S78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| C15 | N14 | sing | 1.47Å | 1.51Å | |
| C33 | C32 | doub | 1.39Å | 1.43Å | Aromatic |
| C33 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| O17 | C18 | sing | 1.36Å | 1.41Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.54Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C30 | sing | 1.40Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | O05 | sing | 1.45Å | 1.43Å | |
| C30 | N22 | sing | 1.38Å | 1.40Å | Aromatic |
| O07 | C06 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C34 | C12 | sing | 1.53Å | 1.43Å | |
| C34 | N08 | sing | 1.47Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C06 | O05 | sing | 1.35Å | 1.34Å | |
| C06 | N08 | sing | 1.35Å | 1.38Å | |
| N22 | C21 | sing | 1.37Å | 1.41Å | Aromatic |
| N22 | C23 | sing | 1.46Å | 1.47Å | |
| N08 | C09 | sing | 1.47Å | 1.51Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.60Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C24 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| N14 | H37 | sing | 1.01Å | 1.00Å | |
| N14 | H38 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | O17 | 108.2° | 109.5° |
| C16 | C15 | N14 | 111.0° | 109.5° |
| C16 | C15 | H5 | 109.1° | 109.5° |
| C16 | C15 | H6 | 109.1° | 109.5° |
| C15 | C16 | H25 | 109.8° | 109.5° |
| C15 | C16 | H26 | 109.8° | 109.5° |
| C16 | O17 | C18 | 117.6° | 117.0° |
| O17 | C16 | H25 | 109.8° | 109.4° |
| O17 | C16 | H26 | 109.8° | 109.5° |
| C15 | N14 | C13 | 115.9° | 109.5° |
| N14 | C15 | H5 | 109.1° | 109.4° |
| N14 | C15 | H6 | 109.1° | 109.4° |
| C15 | N14 | H37 | 107.8° | 109.5° |
| C15 | N14 | H38 | 107.9° | 109.4° |
| C32 | C33 | C18 | 120.5° | 120.3° |
| C33 | C32 | C31 | 122.6° | 120.7° |
| C33 | C32 | H33 | 118.7° | 119.7° |
| C32 | C33 | H34 | 119.8° | 119.8° |
| C33 | C18 | O17 | 121.5° | 120.2° |
| C33 | C18 | C19 | 118.7° | 119.5° |
| C18 | C33 | H34 | 119.8° | 119.8° |
| O17 | C18 | C19 | 119.8° | 120.3° |
| C32 | C31 | C30 | 117.3° | 120.0° |
| C32 | C31 | H32 | 121.4° | 119.9° |
| C31 | C32 | H33 | 118.7° | 119.6° |
| C04 | C02 | C01 | 109.3° | 109.5° |
| C04 | C02 | C03 | 111.8° | 109.5° |
| C04 | C02 | O05 | 111.4° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.4° |
| C02 | C04 | H18 | 109.4° | 109.5° |
| C02 | C04 | H19 | 109.5° | 109.5° |
| C18 | C19 | C30 | 119.3° | 120.0° |
| C18 | C19 | C20 | 134.2° | 133.9° |
| N14 | C13 | C12 | 107.9° | 109.5° |
| N14 | C13 | H3 | 109.9° | 109.5° |
| N14 | C13 | H4 | 109.9° | 109.5° |
| C13 | N14 | H37 | 107.9° | 109.5° |
| C13 | N14 | H38 | 107.8° | 109.5° |
| C31 | C30 | C19 | 121.6° | 119.5° |
| C31 | C30 | N22 | 130.3° | 133.3° |
| C30 | C31 | H32 | 121.4° | 120.0° |
| C30 | C19 | C20 | 106.5° | 106.1° |
| C19 | C30 | N22 | 108.0° | 107.2° |
| C19 | C20 | C21 | 108.0° | 107.0° |
| C19 | C20 | H7 | 126.0° | 126.5° |
| C01 | C02 | C03 | 107.3° | 109.4° |
| C01 | C02 | O05 | 107.0° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.4° | 109.4° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C03 | C02 | O05 | 109.7° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | O05 | C06 | 119.0° | 117.0° |
| C30 | N22 | C21 | 107.6° | 109.8° |
| C30 | N22 | C23 | 129.6° | 125.1° |
| O07 | C06 | O05 | 125.7° | 120.0° |
| O07 | C06 | N08 | 117.1° | 120.0° |
| C20 | C21 | N22 | 109.8° | 109.9° |
| C21 | C20 | H7 | 126.0° | 126.5° |
| C20 | C21 | H8 | 125.1° | 125.1° |
| C13 | C12 | C34 | 106.1° | 109.5° |
| C13 | C12 | C11 | 115.4° | 109.5° |
| C12 | C13 | H3 | 109.9° | 109.5° |
| C12 | C13 | H4 | 109.9° | 109.5° |
| C13 | C12 | H24 | 110.0° | 109.5° |
| C12 | C34 | N08 | 109.7° | 108.7° |
| C34 | C12 | C11 | 105.3° | 109.3° |
| C34 | C12 | H24 | 110.8° | 109.5° |
| C12 | C34 | H35 | 109.4° | 109.6° |
| C12 | C34 | H36 | 109.4° | 109.6° |
| C34 | N08 | C06 | 103.9° | 120.6° |
| C34 | N08 | C09 | 108.8° | 118.7° |
| N08 | C34 | H35 | 109.4° | 109.6° |
| N08 | C34 | H36 | 109.4° | 109.6° |
| C12 | C11 | C10 | 109.3° | 109.5° |
| C12 | C11 | H22 | 109.5° | 109.5° |
| C12 | C11 | H23 | 109.5° | 109.4° |
| C11 | C12 | H24 | 109.1° | 109.5° |
| O05 | C06 | N08 | 116.9° | 120.0° |
| C06 | N08 | C09 | 122.1° | 120.6° |
| C21 | N22 | C23 | 122.7° | 125.1° |
| N22 | C21 | H8 | 125.1° | 125.0° |
| N22 | C23 | C24 | 111.2° | 109.5° |
| N22 | C23 | H27 | 109.0° | 109.5° |
| N22 | C23 | H28 | 109.0° | 109.5° |
| N08 | C09 | C10 | 104.3° | 108.8° |
| N08 | C09 | H20 | 110.8° | 109.6° |
| N08 | C09 | H21 | 110.8° | 109.7° |
| C23 | C24 | C29 | 119.8° | 120.0° |
| C23 | C24 | C25 | 121.3° | 120.0° |
| C24 | C23 | H27 | 109.0° | 109.4° |
| C24 | C23 | H28 | 109.1° | 109.4° |
| C11 | C10 | C09 | 108.8° | 109.4° |
| C11 | C10 | H1 | 109.6° | 109.5° |
| C11 | C10 | H2 | 109.6° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C09 | C10 | H1 | 109.6° | 109.5° |
| C09 | C10 | H2 | 109.6° | 109.5° |
| C10 | C09 | H20 | 110.8° | 109.6° |
| C10 | C09 | H21 | 110.8° | 109.6° |
| C29 | C24 | C25 | 118.9° | 120.0° |
| C24 | C29 | C28 | 121.0° | 120.0° |
| C24 | C29 | H31 | 119.5° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C24 | C25 | H29 | 120.0° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.0° |
| C29 | C28 | H10 | 120.1° | 120.0° |
| C28 | C29 | H31 | 119.5° | 120.0° |
| C25 | C26 | C27 | 121.1° | 120.0° |
| C25 | C26 | H9 | 119.4° | 120.0° |
| C26 | C25 | H29 | 120.1° | 120.0° |
| C28 | C27 | C26 | 119.2° | 120.0° |
| C27 | C28 | H10 | 120.0° | 120.0° |
| C28 | C27 | H30 | 120.4° | 120.0° |
| C27 | C26 | H9 | 119.5° | 120.0° |
| C26 | C27 | H30 | 120.4° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.4° |
| H17 | C04 | H18 | 109.4° | 109.5° |
| H17 | C04 | H19 | 109.5° | 109.4° |
| H18 | C04 | H19 | 109.5° | 109.5° |
| H20 | C09 | H21 | 109.4° | 109.6° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.7° |
| H37 | N14 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | O17 | H25 | 119.8° | 120.0° |
| C15 | C16 | O17 | H26 | 119.8° | 120.1° |
| C16 | C15 | N14 | H5 | 120.2° | 120.0° |
| C16 | C15 | N14 | H6 | 120.2° | 120.0° |
| C15 | C16 | O17 | C18 | 145.7° | 180.0° |
| C16 | C15 | N14 | C13 | 116.5° | 180.0° |
| C16 | C15 | H5 | H6 | 119.3° | 120.1° |
| C15 | C16 | H25 | H26 | 120.6° | 120.0° |
| C16 | C15 | N14 | H37 | 4.4° | 60.0° |
| C16 | C15 | N14 | H38 | 122.6° | 60.0° |
| O17 | C16 | C15 | N14 | 29.6° | 65.0° |
| C16 | O17 | C18 | C33 | 22.8° | 0.1° |
| C16 | O17 | C18 | C19 | 158.1° | 180.0° |
| O17 | C16 | C15 | H5 | 90.6° | 175.0° |
| O17 | C16 | C15 | H6 | 149.9° | 54.9° |
| O17 | C16 | H25 | H26 | 120.6° | 120.0° |
| C15 | N14 | C13 | H37 | 120.9° | 120.0° |
| C15 | N14 | C13 | H38 | 120.9° | 120.0° |
| C15 | N14 | C13 | C12 | 115.1° | 180.0° |
| C15 | N14 | C13 | H3 | 4.6° | 60.0° |
| C15 | N14 | C13 | H4 | 125.1° | 59.9° |
| N14 | C15 | H5 | H6 | 119.3° | 120.0° |
| N14 | C15 | C16 | H25 | 90.1° | 175.0° |
| N14 | C15 | C16 | H26 | 149.4° | 55.0° |
| C15 | N14 | H37 | H38 | 117.1° | 120.0° |
| C32 | C33 | C18 | H34 | 180.0° | 180.0° |
| C32 | C33 | C18 | O17 | 179.0° | 180.0° |
| C33 | C32 | C31 | H33 | 180.0° | 179.9° |
| C32 | C33 | C18 | C19 | 0.1° | 0.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C33 | C32 | C31 | H32 | 180.0° | 180.0° |
| C33 | C18 | O17 | C19 | 179.1° | 179.9° |
| C18 | C33 | C32 | C31 | 0.2° | 0.0° |
| C33 | C18 | C19 | C30 | 0.2° | 0.1° |
| C33 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C33 | C32 | H33 | 179.8° | 179.9° |
| O17 | C18 | C19 | C30 | 179.3° | 180.0° |
| O17 | C18 | C19 | C20 | 1.2° | 0.1° |
| C18 | O17 | C16 | H25 | 25.9° | 60.1° |
| C18 | O17 | C16 | H26 | 94.5° | 59.9° |
| O17 | C18 | C33 | H34 | 1.0° | 0.0° |
| C32 | C31 | C30 | H32 | 180.0° | 179.9° |
| C32 | C31 | C30 | C19 | 0.3° | 0.1° |
| C32 | C31 | C30 | N22 | 179.4° | 179.7° |
| C31 | C32 | C33 | H34 | 179.8° | 179.9° |
| C04 | C02 | C01 | C03 | 121.5° | 120.0° |
| C04 | C02 | C01 | O05 | 120.8° | 120.0° |
| C04 | C02 | C03 | O05 | 124.1° | 120.0° |
| C04 | C02 | O05 | C06 | 44.2° | 180.0° |
| C04 | C02 | C01 | H11 | 180.0° | 180.0° |
| C04 | C02 | C01 | H12 | 60.0° | 60.0° |
| C04 | C02 | C01 | H13 | 60.0° | 60.0° |
| C04 | C02 | C03 | H14 | 180.0° | 60.0° |
| C04 | C02 | C03 | H15 | 60.0° | 60.0° |
| C04 | C02 | C03 | H16 | 60.0° | 180.0° |
| C02 | C04 | H17 | H18 | 120.0° | 120.0° |
| C02 | C04 | H17 | H19 | 120.0° | 120.0° |
| C02 | C04 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | C30 | C31 | 0.4° | 0.1° |
| C18 | C19 | C30 | C20 | 179.7° | 180.0° |
| C18 | C19 | C30 | N22 | 179.7° | 179.7° |
| C18 | C19 | C20 | C21 | 179.9° | 179.9° |
| C18 | C19 | C20 | H7 | 0.1° | 0.3° |
| C19 | C18 | C33 | H34 | 179.9° | 179.9° |
| N14 | C13 | C12 | H3 | 119.8° | 120.0° |
| N14 | C13 | C12 | H4 | 119.8° | 120.1° |
| N14 | C13 | C12 | C34 | 24.0° | 65.2° |
| N14 | C13 | C12 | C11 | 140.2° | 175.0° |
| N14 | C13 | H3 | H4 | 120.8° | 120.0° |
| C13 | N14 | C15 | H5 | 123.3° | 60.0° |
| C13 | N14 | C15 | H6 | 3.7° | 60.0° |
| N14 | C13 | C12 | H24 | 95.8° | 54.9° |
| C13 | N14 | H37 | H38 | 117.1° | 120.0° |
| C31 | C30 | C19 | N22 | 179.3° | 179.8° |
| C31 | C30 | C19 | C20 | 180.0° | 180.0° |
| C31 | C30 | N22 | C21 | 180.0° | 179.9° |
| C31 | C30 | N22 | C23 | 2.0° | 0.3° |
| C30 | C31 | C32 | H33 | 180.0° | 179.9° |
| C30 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C30 | N22 | C21 | 0.8° | 0.3° |
| C19 | C30 | N22 | C23 | 178.7° | 180.0° |
| C30 | C19 | C20 | H7 | 179.7° | 179.8° |
| C19 | C30 | C31 | H32 | 179.7° | 180.0° |
| C20 | C19 | C30 | N22 | 0.7° | 0.2° |
| C19 | C20 | C21 | H7 | 180.0° | 179.8° |
| C19 | C20 | C21 | N22 | 0.2° | 0.2° |
| C19 | C20 | C21 | H8 | 179.8° | 179.8° |
| C01 | C02 | C03 | O05 | 116.0° | 120.0° |
| C01 | C02 | O05 | C06 | 75.3° | 60.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 60.1° | 60.1° |
| C01 | C02 | C03 | H15 | 59.9° | 180.0° |
| C01 | C02 | C03 | H16 | 179.9° | 60.0° |
| C01 | C02 | C04 | H17 | 180.0° | 60.0° |
| C01 | C02 | C04 | H18 | 60.0° | 180.0° |
| C01 | C02 | C04 | H19 | 60.0° | 60.0° |
| C03 | C02 | O05 | C06 | 168.6° | 60.0° |
| C03 | C02 | C01 | H11 | 58.5° | 60.0° |
| C03 | C02 | C01 | H12 | 178.5° | 180.0° |
| C03 | C02 | C01 | H13 | 61.5° | 60.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 120.1° |
| C02 | C03 | H15 | H16 | 120.0° | 120.1° |
| C03 | C02 | C04 | H17 | 61.3° | 180.0° |
| C03 | C02 | C04 | H18 | 58.7° | 60.0° |
| C03 | C02 | C04 | H19 | 178.7° | 60.0° |
| C02 | O05 | C06 | O07 | 33.6° | 0.0° |
| C02 | O05 | C06 | N08 | 139.9° | 180.0° |
| O05 | C02 | C01 | H11 | 59.2° | 60.0° |
| O05 | C02 | C01 | H12 | 60.8° | 60.0° |
| O05 | C02 | C01 | H13 | 179.2° | 180.0° |
| O05 | C02 | C03 | H14 | 55.9° | 180.0° |
| O05 | C02 | C03 | H15 | 175.9° | 60.0° |
| O05 | C02 | C03 | H16 | 64.1° | 60.0° |
| O05 | C02 | C04 | H17 | 61.9° | 60.0° |
| O05 | C02 | C04 | H18 | 178.1° | 60.0° |
| O05 | C02 | C04 | H19 | 58.1° | 180.0° |
| C30 | N22 | C21 | C20 | 0.6° | 0.3° |
| C30 | N22 | C21 | C23 | 178.1° | 179.6° |
| C30 | N22 | C23 | C24 | 98.8° | 85.0° |
| C30 | N22 | C21 | H8 | 179.4° | 179.6° |
| C30 | N22 | C23 | H27 | 21.5° | 35.0° |
| C30 | N22 | C23 | H28 | 141.0° | 155.0° |
| N22 | C30 | C31 | H32 | 0.6° | 0.2° |
| O07 | C06 | N08 | C34 | 72.8° | 0.0° |
| O07 | C06 | O05 | N08 | 173.5° | 180.0° |
| O07 | C06 | N08 | C09 | 163.9° | 180.0° |
| C20 | C21 | N22 | H8 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 178.7° | 180.0° |
| C13 | C12 | C34 | C11 | 122.8° | 119.9° |
| C13 | C12 | C34 | H24 | 119.3° | 120.0° |
| C13 | C12 | C34 | N08 | 82.2° | 174.6° |
| C13 | C12 | C11 | H24 | 124.4° | 120.1° |
| C13 | C12 | C11 | C10 | 145.6° | 178.7° |
| C12 | C13 | H3 | H4 | 120.7° | 120.0° |
| C13 | C12 | C11 | H22 | 94.5° | 61.3° |
| C13 | C12 | C11 | H23 | 25.6° | 58.6° |
| C13 | C12 | C34 | H35 | 37.9° | 54.8° |
| C13 | C12 | C34 | H36 | 157.8° | 65.6° |
| C12 | C13 | N14 | H37 | 123.9° | 60.0° |
| C12 | C13 | N14 | H38 | 5.8° | 60.0° |
| C12 | C34 | N08 | H35 | 120.0° | 119.8° |
| C12 | C34 | N08 | H36 | 120.0° | 119.7° |
| C34 | C12 | C11 | H24 | 119.0° | 120.0° |
| C12 | C34 | N08 | C06 | 143.2° | 126.4° |
| C12 | C34 | N08 | C09 | 85.2° | 53.6° |
| C34 | C12 | C11 | C10 | 29.0° | 61.4° |
| C34 | C12 | C13 | H3 | 143.8° | 54.9° |
| C34 | C12 | C13 | H4 | 95.7° | 174.8° |
| C34 | C12 | C11 | H22 | 148.9° | 58.6° |
| C34 | C12 | C11 | H23 | 91.0° | 178.6° |
| C12 | C34 | H35 | H36 | 119.9° | 120.4° |
| N08 | C34 | C12 | C11 | 40.7° | 54.7° |
| C34 | N08 | C06 | O05 | 101.3° | 180.0° |
| C34 | N08 | C06 | C09 | 123.3° | 180.0° |
| C34 | N08 | C09 | C10 | 38.1° | 53.6° |
| C34 | N08 | C09 | H20 | 157.3° | 173.4° |
| C34 | N08 | C09 | H21 | 81.1° | 66.2° |
| N08 | C34 | C12 | H24 | 158.5° | 65.3° |
| N08 | C34 | H35 | H36 | 119.9° | 120.4° |
| C12 | C11 | C10 | H22 | 120.0° | 120.0° |
| C12 | C11 | C10 | H23 | 120.0° | 120.0° |
| C12 | C11 | C10 | C09 | 70.0° | 61.4° |
| C12 | C11 | C10 | H1 | 49.9° | 178.7° |
| C12 | C11 | C10 | H2 | 170.1° | 58.6° |
| C11 | C12 | C13 | H3 | 100.0° | 65.0° |
| C11 | C12 | C13 | H4 | 20.4° | 55.0° |
| C12 | C11 | H22 | H23 | 120.1° | 119.9° |
| C11 | C12 | C34 | H35 | 160.7° | 65.1° |
| C11 | C12 | C34 | H36 | 79.4° | 174.4° |
| O05 | C06 | N08 | C09 | 22.0° | 0.0° |
| C06 | N08 | C09 | C10 | 159.1° | 126.4° |
| C06 | N08 | C09 | H20 | 81.8° | 6.6° |
| C06 | N08 | C09 | H21 | 39.9° | 113.8° |
| C06 | N08 | C34 | H35 | 23.2° | 113.8° |
| C06 | N08 | C34 | H36 | 96.7° | 6.6° |
| C21 | N22 | C23 | C24 | 78.9° | 95.5° |
| N22 | C21 | C20 | H7 | 179.8° | 180.0° |
| C21 | N22 | C23 | H27 | 160.8° | 144.6° |
| C21 | N22 | C23 | H28 | 41.4° | 24.5° |
| N22 | C23 | C24 | H27 | 120.3° | 120.0° |
| N22 | C23 | C24 | H28 | 120.3° | 120.1° |
| N22 | C23 | C24 | C29 | 85.8° | 90.1° |
| N22 | C23 | C24 | C25 | 92.2° | 89.7° |
| C23 | N22 | C21 | H8 | 1.2° | 0.0° |
| N22 | C23 | H27 | H28 | 119.2° | 120.1° |
| N08 | C09 | C10 | C11 | 29.6° | 54.6° |
| N08 | C09 | C10 | H20 | 119.2° | 119.8° |
| N08 | C09 | C10 | H21 | 119.2° | 119.9° |
| N08 | C09 | C10 | H1 | 90.2° | 174.6° |
| N08 | C09 | C10 | H2 | 149.5° | 65.4° |
| N08 | C09 | H20 | H21 | 122.4° | 120.4° |
| C09 | N08 | C34 | H35 | 154.7° | 66.2° |
| C09 | N08 | C34 | H36 | 34.8° | 173.4° |
| C23 | C24 | C29 | C25 | 178.0° | 179.7° |
| C23 | C24 | C29 | C28 | 179.0° | 179.7° |
| C23 | C24 | C25 | C26 | 178.7° | 179.7° |
| C24 | C23 | H27 | H28 | 119.2° | 119.9° |
| C23 | C24 | C25 | H29 | 1.3° | 0.3° |
| C23 | C24 | C29 | H31 | 1.0° | 0.2° |
| C11 | C10 | C09 | H1 | 119.9° | 120.0° |
| C11 | C10 | C09 | H2 | 119.9° | 120.0° |
| C11 | C10 | H1 | H2 | 120.3° | 120.1° |
| C11 | C10 | C09 | H20 | 89.5° | 174.4° |
| C11 | C10 | C09 | H21 | 148.8° | 65.3° |
| C10 | C11 | H22 | H23 | 120.1° | 120.0° |
| C10 | C11 | C12 | H24 | 90.0° | 58.6° |
| C09 | C10 | H1 | H2 | 120.3° | 120.0° |
| C10 | C09 | H20 | H21 | 122.4° | 120.3° |
| C09 | C10 | C11 | H22 | 170.0° | 58.7° |
| C09 | C10 | C11 | H23 | 50.0° | 178.6° |
| C24 | C29 | C28 | H31 | 180.0° | 179.9° |
| C29 | C24 | C25 | C26 | 0.7° | NaN° |
| C24 | C29 | C28 | C27 | 0.6° | 0.0° |
| C24 | C29 | C28 | H10 | 179.4° | 179.9° |
| C29 | C24 | C23 | H27 | 34.5° | 150.0° |
| C29 | C24 | C23 | H28 | 154.0° | 30.0° |
| C29 | C24 | C25 | H29 | 179.3° | 179.9° |
| C25 | C24 | C29 | C28 | 1.0° | 0.1° |
| C24 | C25 | C26 | H29 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H9 | 179.9° | 179.9° |
| C25 | C24 | C23 | H27 | 147.5° | 30.3° |
| C25 | C24 | C23 | H28 | 28.1° | 150.2° |
| C25 | C24 | C29 | H31 | 179.0° | 179.9° |
| C29 | C28 | C27 | H10 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.0° | 0.1° |
| C29 | C28 | C27 | H30 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C25 | C26 | C27 | H9 | 180.0° | 179.8° |
| C25 | C26 | C27 | H30 | 179.7° | 179.9° |
| C28 | C27 | C26 | H30 | 180.0° | 179.9° |
| C28 | C27 | C26 | H9 | 179.7° | 180.0° |
| C27 | C28 | C29 | H31 | 179.4° | 179.9° |
| C26 | C27 | C28 | H10 | 180.0° | 180.0° |
| C27 | C26 | C25 | H29 | 179.9° | 180.0° |
| H1 | C10 | C09 | H20 | 150.6° | 65.6° |
| H1 | C10 | C09 | H21 | 29.0° | 54.7° |
| H1 | C10 | C11 | H22 | 70.1° | 61.3° |
| H1 | C10 | C11 | H23 | 169.9° | 58.7° |
| H2 | C10 | C09 | H20 | 30.3° | 54.4° |
| H2 | C10 | C09 | H21 | 91.3° | 174.7° |
| H2 | C10 | C11 | H22 | 50.2° | 178.7° |
| H2 | C10 | C11 | H23 | 69.9° | 61.4° |
| H3 | C13 | C12 | H24 | 24.0° | 174.9° |
| H3 | C13 | N14 | H37 | 116.3° | 180.0° |
| H3 | C13 | N14 | H38 | 125.6° | 60.0° |
| H4 | C13 | C12 | H24 | 144.4° | 65.1° |
| H4 | C13 | N14 | H37 | 4.1° | 60.0° |
| H4 | C13 | N14 | H38 | 114.0° | 179.9° |
| H5 | C15 | C16 | H25 | 149.6° | 55.0° |
| H5 | C15 | C16 | H26 | 29.2° | 65.0° |
| H5 | C15 | N14 | H37 | 115.8° | 60.0° |
| H5 | C15 | N14 | H38 | 2.3° | 180.0° |
| H6 | C15 | C16 | H25 | 30.1° | 65.0° |
| H6 | C15 | C16 | H26 | 90.3° | 175.0° |
| H6 | C15 | N14 | H37 | 124.7° | 180.0° |
| H6 | C15 | N14 | H38 | 117.2° | 60.0° |
| H7 | C20 | C21 | H8 | 0.2° | 0.0° |
| H9 | C26 | C25 | H29 | 0.1° | 0.2° |
| H9 | C26 | C27 | H30 | 0.3° | 0.1° |
| H10 | C28 | C27 | H30 | 0.0° | 0.1° |
| H10 | C28 | C29 | H31 | 0.6° | 0.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 119.9° |
| H17 | C04 | H18 | H19 | 120.0° | 120.0° |
| H22 | C11 | C12 | H24 | 29.9° | 178.6° |
| H23 | C11 | C12 | H24 | 150.0° | 61.4° |
| H24 | C12 | C34 | H35 | 81.4° | 174.9° |
| H24 | C12 | C34 | H36 | 38.5° | 54.4° |
| H32 | C31 | C32 | H33 | 0.0° | 0.0° |
| H33 | C32 | C33 | H34 | 0.2° | 0.1° |
