X71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | N29 | sing | 1.32Å | 1.35Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | O05 | sing | 1.45Å | 1.46Å | |
| C32 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| O07 | C06 | doub | 1.22Å | 1.22Å | |
| N29 | C28 | doub | 1.32Å | 1.34Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | O05 | sing | 1.35Å | 1.39Å | |
| C06 | N08 | sing | 1.35Å | 1.42Å | |
| C34 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.49Å | |
| C09 | N08 | sing | 1.47Å | 1.50Å | |
| C09 | C33 | sing | 1.53Å | 1.57Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C10 | S11 | sing | 1.81Å | 1.89Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N23 | sing | 1.47Å | 1.49Å | |
| S11 | C12 | sing | 1.81Å | 1.89Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| N23 | C21 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C21 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.60Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | O22 | doub | 1.21Å | 1.26Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | 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 | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| N08 | H40 | sing | 0.97Å | 1.00Å | |
| N23 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 120.2° | 120.0° |
| C36 | C37 | C38 | 118.8° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.6° | 120.0° |
| C36 | C35 | C34 | 121.3° | 120.0° |
| C36 | C35 | H35 | 119.3° | 120.0° |
| C35 | C36 | H36 | 119.9° | 120.0° |
| C01 | C02 | C03 | 111.1° | 109.5° |
| C01 | C02 | C04 | 107.4° | 109.5° |
| C01 | C02 | O05 | 109.9° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C30 | C31 | C32 | 118.6° | 119.2° |
| C31 | C30 | N29 | 122.6° | 120.8° |
| C31 | C30 | H30 | 118.7° | 119.7° |
| C30 | C31 | H31 | 120.7° | 120.4° |
| C31 | C32 | C27 | 120.3° | 118.4° |
| C32 | C31 | H31 | 120.7° | 120.4° |
| C31 | C32 | H32 | 119.8° | 120.9° |
| C30 | N29 | C28 | 117.4° | 121.7° |
| N29 | C30 | H30 | 118.7° | 119.6° |
| C03 | C02 | C04 | 106.7° | 109.5° |
| C03 | C02 | O05 | 112.8° | 109.4° |
| C02 | C03 | H16 | 109.5° | 109.4° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C03 | H18 | 109.5° | 109.5° |
| C37 | C38 | C39 | 120.5° | 120.0° |
| C38 | C37 | H37 | 120.6° | 120.0° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| C35 | C34 | C39 | 117.7° | 120.0° |
| C35 | C34 | C33 | 120.2° | 120.0° |
| C34 | C35 | H35 | 119.3° | 120.0° |
| C04 | C02 | O05 | 108.7° | 109.5° |
| C02 | C04 | H19 | 109.5° | 109.5° |
| C02 | C04 | H20 | 109.5° | 109.5° |
| C02 | C04 | H21 | 109.4° | 109.5° |
| C02 | O05 | C06 | 120.4° | 117.0° |
| C32 | C27 | C28 | 116.7° | 119.2° |
| C32 | C27 | C26 | 122.9° | 120.4° |
| C27 | C32 | H32 | 119.9° | 120.8° |
| O07 | C06 | O05 | 122.0° | 120.0° |
| O07 | C06 | N08 | 120.6° | 120.0° |
| N29 | C28 | C27 | 124.4° | 120.8° |
| N29 | C28 | H29 | 117.8° | 119.6° |
| C38 | C39 | C34 | 121.4° | 120.0° |
| C39 | C38 | H38 | 119.7° | 120.0° |
| C38 | C39 | H39 | 119.3° | 120.0° |
| O05 | C06 | N08 | 117.3° | 120.0° |
| C06 | N08 | C09 | 120.1° | 120.0° |
| C06 | N08 | H40 | 119.9° | 120.0° |
| C39 | C34 | C33 | 122.1° | 120.0° |
| C34 | C39 | H39 | 119.3° | 120.0° |
| C34 | C33 | C09 | 114.9° | 109.5° |
| C34 | C33 | H33 | 108.1° | 109.5° |
| C34 | C33 | H34 | 108.1° | 109.5° |
| C28 | C27 | C26 | 120.4° | 120.4° |
| C27 | C28 | H29 | 117.8° | 119.6° |
| C27 | C26 | C25 | 114.7° | 109.5° |
| C27 | C26 | H27 | 108.2° | 109.5° |
| C27 | C26 | H28 | 108.2° | 109.4° |
| N08 | C09 | C33 | 109.8° | 109.5° |
| N08 | C09 | C10 | 113.0° | 109.5° |
| N08 | C09 | H22 | 108.9° | 109.5° |
| C09 | N08 | H40 | 119.9° | 120.0° |
| C33 | C09 | C10 | 108.9° | 109.5° |
| C33 | C09 | H22 | 108.1° | 109.4° |
| C09 | C33 | H33 | 108.1° | 109.4° |
| C09 | C33 | H34 | 108.1° | 109.5° |
| C09 | C10 | S11 | 113.4° | 109.5° |
| C09 | C10 | H11 | 108.5° | 109.5° |
| C09 | C10 | H12 | 108.5° | 109.5° |
| C10 | C09 | H22 | 108.0° | 109.5° |
| C10 | S11 | C12 | 113.1° | 103.0° |
| S11 | C10 | H11 | 108.5° | 109.4° |
| S11 | C10 | H12 | 108.5° | 109.4° |
| C26 | C25 | C24 | 116.9° | 109.5° |
| C26 | C25 | H25 | 107.6° | 109.5° |
| C26 | C25 | H26 | 107.6° | 109.5° |
| C25 | C26 | H27 | 108.1° | 109.4° |
| C25 | C26 | H28 | 108.1° | 109.5° |
| C25 | C24 | N23 | 112.6° | 109.5° |
| C25 | C24 | H23 | 108.7° | 109.5° |
| C25 | C24 | H24 | 108.7° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.4° |
| C24 | C25 | H26 | 107.6° | 109.5° |
| C24 | N23 | C21 | 124.6° | 120.0° |
| N23 | C24 | H23 | 108.7° | 109.5° |
| N23 | C24 | H24 | 108.7° | 109.4° |
| C24 | N23 | H41 | 117.7° | 120.0° |
| S11 | C12 | C13 | 113.0° | 109.4° |
| S11 | C12 | H9 | 108.6° | 109.5° |
| S11 | C12 | H10 | 108.6° | 109.4° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C17 | C16 | C15 | 121.4° | 120.0° |
| C16 | C17 | H3 | 119.8° | 120.0° |
| C17 | C16 | H7 | 119.3° | 120.0° |
| C17 | C18 | C19 | 118.9° | 120.0° |
| C18 | C17 | H3 | 119.8° | 120.0° |
| C17 | C18 | H6 | 120.6° | 120.0° |
| C16 | C15 | C14 | 123.3° | 120.0° |
| C16 | C15 | C20 | 116.8° | 120.0° |
| C15 | C16 | H7 | 119.3° | 120.0° |
| N23 | C21 | C13 | 125.9° | 120.0° |
| N23 | C21 | O22 | 115.8° | 120.0° |
| C21 | N23 | H41 | 117.7° | 120.0° |
| C12 | C13 | C21 | 110.7° | 109.4° |
| C12 | C13 | C14 | 114.8° | 109.5° |
| C12 | C13 | H8 | 106.8° | 109.5° |
| C13 | C12 | H9 | 108.6° | 109.5° |
| C13 | C12 | H10 | 108.6° | 109.5° |
| C21 | C13 | C14 | 111.0° | 109.4° |
| C13 | C21 | O22 | 118.3° | 120.0° |
| C21 | C13 | H8 | 106.8° | 109.5° |
| C13 | C14 | C15 | 123.2° | 109.5° |
| C13 | C14 | H1 | 106.0° | 109.5° |
| C13 | C14 | H2 | 106.0° | 109.5° |
| C14 | C13 | H8 | 106.2° | 109.5° |
| C18 | C19 | C20 | 120.5° | 120.0° |
| C18 | C19 | H5 | 119.7° | 120.0° |
| C19 | C18 | H6 | 120.6° | 120.0° |
| C14 | C15 | C20 | 119.9° | 120.0° |
| C15 | C14 | H1 | 105.9° | 109.5° |
| C15 | C14 | H2 | 105.9° | 109.4° |
| C15 | C20 | C19 | 122.0° | 120.0° |
| C15 | C20 | H4 | 119.0° | 120.1° |
| C19 | C20 | H4 | 119.0° | 119.9° |
| C20 | C19 | H5 | 119.8° | 120.1° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.4° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H16 | C03 | H17 | 109.5° | 109.4° |
| H16 | C03 | H18 | 109.5° | 109.4° |
| H17 | C03 | H18 | 109.4° | 109.5° |
| H19 | C04 | H20 | 109.5° | 109.4° |
| H19 | C04 | H21 | 109.5° | 109.5° |
| H20 | C04 | H21 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.1° | 0.1° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C37 | C36 | C35 | H35 | 179.9° | 180.0° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.1° |
| C36 | C35 | C34 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | C39 | 0.4° | 0.1° |
| C36 | C35 | C34 | C33 | 179.9° | 179.8° |
| C35 | C36 | C37 | H37 | 179.9° | 179.9° |
| C01 | C02 | C03 | C04 | 116.8° | 120.1° |
| C01 | C02 | C03 | O05 | 123.9° | 120.0° |
| C01 | C02 | C04 | O05 | 118.9° | 120.0° |
| C01 | C02 | O05 | C06 | 48.2° | 60.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.1° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | C03 | H16 | 180.0° | 60.0° |
| C01 | C02 | C03 | H17 | 60.0° | 180.0° |
| C01 | C02 | C03 | H18 | 60.0° | 59.9° |
| C01 | C02 | C04 | H19 | 180.0° | 60.0° |
| C01 | C02 | C04 | H20 | 60.0° | 180.0° |
| C01 | C02 | C04 | H21 | 60.0° | 60.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.2° |
| C31 | C30 | N29 | H30 | 180.0° | 179.4° |
| C30 | C31 | C32 | C27 | 0.1° | 0.5° |
| C31 | C30 | N29 | C28 | 0.0° | 0.6° |
| C30 | C31 | C32 | H32 | 179.8° | 179.5° |
| C32 | C31 | C30 | N29 | 0.1° | 0.8° |
| C31 | C32 | C27 | H32 | 180.0° | 180.0° |
| C31 | C32 | C27 | C28 | 0.4° | 0.0° |
| C31 | C32 | C27 | C26 | 179.5° | 179.8° |
| C32 | C31 | C30 | H30 | 179.9° | 179.8° |
| C30 | N29 | C28 | C27 | 0.3° | 0.1° |
| C30 | N29 | C28 | H29 | 179.7° | 180.0° |
| N29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C03 | C02 | C04 | O05 | 121.9° | 120.0° |
| C03 | C02 | O05 | C06 | 76.3° | 60.0° |
| C03 | C02 | C01 | H13 | 180.0° | 60.1° |
| C03 | C02 | C01 | H14 | 60.0° | 60.0° |
| C03 | C02 | C01 | H15 | 60.0° | 180.0° |
| C02 | C03 | H16 | H17 | 120.0° | 120.0° |
| C02 | C03 | H16 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H18 | 120.0° | 120.1° |
| C03 | C02 | C04 | H19 | 60.8° | 179.9° |
| C03 | C02 | C04 | H20 | 59.2° | 60.0° |
| C03 | C02 | C04 | H21 | 179.2° | 60.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C34 | 0.7° | 0.0° |
| C38 | C37 | C36 | H36 | 179.9° | 180.0° |
| C37 | C38 | C39 | H39 | 179.3° | 179.8° |
| C35 | C34 | C39 | C38 | 0.7° | 0.0° |
| C35 | C34 | C39 | C33 | 179.7° | 179.7° |
| C35 | C34 | C33 | C09 | 25.4° | 89.7° |
| C35 | C34 | C33 | H33 | 146.2° | 150.3° |
| C35 | C34 | C33 | H34 | 95.4° | 30.3° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C34 | C39 | H39 | 179.3° | 179.7° |
| C04 | C02 | O05 | C06 | 165.6° | 180.0° |
| C04 | C02 | C01 | H13 | 63.7° | 60.0° |
| C04 | C02 | C01 | H14 | 56.4° | 179.9° |
| C04 | C02 | C01 | H15 | 176.3° | 60.0° |
| C04 | C02 | C03 | H16 | 63.2° | 60.0° |
| C04 | C02 | C03 | H17 | 176.8° | 60.0° |
| C04 | C02 | C03 | H18 | 56.8° | 180.0° |
| C02 | C04 | H19 | H20 | 120.0° | 120.0° |
| C02 | C04 | H19 | H21 | 120.0° | 120.0° |
| C02 | C04 | H20 | H21 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 35.3° | 0.0° |
| C02 | O05 | C06 | N08 | 145.2° | 180.0° |
| O05 | C02 | C01 | H13 | 54.5° | 180.0° |
| O05 | C02 | C01 | H14 | 174.5° | 59.9° |
| O05 | C02 | C01 | H15 | 65.5° | 60.0° |
| O05 | C02 | C03 | H16 | 56.1° | 180.0° |
| O05 | C02 | C03 | H17 | 63.9° | 60.0° |
| O05 | C02 | C03 | H18 | 176.1° | 60.0° |
| O05 | C02 | C04 | H19 | 61.1° | 60.0° |
| O05 | C02 | C04 | H20 | 178.9° | 60.0° |
| O05 | C02 | C04 | H21 | 58.9° | 180.0° |
| C32 | C27 | C28 | N29 | 0.5° | 0.3° |
| C32 | C27 | C28 | C26 | 179.1° | 179.7° |
| C32 | C27 | C26 | C25 | 101.1° | 90.3° |
| C32 | C27 | C26 | H27 | 19.7° | 149.7° |
| C32 | C27 | C26 | H28 | 138.2° | 29.7° |
| C32 | C27 | C28 | H29 | 179.5° | 179.7° |
| C27 | C32 | C31 | H31 | 179.9° | 179.7° |
| O07 | C06 | O05 | N08 | 179.4° | 180.0° |
| O07 | C06 | N08 | C09 | 36.1° | 0.0° |
| O07 | C06 | N08 | H40 | 143.9° | 180.0° |
| N29 | C28 | C27 | H29 | 180.0° | 180.0° |
| N29 | C28 | C27 | C26 | 179.6° | 180.0° |
| C28 | N29 | C30 | H30 | 180.0° | 180.0° |
| C38 | C39 | C34 | H39 | 180.0° | 179.8° |
| C38 | C39 | C34 | C33 | 179.6° | 179.7° |
| C39 | C38 | C37 | H37 | 179.7° | 179.9° |
| O05 | C06 | N08 | C09 | 144.5° | 180.0° |
| O05 | C06 | N08 | H40 | 35.6° | 0.0° |
| C06 | N08 | C09 | H40 | 180.0° | 180.0° |
| C06 | N08 | C09 | C33 | 104.9° | 60.0° |
| C06 | N08 | C09 | C10 | 133.3° | 60.0° |
| C06 | N08 | C09 | H22 | 13.3° | 180.0° |
| C39 | C34 | C33 | C09 | 154.9° | 90.0° |
| C39 | C34 | C33 | H33 | 34.1° | 30.0° |
| C39 | C34 | C33 | H34 | 84.3° | 150.0° |
| C39 | C34 | C35 | H35 | 179.6° | 180.0° |
| C34 | C39 | C38 | H38 | 179.4° | 180.0° |
| C34 | C33 | C09 | N08 | 149.3° | 65.0° |
| C34 | C33 | C09 | H33 | 120.8° | 120.0° |
| C34 | C33 | C09 | H34 | 120.8° | 120.0° |
| C34 | C33 | C09 | C10 | 86.5° | 175.0° |
| C34 | C33 | C09 | H22 | 30.6° | 55.0° |
| C34 | C33 | H33 | H34 | 117.5° | 120.0° |
| C33 | C34 | C35 | H35 | 0.1° | 0.3° |
| C33 | C34 | C39 | H39 | 0.4° | 0.0° |
| C28 | C27 | C26 | C25 | 78.0° | 90.0° |
| C28 | C27 | C26 | H27 | 161.2° | 30.0° |
| C28 | C27 | C26 | H28 | 42.8° | 150.0° |
| C28 | C27 | C32 | H32 | 179.6° | 180.0° |
| C27 | C26 | C25 | H27 | 120.8° | 120.1° |
| C27 | C26 | C25 | H28 | 120.8° | 120.0° |
| C27 | C26 | C25 | C24 | 107.1° | 179.9° |
| C27 | C26 | C25 | H25 | 131.9° | 60.0° |
| C27 | C26 | C25 | H26 | 14.0° | 60.0° |
| C27 | C26 | H27 | H28 | 117.6° | 120.0° |
| C26 | C27 | C28 | H29 | 0.3° | 0.0° |
| C26 | C27 | C32 | H32 | 0.5° | 0.3° |
| N08 | C09 | C33 | C10 | 124.3° | 120.0° |
| N08 | C09 | C33 | H22 | 118.6° | 120.0° |
| N08 | C09 | C10 | H22 | 120.5° | 120.0° |
| N08 | C09 | C10 | S11 | 11.9° | 65.0° |
| N08 | C09 | C10 | H11 | 108.7° | 175.0° |
| N08 | C09 | C10 | H12 | 132.4° | 55.0° |
| N08 | C09 | C33 | H33 | 89.9° | 55.0° |
| N08 | C09 | C33 | H34 | 28.5° | 175.0° |
| C33 | C09 | C10 | H22 | 117.1° | 120.0° |
| C33 | C09 | C10 | S11 | 110.5° | 175.0° |
| C33 | C09 | C10 | H11 | 128.9° | 55.0° |
| C33 | C09 | C10 | H12 | 10.1° | 65.0° |
| C09 | C33 | H33 | H34 | 117.5° | 120.0° |
| C33 | C09 | N08 | H40 | 75.1° | 120.0° |
| C09 | C10 | S11 | H11 | 120.6° | 120.0° |
| C09 | C10 | S11 | H12 | 120.6° | 120.0° |
| C09 | C10 | S11 | C12 | 142.4° | 180.0° |
| C09 | C10 | H11 | H12 | 118.2° | 120.1° |
| C10 | C09 | C33 | H33 | 34.3° | 65.0° |
| C10 | C09 | C33 | H34 | 152.8° | 55.0° |
| C10 | C09 | N08 | H40 | 46.7° | 120.0° |
| C10 | S11 | C12 | C13 | 7.7° | 180.0° |
| C10 | S11 | C12 | H9 | 128.2° | 59.9° |
| C10 | S11 | C12 | H10 | 112.8° | 60.1° |
| S11 | C10 | H11 | H12 | 118.2° | 119.9° |
| S11 | C10 | C09 | H22 | 132.4° | 55.0° |
| C26 | C25 | C24 | H25 | 121.1° | 120.0° |
| C26 | C25 | C24 | H26 | 121.1° | 120.1° |
| C26 | C25 | C24 | N23 | 144.9° | 180.0° |
| C26 | C25 | C24 | H23 | 94.6° | 60.0° |
| C26 | C25 | C24 | H24 | 24.4° | 60.0° |
| C26 | C25 | H25 | H26 | 116.6° | 120.1° |
| C25 | C26 | H27 | H28 | 117.6° | 120.0° |
| C25 | C24 | N23 | H23 | 120.4° | 120.1° |
| C25 | C24 | N23 | H24 | 120.5° | 120.0° |
| C25 | C24 | N23 | C21 | 138.6° | 180.0° |
| C25 | C24 | H23 | H24 | 118.6° | 120.0° |
| C24 | C25 | H25 | H26 | 116.6° | 120.0° |
| C24 | C25 | C26 | H27 | 13.7° | 60.0° |
| C24 | C25 | C26 | H28 | 132.2° | 60.0° |
| C25 | C24 | N23 | H41 | 41.3° | 0.1° |
| C24 | N23 | C21 | H41 | 180.0° | 179.9° |
| C24 | N23 | C21 | C13 | 2.6° | 180.0° |
| C24 | N23 | C21 | O22 | 177.3° | 0.1° |
| N23 | C24 | H23 | H24 | 118.6° | 119.9° |
| N23 | C24 | C25 | H25 | 23.8° | 60.1° |
| N23 | C24 | C25 | H26 | 94.0° | 59.9° |
| S11 | C12 | C13 | H9 | 120.5° | 120.0° |
| S11 | C12 | C13 | H10 | 120.5° | 119.9° |
| S11 | C12 | C13 | C21 | 74.6° | 174.5° |
| S11 | C12 | C13 | C14 | 158.7° | 65.6° |
| S11 | C12 | C13 | H8 | 41.3° | 54.4° |
| S11 | C12 | H9 | H10 | 118.4° | 120.0° |
| C12 | S11 | C10 | H11 | 97.0° | 60.0° |
| C12 | S11 | C10 | H12 | 21.8° | 59.9° |
| C16 | C17 | C18 | H3 | 180.0° | 179.5° |
| C17 | C16 | C15 | H7 | 180.0° | 179.5° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C16 | C15 | C14 | 179.5° | 179.7° |
| C17 | C16 | C15 | C20 | 0.4° | 0.5° |
| C16 | C17 | C18 | H6 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.5° |
| C17 | C18 | C19 | H6 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C17 | C18 | C19 | H5 | 180.0° | 180.0° |
| C18 | C17 | C16 | H7 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 2.1° | 88.2° |
| C16 | C15 | C14 | C20 | 180.0° | 179.8° |
| C16 | C15 | C20 | C19 | 0.3° | 0.3° |
| C16 | C15 | C14 | H1 | 119.8° | 31.8° |
| C16 | C15 | C14 | H2 | 124.0° | 151.8° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C16 | C15 | C20 | H4 | 179.7° | 179.8° |
| N23 | C21 | C13 | C12 | 139.2° | 180.0° |
| N23 | C21 | C13 | O22 | 179.9° | 179.9° |
| N23 | C21 | C13 | C14 | 92.0° | 60.1° |
| N23 | C21 | C13 | H8 | 23.3° | 59.9° |
| C21 | N23 | C24 | H23 | 100.9° | 59.9° |
| C21 | N23 | C24 | H24 | 18.2° | 60.0° |
| C12 | C13 | C21 | C14 | 128.7° | 119.9° |
| C12 | C13 | C21 | H8 | 115.9° | 120.1° |
| C12 | C13 | C14 | H8 | 117.7° | 120.0° |
| C12 | C13 | C21 | O22 | 40.7° | 0.1° |
| C12 | C13 | C14 | C15 | 52.8° | 62.7° |
| C12 | C13 | C14 | H1 | 174.6° | 177.3° |
| C12 | C13 | C14 | H2 | 69.2° | 57.3° |
| C13 | C12 | H9 | H10 | 118.4° | 120.0° |
| C21 | C13 | C14 | H8 | 115.8° | 120.0° |
| C21 | C13 | C14 | C15 | 179.3° | 57.3° |
| C21 | C13 | C14 | H1 | 58.9° | 62.7° |
| C21 | C13 | C14 | H2 | 57.4° | 177.2° |
| C21 | C13 | C12 | H9 | 45.9° | 65.5° |
| C21 | C13 | C12 | H10 | 164.8° | 54.6° |
| C13 | C21 | N23 | H41 | 177.4° | 0.1° |
| C14 | C13 | C21 | O22 | 88.1° | 120.0° |
| C13 | C14 | C15 | H1 | 121.9° | 120.0° |
| C13 | C14 | C15 | H2 | 121.9° | 120.0° |
| C13 | C14 | C15 | C20 | 177.9° | 92.0° |
| C13 | C14 | H1 | H2 | 113.8° | 120.0° |
| C14 | C13 | C12 | H9 | 80.8° | 54.5° |
| C14 | C13 | C12 | H10 | 38.1° | 174.5° |
| C18 | C19 | C20 | C15 | 0.1° | 0.0° |
| C18 | C19 | C20 | H5 | 180.0° | 180.0° |
| C19 | C18 | C17 | H3 | 179.9° | 179.7° |
| C18 | C19 | C20 | H4 | 179.9° | 179.9° |
| O22 | C21 | C13 | H8 | 156.6° | 120.0° |
| O22 | C21 | N23 | H41 | 2.7° | 180.0° |
| C14 | C15 | C20 | C19 | 179.6° | 179.9° |
| C15 | C14 | H1 | H2 | 113.8° | 119.9° |
| C14 | C15 | C20 | H4 | 0.4° | 0.0° |
| C14 | C15 | C16 | H7 | 0.5° | 0.2° |
| C15 | C14 | C13 | H8 | 65.0° | 177.3° |
| C15 | C20 | C19 | H4 | 180.0° | 180.0° |
| C20 | C15 | C14 | H1 | 60.2° | 148.0° |
| C20 | C15 | C14 | H2 | 56.0° | 28.0° |
| C15 | C20 | C19 | H5 | 179.9° | 180.0° |
| C20 | C15 | C16 | H7 | 179.6° | 180.0° |
| C20 | C19 | C18 | H6 | 180.0° | 179.8° |
| H1 | C14 | C13 | H8 | 56.9° | 57.3° |
| H2 | C14 | C13 | H8 | 173.1° | 62.7° |
| H3 | C17 | C18 | H6 | 0.1° | 0.5° |
| H3 | C17 | C16 | H7 | 0.3° | 0.5° |
| H4 | C20 | C19 | H5 | 0.1° | 0.0° |
| H5 | C19 | C18 | H6 | 0.0° | 0.2° |
| H8 | C13 | C12 | H9 | 161.8° | 174.5° |
| H8 | C13 | C12 | H10 | 79.2° | 65.5° |
| H11 | C10 | C09 | H22 | 11.8° | 65.0° |
| H12 | C10 | C09 | H22 | 107.0° | 175.0° |
| H13 | C01 | H14 | H15 | 120.0° | 119.9° |
| H16 | C03 | H17 | H18 | 120.0° | 120.0° |
| H19 | C04 | H20 | H21 | 120.0° | 120.0° |
| H22 | C09 | C33 | H33 | 151.5° | 174.9° |
| H22 | C09 | C33 | H34 | 90.1° | 65.0° |
| H22 | C09 | N08 | H40 | 166.7° | 0.0° |
| H23 | C24 | C25 | H25 | 144.3° | 60.0° |
| H23 | C24 | C25 | H26 | 26.4° | 180.0° |
| H23 | C24 | N23 | H41 | 79.1° | 120.0° |
| H24 | C24 | C25 | H25 | 96.7° | 180.0° |
| H24 | C24 | C25 | H26 | 145.5° | 60.1° |
| H24 | C24 | N23 | H41 | 161.8° | 120.1° |
| H25 | C25 | C26 | H27 | 107.4° | 179.9° |
| H25 | C25 | C26 | H28 | 11.1° | 60.0° |
| H26 | C25 | C26 | H27 | 134.8° | 60.0° |
| H26 | C25 | C26 | H28 | 106.8° | 180.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.5° |
| H31 | C31 | C32 | H32 | 0.2° | 0.2° |
| H35 | C35 | C36 | H36 | 0.1° | 0.1° |
| H36 | C36 | C37 | H37 | 0.1° | 0.2° |
| H37 | C37 | C38 | H38 | 0.3° | 0.1° |
| H38 | C38 | C39 | H39 | 0.6° | 0.2° |
