 | 118.9° | 119.1° |
| C28 | C27 | C26 | 120.7° | 118.5° |
| C28 | C27 | H27 | 119.7° | 120.8° |
| C27 | C28 | H28 | 120.6° | 120.4° |
| C28 | C29 | N30 | 121.0° | 120.8° |
| C29 | C28 | H28 | 120.5° | 120.4° |
| C28 | C29 | H29 | 119.5° | 119.6° |
| S11 | C10 | H18 | 108.8° | 109.5° |
| S11 | C10 | H19 | 108.8° | 109.5° |
| C27 | C26 | C25 | 122.9° | 120.4° |
| C27 | C26 | C31 | 116.0° | 119.1° |
| C26 | C27 | H27 | 119.7° | 120.8° |
| C40 | C39 | C38 | 121.9° | 120.6° |
| C40 | C39 | H35 | 119.0° | 119.7° |
| C39 | C40 | H36 | 119.1° | 119.7° |
| C20 | N22 | C23 | 124.2° | 120.0° |
| N22 | C20 | O21 | 115.8° | 120.0° |
| C20 | N22 | H39 | 117.9° | 120.1° |
| N22 | C23 | C24 | 115.8° | 109.5° |
| N22 | C23 | H21 | 107.9° | 109.5° |
| N22 | C23 | H22 | 107.9° | 109.4° |
| C23 | N22 | H39 | 117.9° | 120.0° |
| C39 | C38 | H34 | 121.9° | 120.2° |
| C38 | C39 | H35 | 119.1° | 119.7° |
| C29 | N30 | C31 | 119.4° | 121.7° |
| N30 | C29 | H29 | 119.5° | 119.6° |
| C25 | C24 | C23 | 116.4° | 109.5° |
| C24 | C25 | C26 | 116.8° | 109.5° |
| C25 | C24 | H23 | 107.7° | 109.5° |
| C25 | C24 | H24 | 107.7° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.5° |
| C24 | C25 | H26 | 107.6° | 109.5° |
| C24 | C23 | H21 | 107.9° | 109.4° |
| C24 | C23 | H22 | 107.8° | 109.5° |
| C23 | C24 | H23 | 107.7° | 109.5° |
| C23 | C24 | H24 | 107.7° | 109.4° |
| C25 | C26 | C31 | 121.1° | 120.4° |
| C26 | C25 | H25 | 107.6° | 109.4° |
| C26 | C25 | H26 | 107.6° | 109.4° |
| C26 | C31 | N30 | 124.1° | 120.8° |
| C26 | C31 | H30 | 118.0° | 119.7° |
| N30 | C31 | H30 | 118.0° | 119.6° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H13 | 109.5° | 109.5° |
| H12 | C03 | H13 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H14 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 120.8° | 120.0° |
| C03 | C02 | C01 | O05 | 122.8° | 120.0° |
| C03 | C02 | C04 | O05 | 124.5° | 119.9° |
| C03 | C02 | O05 | C06 | 80.7° | 60.1° |
| C03 | C02 | C01 | H8 | 180.0° | 180.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H13 | 120.0° | 119.9° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C03 | C02 | C04 | H14 | 180.0° | 180.0° |
| C03 | C02 | C04 | H15 | 60.0° | 60.0° |
| C03 | C02 | C04 | H16 | 60.0° | 60.0° |
| C01 | C02 | C04 | O05 | 117.4° | 120.1° |
| C01 | C02 | O05 | C06 | 160.2° | 59.9° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 180.0° | 60.0° |
| C01 | C02 | C03 | H12 | 60.0° | 180.0° |
| C01 | C02 | C03 | H13 | 60.0° | 60.0° |
| C01 | C02 | C04 | H14 | 61.9° | 60.0° |
| C01 | C02 | C04 | H15 | 178.1° | 180.0° |
| C01 | C02 | C04 | H16 | 58.1° | 59.9° |
| C04 | C02 | O05 | C06 | 42.8° | 180.0° |
| C04 | C02 | C01 | H8 | 59.3° | 60.0° |
| C04 | C02 | C01 | H9 | 60.8° | 60.0° |
| C04 | C02 | C01 | H10 | 179.2° | 180.0° |
| C04 | C02 | C03 | H11 | 61.0° | 60.0° |
| C04 | C02 | C03 | H12 | 179.0° | 60.0° |
| C04 | C02 | C03 | H13 | 59.0° | 180.0° |
| C02 | C04 | H14 | H15 | 120.0° | 120.0° |
| C02 | C04 | H14 | H16 | 120.0° | 120.0° |
| C02 | C04 | H15 | H16 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 46.0° | 0.1° |
| C02 | O05 | C06 | N08 | 134.6° | 180.0° |
| O05 | C02 | C01 | H8 | 57.2° | 60.0° |
| O05 | C02 | C01 | H9 | 177.2° | 180.0° |
| O05 | C02 | C01 | H10 | 62.8° | 60.0° |
| O05 | C02 | C03 | H11 | 60.1° | 180.0° |
| O05 | C02 | C03 | H12 | 59.9° | 60.0° |
| O05 | C02 | C03 | H13 | 179.9° | 60.1° |
| O05 | C02 | C04 | H14 | 55.5° | 60.1° |
| O05 | C02 | C04 | H15 | 64.5° | 60.0° |
| O05 | C02 | C04 | H16 | 175.5° | 180.0° |
| O05 | C06 | O07 | N08 | 179.3° | 180.0° |
| O05 | C06 | N08 | C09 | 106.4° | 180.0° |
| O05 | C06 | N08 | H38 | 73.6° | 0.0° |
| O07 | C06 | N08 | C09 | 72.9° | 0.0° |
| O07 | C06 | N08 | H38 | 107.2° | 180.0° |
| C06 | N08 | C09 | H38 | 180.0° | 180.0° |
| C06 | N08 | C09 | C32 | 23.7° | 60.0° |
| C06 | N08 | C09 | C10 | 150.4° | 60.0° |
| C06 | N08 | C09 | H17 | 93.4° | 180.0° |
| C19 | C18 | C17 | H7 | 180.0° | 179.4° |
| C18 | C19 | C14 | H20 | 180.0° | 179.4° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C18 | C19 | C14 | C13 | 179.7° | 179.7° |
| C18 | C19 | C14 | C15 | 0.5° | 0.6° |
| C19 | C18 | C17 | H6 | 179.8° | 179.7° |
| C17 | C18 | C19 | C14 | 0.2° | 0.6° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H5 | 179.8° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 180.0° |
| C19 | C14 | C13 | C15 | 179.1° | 179.7° |
| C19 | C14 | C15 | C16 | 0.5° | 0.3° |
| C19 | C14 | C13 | C12 | 78.9° | 84.4° |
| C19 | C14 | C13 | H2 | 42.2° | 155.5° |
| C19 | C14 | C13 | H3 | 160.0° | 35.6° |
| C19 | C14 | C15 | H4 | 179.5° | 179.7° |
| C14 | C19 | C18 | H7 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 179.8° | 180.0° |
| C16 | C17 | C18 | H7 | 179.8° | 179.7° |
| N08 | C09 | C32 | C33 | 81.9° | 65.0° |
| N08 | C09 | C32 | C10 | 126.8° | 120.0° |
| N08 | C09 | C32 | H17 | 117.6° | 120.0° |
| N08 | C09 | C10 | H17 | 116.8° | 120.0° |
| N08 | C09 | C10 | S11 | 89.2° | 65.0° |
| N08 | C09 | C10 | H18 | 150.4° | 175.0° |
| N08 | C09 | C10 | H19 | 31.2° | 55.0° |
| N08 | C09 | C32 | H31 | 157.0° | 55.0° |
| N08 | C09 | C32 | H32 | 39.2° | 175.0° |
| N35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C34 | N35 | C36 | H40 | 180.0° | 179.9° |
| N35 | C34 | C33 | C32 | 179.9° | 180.0° |
| N35 | C34 | C33 | C37 | 0.0° | 0.3° |
| C34 | N35 | C36 | C41 | 180.0° | 179.8° |
| C34 | N35 | C36 | C37 | 0.1° | 0.0° |
| C33 | C34 | N35 | C36 | 0.1° | 0.1° |
| C34 | C33 | C32 | C37 | 179.9° | 179.6° |
| C34 | C33 | C37 | C36 | 0.0° | 0.3° |
| C34 | C33 | C32 | C09 | 104.6° | 94.7° |
| C34 | C33 | C37 | C38 | 180.0° | 179.8° |
| C34 | C33 | C32 | H31 | 134.3° | 145.3° |
| C34 | C33 | C32 | H32 | 16.5° | 25.3° |
| C33 | C34 | N35 | H40 | 179.9° | 180.0° |
| N35 | C36 | C37 | C33 | 0.0° | 0.2° |
| N35 | C36 | C41 | C37 | 179.9° | 179.7° |
| N35 | C36 | C41 | C40 | 179.9° | 179.8° |
| N35 | C36 | C37 | C38 | 180.0° | 179.9° |
| C36 | N35 | C34 | H33 | 179.9° | 179.8° |
| N35 | C36 | C41 | H37 | 0.1° | 0.3° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C13 | C12 | H2 | 121.1° | 120.0° |
| C14 | C13 | C12 | H3 | 121.1° | 120.0° |
| C14 | C13 | C12 | S11 | 169.4° | 174.2° |
| C14 | C13 | C12 | C20 | 42.4° | 65.8° |
| C14 | C13 | C12 | H1 | 76.7° | 54.2° |
| C14 | C13 | H2 | H3 | 116.6° | 120.0° |
| C13 | C14 | C15 | H4 | 0.4° | 0.1° |
| C13 | C14 | C19 | H20 | 0.4° | 0.2° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 100.2° | 95.8° |
| C15 | C14 | C13 | H2 | 138.8° | 24.2° |
| C15 | C14 | C13 | H3 | 20.9° | 144.2° |
| C14 | C15 | C16 | H5 | 179.8° | 180.0° |
| C15 | C14 | C19 | H20 | 179.5° | 180.0° |
| C15 | C16 | C17 | H6 | 179.8° | 180.0° |
| C32 | C33 | C37 | C36 | 180.0° | 180.0° |
| C33 | C32 | C09 | H31 | 121.1° | 120.0° |
| C33 | C32 | C09 | H32 | 121.1° | 120.0° |
| C33 | C32 | C09 | C10 | 151.4° | 175.0° |
| C32 | C33 | C37 | C38 | 0.1° | 0.1° |
| C33 | C32 | C09 | H17 | 35.7° | 55.0° |
| C33 | C32 | H31 | H32 | 116.5° | 120.0° |
| C32 | C33 | C34 | H33 | 0.1° | 0.0° |
| C33 | C37 | C36 | C41 | 180.0° | 180.0° |
| C33 | C37 | C36 | C38 | 180.0° | 179.9° |
| C37 | C33 | C32 | C09 | 75.3° | 85.0° |
| C33 | C37 | C38 | C39 | 180.0° | 180.0° |
| C37 | C33 | C32 | H31 | 45.8° | 35.0° |
| C37 | C33 | C32 | H32 | 163.6° | 155.1° |
| C37 | C33 | C34 | H33 | 180.0° | 179.7° |
| C33 | C37 | C38 | H34 | 0.0° | 0.1° |
| C13 | C12 | S11 | C20 | 129.8° | 120.0° |
| C13 | C12 | S11 | H1 | 115.6° | 120.1° |
| C13 | C12 | C20 | H1 | 118.9° | 120.1° |
| C13 | C12 | S11 | C10 | 112.8° | 68.0° |
| C13 | C12 | C20 | N22 | 115.2° | 85.0° |
| C13 | C12 | C20 | O21 | 63.6° | 95.0° |
| C12 | C13 | H2 | H3 | 116.6° | 120.0° |
| C36 | C41 | C40 | H37 | 180.0° | 179.9° |
| C41 | C36 | C37 | C38 | 0.0° | 0.1° |
| C36 | C41 | C40 | C39 | 0.0° | 0.1° |
| C36 | C41 | C40 | H36 | 180.0° | 180.0° |
| C41 | C36 | N35 | H40 | 0.0° | 0.1° |
| C37 | C36 | C41 | C40 | 0.0° | 0.1° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C36 | C37 | C38 | H34 | 180.0° | 180.0° |
| C37 | C36 | C41 | H37 | 180.0° | 180.0° |
| C37 | C36 | N35 | H40 | 179.9° | 179.8° |
| C32 | C09 | C10 | H17 | 115.7° | 120.0° |
| C32 | C09 | C10 | S11 | 143.4° | 175.0° |
| C32 | C09 | C10 | H18 | 23.0° | 55.0° |
| C32 | C09 | C10 | H19 | 96.2° | 65.0° |
| C09 | C32 | H31 | H32 | 116.5° | 120.0° |
| C32 | C09 | N08 | H38 | 156.3° | 120.0° |
| C09 | C10 | S11 | C12 | 12.1° | 175.2° |
| C09 | C10 | S11 | H18 | 120.4° | 120.0° |
| C09 | C10 | S11 | H19 | 120.4° | 120.0° |
| C09 | C10 | H18 | H19 | 118.8° | 120.0° |
| C10 | C09 | C32 | H31 | 30.2° | 65.0° |
| C10 | C09 | C32 | H32 | 87.5° | 55.0° |
| C10 | C09 | N08 | H38 | 29.7° | 120.0° |
| C41 | C40 | C39 | H36 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.0° | 0.0° |
| C41 | C40 | C39 | H35 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H34 | 180.0° | 180.0° |
| C37 | C38 | C39 | H35 | 180.0° | 180.0° |
| S11 | C12 | C20 | H1 | 112.5° | 119.9° |
| S11 | C12 | C20 | N22 | 116.3° | 155.0° |
| S11 | C12 | C20 | O21 | 65.0° | 25.0° |
| S11 | C12 | C13 | H2 | 69.6° | 65.7° |
| S11 | C12 | C13 | H3 | 48.3° | 54.2° |
| C12 | S11 | C10 | H18 | 132.5° | 55.1° |
| C12 | S11 | C10 | H19 | 108.3° | 64.8° |
| C20 | C12 | S11 | C10 | 117.4° | 172.0° |
| C12 | C20 | N22 | O21 | 178.8° | 180.0° |
| C12 | C20 | N22 | C23 | 167.6° | 180.0° |
| C20 | C12 | C13 | H2 | 163.4° | 54.2° |
| C20 | C12 | C13 | H3 | 78.7° | 174.2° |
| C12 | C20 | N22 | H39 | 12.4° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 0.0° | 0.0° |
| C28 | C27 | C26 | C25 | 179.7° | 180.0° |
| C28 | C27 | C26 | C31 | 0.2° | 0.3° |
| C27 | C28 | C29 | H29 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C28 | C29 | N30 | H29 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 0.0° | 0.3° |
| C29 | C28 | C27 | H27 | 179.9° | 179.9° |
| C10 | S11 | C12 | H1 | 2.8° | 52.0° |
| S11 | C10 | C09 | H17 | 27.7° | 55.0° |
| S11 | C10 | H18 | H19 | 118.8° | 120.0° |
| C27 | C26 | C25 | C24 | 58.9° | 89.7° |
| C27 | C26 | C25 | C31 | 179.5° | 179.7° |
| C27 | C26 | C31 | N30 | 0.2° | 0.6° |
| C27 | C26 | C25 | H25 | 180.0° | 150.3° |
| C27 | C26 | C25 | H26 | 62.1° | 30.3° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | C26 | C31 | H30 | 179.8° | 179.7° |
| C40 | C39 | C38 | H35 | 180.0° | 180.0° |
| C40 | C39 | C38 | H34 | 180.0° | 180.0° |
| C39 | C40 | C41 | H37 | 180.0° | 180.0° |
| C20 | N22 | C23 | H39 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 72.4° | 180.0° |
| N22 | C20 | C12 | H1 | 3.8° | 35.0° |
| C20 | N22 | C23 | H21 | 166.7° | 60.0° |
| C20 | N22 | C23 | H22 | 48.5° | 60.0° |
| C23 | N22 | C20 | O21 | 11.2° | 0.0° |
| N22 | C23 | C24 | C25 | 151.3° | 180.0° |
| N22 | C23 | C24 | H21 | 120.9° | 120.0° |
| N22 | C23 | C24 | H22 | 120.9° | 120.0° |
| N22 | C23 | H21 | H22 | 117.2° | 120.0° |
| N22 | C23 | C24 | H23 | 30.3° | 60.0° |
| N22 | C23 | C24 | H24 | 87.7° | 60.0° |
| O21 | C20 | C12 | H1 | 177.5° | 144.9° |
| O21 | C20 | N22 | H39 | 168.8° | 180.0° |
| C38 | C39 | C40 | H36 | 180.0° | 180.0° |
| C29 | N30 | C31 | C26 | 0.1° | 0.6° |
| N30 | C29 | C28 | H28 | 180.0° | 179.9° |
| C29 | N30 | C31 | H30 | 179.8° | 179.7° |
| C25 | C24 | C23 | H23 | 121.0° | 120.0° |
| C25 | C24 | C23 | H24 | 121.0° | 120.0° |
| C24 | C25 | C26 | H25 | 121.1° | 120.0° |
| C24 | C25 | C26 | H26 | 121.1° | 120.0° |
| C24 | C25 | C26 | C31 | 120.6° | 90.0° |
| C25 | C24 | C23 | H21 | 30.4° | 60.0° |
| C25 | C24 | C23 | H22 | 87.8° | 60.0° |
| C25 | C24 | H23 | H24 | 116.8° | 120.1° |
| C24 | C25 | H25 | H26 | 116.7° | 120.1° |
| C23 | C24 | C25 | C26 | 40.7° | 180.0° |
| C24 | C23 | H21 | H22 | 117.1° | 120.0° |
| C23 | C24 | H23 | H24 | 116.8° | 119.9° |
| C23 | C24 | C25 | H25 | 80.4° | 60.0° |
| C23 | C24 | C25 | H26 | 161.8° | 60.0° |
| C24 | C23 | N22 | H39 | 107.6° | 0.0° |
| C25 | C26 | C31 | N30 | 179.8° | 179.7° |
| C26 | C25 | C24 | H23 | 80.3° | 60.0° |
| C26 | C25 | C24 | H24 | 161.7° | 60.0° |
| C26 | C25 | H25 | H26 | 116.7° | 120.0° |
| C25 | C26 | C27 | H27 | 0.3° | 0.1° |
| C25 | C26 | C31 | H30 | 0.2° | 0.0° |
| C26 | C31 | N30 | H30 | 180.0° | 179.7° |
| C31 | C26 | C25 | H25 | 0.5° | 30.0° |
| C31 | C26 | C25 | H26 | 118.4° | 150.0° |
| C31 | C26 | C27 | H27 | 179.8° | 179.8° |
| C31 | N30 | C29 | H29 | 180.0° | 179.7° |
| H1 | C12 | C13 | H2 | 44.3° | 174.3° |
| H1 | C12 | C13 | H3 | 162.2° | 65.8° |
| H4 | C15 | C16 | H5 | 0.2° | 0.0° |
| H5 | C16 | C17 | H6 | 0.2° | 0.0° |
| H6 | C17 | C18 | H7 | 0.2° | 0.3° |
| H7 | C18 | C19 | H20 | 0.2° | 0.6° |
| H8 | C01 | H9 | H10 | 119.9° | 120.0° |
| H11 | C03 | H12 | H13 | 120.0° | 120.0° |
| H14 | C04 | H15 | H16 | 120.0° | 120.0° |
| H17 | C09 | C10 | H18 | 92.7° | 65.0° |
| H17 | C09 | C10 | H19 | 148.1° | 175.0° |
| H17 | C09 | C32 | H31 | 85.4° | 175.0° |
| H17 | C09 | C32 | H32 | 156.8° | 65.0° |
| H17 | C09 | N08 | H38 | 86.6° | 0.0° |
| H21 | C23 | C24 | H23 | 90.6° | 60.1° |
| H21 | C23 | C24 | H24 | 151.4° | 180.0° |
| H21 | C23 | N22 | H39 | 13.3° | 120.0° |
| H22 | C23 | C24 | H23 | 151.2° | 180.0° |
| H22 | C23 | C24 | H24 | 33.2° | 60.0° |
| H22 | C23 | N22 | H39 | 131.5° | 120.0° |
| H23 | C24 | C25 | H25 | 158.6° | 180.0° |
| H23 | C24 | C25 | H26 | 40.7° | 60.0° |
| H24 | C24 | C25 | H25 | 40.6° | 60.0° |
| H24 | C24 | C25 | H26 | 77.2° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| H28 | C28 | C29 | H29 | 0.0° | 0.1° |
| H33 | C34 | N35 | H40 | 0.1° | 0.0° |
| H34 | C38 | C39 | H35 | 0.0° | 0.0° |
| H35 | C39 | C40 | H36 | 0.0° | 0.0° |
| H36 | C40 | C41 | H37 | 0.0° | 0.1° |
