D81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.35Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.57Å | |
| C02 | O05 | sing | 1.43Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| O05 | C06 | sing | 1.36Å | 1.41Å | |
| N28 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C07 | C06 | doub | 1.33Å | 1.35Å | |
| C06 | N08 | sing | 1.39Å | 1.43Å | |
| C25 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C09 | sing | 1.53Å | 1.54Å | |
| N08 | C09 | sing | 1.47Å | 1.52Å | |
| C24 | C23 | sing | 1.51Å | 1.47Å | |
| C09 | C10 | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.55Å | 1.51Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.53Å | |
| C23 | N22 | sing | 1.46Å | 1.41Å | |
| N14 | C13 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| N22 | C20 | sing | 1.35Å | 1.43Å | |
| C10 | S11 | sing | 1.81Å | 1.92Å | |
| C13 | C20 | sing | 1.51Å | 1.58Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| C15 | C19 | sing | 1.54Å | 1.55Å | |
| S11 | C12 | sing | 1.81Å | 1.87Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | 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 | |
| C07 | H19 | sing | 1.08Å | 1.08Å | |
| C07 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H40 | sing | 1.08Å | 1.08Å | |
| N14 | H41 | sing | 1.01Å | 1.00Å | |
| N22 | H43 | sing | 0.97Å | 1.00Å | |
| N08 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C04 | 105.5° | 109.5° |
| C03 | C02 | O05 | 112.3° | 109.4° |
| C03 | C02 | C01 | 110.2° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C03 | H18 | 109.5° | 109.4° |
| C34 | C35 | C36 | 119.6° | 120.0° |
| C35 | C34 | C33 | 117.3° | 120.0° |
| C35 | C34 | H38 | 121.3° | 120.0° |
| C34 | C35 | H39 | 120.2° | 120.0° |
| C35 | C36 | C31 | 123.4° | 120.0° |
| C36 | C35 | H39 | 120.2° | 120.0° |
| C35 | C36 | H40 | 118.3° | 120.0° |
| C34 | C33 | C32 | 122.7° | 120.0° |
| C34 | C33 | H37 | 118.7° | 120.0° |
| C33 | C34 | H38 | 121.4° | 120.0° |
| C36 | C31 | C32 | 116.2° | 120.0° |
| C36 | C31 | C30 | 123.6° | 120.0° |
| C31 | C36 | H40 | 118.3° | 120.0° |
| C26 | C27 | N28 | 120.8° | 120.8° |
| C27 | C26 | C25 | 117.9° | 119.1° |
| C27 | C26 | H31 | 121.0° | 120.5° |
| C26 | C27 | H32 | 119.6° | 119.6° |
| C27 | N28 | C29 | 118.5° | 121.7° |
| N28 | C27 | H32 | 119.6° | 119.6° |
| C04 | C02 | O05 | 109.0° | 109.4° |
| C04 | C02 | C01 | 109.3° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.5° | 109.4° |
| C02 | C04 | H10 | 109.5° | 109.5° |
| O05 | C02 | C01 | 110.5° | 109.5° |
| C02 | O05 | C06 | 122.8° | 117.0° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C33 | C32 | C31 | 120.8° | 120.0° |
| C33 | C32 | H36 | 119.6° | 120.0° |
| C32 | C33 | H37 | 118.6° | 120.0° |
| C26 | C25 | C24 | 123.5° | 118.4° |
| C26 | C25 | H30 | 118.3° | 120.8° |
| C25 | C26 | H31 | 121.1° | 120.4° |
| O05 | C06 | C07 | 121.4° | 120.0° |
| O05 | C06 | N08 | 111.9° | 120.0° |
| N28 | C29 | C24 | 124.6° | 120.8° |
| N28 | C29 | H33 | 117.7° | 119.6° |
| C32 | C31 | C30 | 120.1° | 120.0° |
| C31 | C32 | H36 | 119.6° | 120.0° |
| C31 | C30 | C09 | 105.6° | 109.4° |
| C31 | C30 | H34 | 110.5° | 109.5° |
| C31 | C30 | H35 | 110.4° | 109.5° |
| C07 | C06 | N08 | 120.9° | 120.0° |
| C06 | C07 | H19 | 120.0° | 120.0° |
| C06 | C07 | H20 | 120.0° | 120.0° |
| C06 | N08 | C09 | 133.0° | 120.0° |
| C06 | N08 | H21 | 103.3° | 120.1° |
| C25 | C24 | C29 | 114.7° | 119.1° |
| C25 | C24 | C23 | 122.8° | 120.4° |
| C24 | C25 | H30 | 118.3° | 120.8° |
| C29 | C24 | C23 | 122.5° | 120.5° |
| C24 | C29 | H33 | 117.7° | 119.6° |
| C30 | C09 | N08 | 109.7° | 109.5° |
| C30 | C09 | C10 | 116.7° | 109.5° |
| C30 | C09 | H11 | 106.1° | 109.5° |
| C09 | C30 | H34 | 110.4° | 109.4° |
| C09 | C30 | H35 | 110.4° | 109.4° |
| N08 | C09 | C10 | 111.6° | 109.5° |
| N08 | C09 | H11 | 106.4° | 109.5° |
| C09 | N08 | H21 | 103.3° | 119.9° |
| C24 | C23 | N22 | 108.7° | 109.5° |
| C24 | C23 | H28 | 109.7° | 109.4° |
| C24 | C23 | H29 | 109.7° | 109.5° |
| C09 | C10 | S11 | 111.1° | 109.4° |
| C10 | C09 | H11 | 105.6° | 109.4° |
| C09 | C10 | H22 | 109.1° | 109.4° |
| C09 | C10 | H23 | 109.0° | 109.5° |
| C17 | C16 | C15 | 105.6° | 102.7° |
| C16 | C17 | C18 | 103.9° | 104.2° |
| C16 | C17 | H3 | 110.8° | 110.5° |
| C16 | C17 | H4 | 110.8° | 110.6° |
| C17 | C16 | H12 | 110.4° | 110.7° |
| C17 | C16 | H13 | 110.4° | 110.8° |
| C16 | C15 | N14 | 111.2° | 110.6° |
| C16 | C15 | C19 | 105.6° | 104.2° |
| C16 | C15 | H2 | 110.1° | 110.5° |
| C15 | C16 | H12 | 110.4° | 110.8° |
| C15 | C16 | H13 | 110.4° | 110.8° |
| C17 | C18 | C19 | 104.2° | 106.6° |
| C18 | C17 | H3 | 110.8° | 110.5° |
| C18 | C17 | H4 | 110.9° | 110.5° |
| C17 | C18 | H26 | 110.7° | 110.0° |
| C17 | C18 | H27 | 110.8° | 110.1° |
| C23 | N22 | C20 | 123.7° | 120.0° |
| N22 | C23 | H28 | 109.7° | 109.4° |
| N22 | C23 | H29 | 109.7° | 109.5° |
| C23 | N22 | H43 | 118.1° | 120.0° |
| C13 | N14 | C15 | 114.9° | 111.0° |
| N14 | C13 | C20 | 108.9° | 109.4° |
| N14 | C13 | C12 | 117.6° | 109.5° |
| N14 | C13 | H1 | 103.9° | 109.5° |
| C13 | N14 | H41 | 108.1° | 111.0° |
| N14 | C15 | C19 | 108.6° | 110.5° |
| N14 | C15 | H2 | 111.3° | 110.4° |
| C15 | N14 | H41 | 108.1° | 111.0° |
| N22 | C20 | C13 | 112.8° | 120.0° |
| N22 | C20 | O21 | 122.8° | 120.0° |
| C20 | N22 | H43 | 118.1° | 120.0° |
| C10 | S11 | C12 | 113.1° | 103.0° |
| S11 | C10 | H22 | 109.1° | 109.5° |
| S11 | C10 | H23 | 109.1° | 109.5° |
| C20 | C13 | C12 | 117.8° | 109.5° |
| C13 | C20 | O21 | 124.4° | 120.0° |
| C20 | C13 | H1 | 103.0° | 109.4° |
| C13 | C12 | S11 | 109.9° | 109.4° |
| C12 | C13 | H1 | 103.2° | 109.5° |
| C13 | C12 | H24 | 109.4° | 109.5° |
| C13 | C12 | H25 | 109.3° | 109.4° |
| C15 | C19 | C18 | 106.6° | 106.6° |
| C19 | C15 | H2 | 109.9° | 110.5° |
| C15 | C19 | H14 | 110.2° | 110.0° |
| C15 | C19 | H15 | 110.2° | 110.0° |
| S11 | C12 | H24 | 109.4° | 109.5° |
| S11 | C12 | H25 | 109.4° | 109.5° |
| C18 | C19 | H14 | 110.2° | 110.0° |
| C18 | C19 | H15 | 110.2° | 110.1° |
| C19 | C18 | H26 | 110.7° | 110.0° |
| C19 | C18 | H27 | 110.8° | 110.0° |
| H3 | C17 | H4 | 109.5° | 110.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H10 | 109.4° | 109.5° |
| H9 | C04 | H10 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 110.8° |
| H14 | C19 | H15 | 109.5° | 110.0° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H16 | C03 | H18 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 120.0° | 120.0° |
| H22 | C10 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 110.0° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C04 | O05 | 120.8° | 119.9° |
| C03 | C02 | C04 | C01 | 118.5° | 120.1° |
| C03 | C02 | O05 | C01 | 123.4° | 120.1° |
| C03 | C02 | O05 | C06 | 93.5° | 174.8° |
| C03 | C02 | C01 | H5 | 180.0° | 44.7° |
| C03 | C02 | C01 | H6 | 60.0° | 75.2° |
| C03 | C02 | C01 | H7 | 60.0° | 164.7° |
| C03 | C02 | C04 | H8 | 180.0° | 172.5° |
| C03 | C02 | C04 | H9 | 60.0° | 67.5° |
| C03 | C02 | C04 | H10 | 60.0° | 52.4° |
| C02 | C03 | H16 | H17 | 120.0° | 120.0° |
| C02 | C03 | H16 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H18 | 120.0° | 120.0° |
| C34 | C35 | C36 | H39 | 180.0° | 179.7° |
| C35 | C34 | C33 | H38 | 180.0° | 179.9° |
| C34 | C35 | C36 | C31 | 0.2° | 0.6° |
| C35 | C34 | C33 | C32 | 0.1° | 0.0° |
| C35 | C34 | C33 | H37 | 180.0° | 180.0° |
| C34 | C35 | C36 | H40 | 179.8° | 180.0° |
| C36 | C35 | C34 | C33 | 0.4° | 0.3° |
| C35 | C36 | C31 | H40 | 180.0° | 179.4° |
| C35 | C36 | C31 | C32 | 1.1° | 0.6° |
| C35 | C36 | C31 | C30 | 176.8° | 179.7° |
| C36 | C35 | C34 | H38 | 179.6° | 179.7° |
| C34 | C33 | C32 | H37 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.9° | 0.0° |
| C34 | C33 | C32 | H36 | 179.1° | 180.0° |
| C33 | C34 | C35 | H39 | 179.5° | 179.9° |
| C36 | C31 | C32 | C33 | 1.5° | 0.3° |
| C36 | C31 | C32 | C30 | 175.8° | 179.7° |
| C36 | C31 | C30 | C09 | 99.8° | 84.6° |
| C36 | C31 | C30 | H34 | 140.8° | 155.4° |
| C36 | C31 | C30 | H35 | 19.6° | 35.3° |
| C36 | C31 | C32 | H36 | 178.5° | 179.7° |
| C31 | C36 | C35 | H39 | 179.8° | 179.7° |
| C26 | C27 | N28 | H32 | 180.0° | 180.0° |
| C27 | C26 | C25 | H31 | 180.0° | 180.0° |
| C26 | C27 | N28 | C29 | 0.0° | 0.3° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H30 | 179.8° | 180.0° |
| N28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | N28 | C29 | C24 | 0.5° | 0.6° |
| N28 | C27 | C26 | H31 | 179.9° | 180.0° |
| C27 | N28 | C29 | H33 | 179.5° | 179.7° |
| C04 | C02 | O05 | C01 | 120.1° | 120.0° |
| C04 | C02 | O05 | C06 | 150.0° | 54.9° |
| C04 | C02 | C01 | H5 | 64.5° | 164.7° |
| C04 | C02 | C01 | H6 | 175.5° | 44.8° |
| C04 | C02 | C01 | H7 | 55.5° | 75.3° |
| C02 | C04 | H8 | H9 | 120.0° | 119.9° |
| C02 | C04 | H8 | H10 | 120.0° | 120.0° |
| C02 | C04 | H9 | H10 | 120.0° | 120.0° |
| C04 | C02 | C03 | H16 | 180.0° | 55.3° |
| C04 | C02 | C03 | H17 | 60.0° | 64.7° |
| C04 | C02 | C03 | H18 | 60.0° | 175.3° |
| C02 | O05 | C06 | C07 | 57.5° | 174.6° |
| C02 | O05 | C06 | N08 | 149.2° | 5.5° |
| O05 | C02 | C01 | H5 | 55.4° | 75.3° |
| O05 | C02 | C01 | H6 | 64.6° | 164.8° |
| O05 | C02 | C01 | H7 | 175.3° | 44.7° |
| O05 | C02 | C04 | H8 | 59.2° | 52.5° |
| O05 | C02 | C04 | H9 | 179.3° | 172.5° |
| O05 | C02 | C04 | H10 | 60.8° | 67.5° |
| O05 | C02 | C03 | H16 | 61.4° | 64.7° |
| O05 | C02 | C03 | H17 | 58.6° | 175.3° |
| O05 | C02 | C03 | H18 | 178.5° | 55.4° |
| C01 | C02 | O05 | C06 | 29.9° | 65.1° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.1° |
| C01 | C02 | C04 | H8 | 61.5° | 67.5° |
| C01 | C02 | C04 | H9 | 58.5° | 52.5° |
| C01 | C02 | C04 | H10 | 178.5° | 172.5° |
| C01 | C02 | C03 | H16 | 62.2° | 175.3° |
| C01 | C02 | C03 | H17 | 177.8° | 55.3° |
| C01 | C02 | C03 | H18 | 57.9° | 64.7° |
| C33 | C32 | C31 | H36 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 177.3° | 180.0° |
| C32 | C33 | C34 | H38 | 179.9° | 180.0° |
| C26 | C25 | C24 | H30 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.7° | 0.2° |
| C26 | C25 | C24 | C23 | 179.3° | 180.0° |
| C25 | C26 | C27 | H32 | 179.9° | 180.0° |
| O05 | C06 | C07 | N08 | 150.9° | 179.9° |
| O05 | C06 | N08 | C09 | 163.8° | 174.9° |
| O05 | C06 | C07 | H19 | 150.9° | 0.1° |
| O05 | C06 | C07 | H20 | 29.1° | 180.0° |
| O05 | C06 | N08 | H21 | 73.3° | 5.0° |
| N28 | C29 | C24 | C25 | 0.8° | 0.5° |
| N28 | C29 | C24 | H33 | 180.0° | 179.8° |
| N28 | C29 | C24 | C23 | 179.4° | 179.6° |
| C29 | N28 | C27 | H32 | 180.0° | 179.6° |
| C32 | C31 | C30 | C09 | 75.7° | 95.7° |
| C32 | C31 | C30 | H34 | 43.7° | 24.3° |
| C32 | C31 | C30 | H35 | 164.9° | 144.3° |
| C31 | C32 | C33 | H37 | 179.0° | 180.0° |
| C32 | C31 | C36 | H40 | 178.9° | 180.0° |
| C31 | C30 | C09 | H34 | 119.4° | 120.0° |
| C31 | C30 | C09 | H35 | 119.4° | 120.0° |
| C31 | C30 | C09 | N08 | 28.8° | 64.2° |
| C31 | C30 | C09 | C10 | 157.0° | 175.8° |
| C31 | C30 | C09 | H11 | 85.7° | 55.8° |
| C31 | C30 | H34 | H35 | 121.8° | 120.1° |
| C30 | C31 | C32 | H36 | 2.7° | 0.0° |
| C30 | C31 | C36 | H40 | 3.2° | 0.3° |
| C07 | C06 | N08 | C09 | 10.4° | 5.2° |
| C06 | C07 | H19 | H20 | 180.0° | 180.0° |
| C07 | C06 | N08 | H21 | 133.3° | 174.9° |
| C06 | N08 | C09 | C30 | 76.0° | 100.3° |
| C06 | N08 | C09 | H21 | 123.0° | 179.9° |
| C06 | N08 | C09 | C10 | 54.9° | 139.7° |
| C06 | N08 | C09 | H11 | 169.6° | 19.7° |
| N08 | C06 | C07 | H19 | 0.0° | 180.0° |
| N08 | C06 | C07 | H20 | 180.0° | 0.1° |
| C25 | C24 | C29 | C23 | 178.6° | 179.9° |
| C25 | C24 | C23 | N22 | 27.9° | 90.0° |
| C25 | C24 | C23 | H28 | 92.0° | 150.1° |
| C25 | C24 | C23 | H29 | 147.8° | 30.1° |
| C24 | C25 | C26 | H31 | 179.8° | 180.0° |
| C25 | C24 | C29 | H33 | 179.2° | 179.7° |
| C29 | C24 | C23 | N22 | 150.6° | 90.2° |
| C29 | C24 | C23 | H28 | 89.6° | 29.8° |
| C29 | C24 | C23 | H29 | 30.7° | 149.8° |
| C29 | C24 | C25 | H30 | 179.3° | 179.8° |
| C30 | C09 | N08 | C10 | 130.9° | 120.0° |
| C30 | C09 | N08 | H11 | 114.4° | 120.0° |
| C30 | C09 | C10 | H11 | 117.6° | 120.0° |
| C30 | C09 | C10 | S11 | 166.7° | 175.0° |
| C30 | C09 | C10 | H22 | 73.0° | 55.0° |
| C30 | C09 | C10 | H23 | 46.5° | 65.0° |
| C09 | C30 | H34 | H35 | 121.8° | 119.9° |
| C30 | C09 | N08 | H21 | 161.0° | 79.8° |
| N08 | C09 | C10 | H11 | 115.2° | 120.0° |
| N08 | C09 | C10 | S11 | 39.5° | 65.0° |
| N08 | C09 | C10 | H22 | 159.7° | 175.0° |
| N08 | C09 | C10 | H23 | 80.8° | 55.0° |
| N08 | C09 | C30 | H34 | 148.2° | 55.8° |
| N08 | C09 | C30 | H35 | 90.6° | 175.8° |
| C24 | C23 | N22 | H28 | 119.9° | 119.9° |
| C24 | C23 | N22 | H29 | 119.9° | 120.1° |
| C24 | C23 | N22 | C20 | 107.3° | 180.0° |
| C24 | C23 | H28 | H29 | 120.4° | 120.0° |
| C23 | C24 | C25 | H30 | 0.8° | 0.1° |
| C23 | C24 | C29 | H33 | 0.6° | 0.1° |
| C24 | C23 | N22 | H43 | 72.7° | 0.1° |
| C09 | C10 | S11 | H22 | 120.2° | 119.9° |
| C09 | C10 | S11 | H23 | 120.2° | 120.0° |
| C09 | C10 | S11 | C12 | 49.8° | 180.0° |
| C09 | C10 | H22 | H23 | 119.2° | 120.0° |
| C10 | C09 | C30 | H34 | 83.6° | 64.2° |
| C10 | C09 | C30 | H35 | 37.6° | 55.7° |
| C10 | C09 | N08 | H21 | 68.0° | 40.2° |
| C17 | C16 | C15 | H12 | 119.4° | 118.3° |
| C17 | C16 | C15 | H13 | 119.4° | 118.3° |
| C16 | C17 | C18 | H3 | 119.1° | 118.6° |
| C16 | C17 | C18 | H4 | 119.1° | 118.8° |
| C17 | C16 | C15 | N14 | 97.5° | 156.7° |
| C17 | C16 | C15 | C19 | 20.1° | 38.0° |
| C16 | C17 | C18 | C19 | 37.0° | 23.6° |
| C17 | C16 | C15 | H2 | 138.7° | 80.7° |
| C16 | C17 | H3 | H4 | 122.5° | 122.6° |
| C17 | C16 | H12 | H13 | 121.8° | 123.3° |
| C16 | C17 | C18 | H26 | 82.1° | 142.9° |
| C16 | C17 | C18 | H27 | 156.2° | 95.7° |
| C15 | C16 | C17 | C18 | 35.4° | 38.0° |
| C16 | C15 | N14 | C13 | 137.8° | 91.3° |
| C16 | C15 | N14 | C19 | 115.7° | 114.8° |
| C16 | C15 | N14 | H2 | 123.1° | 122.6° |
| C16 | C15 | C19 | H2 | 118.7° | 118.7° |
| C16 | C15 | C19 | C18 | 3.0° | 23.6° |
| C15 | C16 | C17 | H3 | 154.5° | 80.7° |
| C15 | C16 | C17 | H4 | 83.7° | 156.7° |
| C15 | C16 | H12 | H13 | 121.8° | 123.4° |
| C16 | C15 | C19 | H14 | 116.6° | 95.7° |
| C16 | C15 | C19 | H15 | 122.5° | 143.0° |
| C16 | C15 | N14 | H41 | 16.9° | 32.6° |
| C17 | C18 | C19 | C15 | 24.5° | 0.0° |
| C17 | C18 | C19 | H26 | 119.1° | 119.3° |
| C17 | C18 | C19 | H27 | 119.2° | 119.3° |
| C18 | C17 | H3 | H4 | 122.6° | 122.6° |
| C18 | C17 | C16 | H12 | 154.8° | 156.3° |
| C18 | C17 | C16 | H13 | 84.0° | 80.4° |
| C17 | C18 | C19 | H14 | 95.1° | 119.3° |
| C17 | C18 | C19 | H15 | 144.0° | 119.3° |
| C17 | C18 | H26 | H27 | 122.4° | 121.4° |
| C23 | N22 | C20 | H43 | 180.0° | 179.9° |
| C23 | N22 | C20 | C13 | 179.5° | 179.9° |
| C23 | N22 | C20 | O21 | 0.0° | 0.0° |
| N22 | C23 | H28 | H29 | 120.4° | 120.0° |
| C13 | N14 | C15 | H41 | 120.8° | 123.9° |
| N14 | C13 | C20 | N22 | 3.0° | 153.0° |
| N14 | C13 | C20 | C12 | 137.3° | 120.0° |
| N14 | C13 | C20 | H1 | 109.9° | 120.0° |
| N14 | C13 | C12 | H1 | 113.7° | 120.0° |
| N14 | C13 | C20 | O21 | 177.5° | 27.1° |
| C13 | N14 | C15 | C19 | 106.5° | 153.9° |
| N14 | C13 | C12 | S11 | 99.1° | 64.1° |
| C13 | N14 | C15 | H2 | 14.6° | 31.3° |
| N14 | C13 | C12 | H24 | 21.0° | 55.9° |
| N14 | C13 | C12 | H25 | 140.9° | 176.0° |
| C15 | N14 | C13 | C20 | 138.9° | 88.4° |
| C15 | N14 | C13 | C12 | 1.5° | 151.6° |
| N14 | C15 | C19 | H2 | 121.9° | 122.5° |
| N14 | C15 | C19 | C18 | 122.3° | 142.4° |
| C15 | N14 | C13 | H1 | 111.9° | 31.5° |
| N14 | C15 | C16 | H12 | 21.9° | 85.1° |
| N14 | C15 | C16 | H13 | 143.1° | 38.3° |
| N14 | C15 | C19 | H14 | 2.8° | 23.1° |
| N14 | C15 | C19 | H15 | 118.2° | 98.2° |
| N22 | C20 | C13 | O21 | 179.5° | 179.9° |
| N22 | C20 | C13 | C12 | 140.3° | 87.0° |
| N22 | C20 | C13 | H1 | 106.9° | 33.1° |
| C20 | N22 | C23 | H28 | 132.8° | 60.1° |
| C20 | N22 | C23 | H29 | 12.6° | 59.9° |
| C10 | S11 | C12 | C13 | 72.5° | 180.0° |
| S11 | C10 | C09 | H11 | 75.7° | 55.0° |
| S11 | C10 | H22 | H23 | 119.3° | 120.0° |
| C10 | S11 | C12 | H24 | 167.4° | 60.0° |
| C10 | S11 | C12 | H25 | 47.6° | 60.1° |
| C20 | C13 | C12 | H1 | 112.7° | 120.0° |
| C20 | C13 | C12 | S11 | 127.4° | 176.0° |
| C20 | C13 | C12 | H24 | 112.6° | 64.0° |
| C20 | C13 | C12 | H25 | 7.3° | 56.0° |
| C20 | C13 | N14 | H41 | 100.3° | 35.5° |
| C13 | C20 | N22 | H43 | 0.5° | 0.0° |
| C12 | C13 | C20 | O21 | 40.2° | 92.9° |
| C13 | C12 | S11 | H24 | 120.1° | 120.0° |
| C13 | C12 | S11 | H25 | 120.1° | 119.9° |
| C13 | C12 | H24 | H25 | 119.8° | 120.0° |
| C12 | C13 | N14 | H41 | 122.3° | 84.5° |
| O21 | C20 | C13 | H1 | 72.6° | 147.0° |
| O21 | C20 | N22 | H43 | 179.9° | 179.9° |
| C15 | C19 | C18 | H14 | 119.6° | 119.3° |
| C15 | C19 | C18 | H15 | 119.5° | 119.3° |
| C19 | C15 | C16 | H12 | 139.5° | 156.2° |
| C19 | C15 | C16 | H13 | 99.3° | 80.4° |
| C15 | C19 | H14 | H15 | 121.4° | 121.4° |
| C15 | C19 | C18 | H26 | 94.7° | 119.3° |
| C15 | C19 | C18 | H27 | 143.6° | 119.3° |
| C19 | C15 | N14 | H41 | 132.7° | 82.2° |
| S11 | C12 | C13 | H1 | 14.7° | 56.0° |
| C12 | S11 | C10 | H22 | 70.5° | 60.1° |
| C12 | S11 | C10 | H23 | 170.0° | 60.0° |
| S11 | C12 | H24 | H25 | 119.8° | 120.0° |
| C18 | C19 | C15 | H2 | 115.8° | 95.1° |
| C19 | C18 | C17 | H3 | 156.1° | 95.0° |
| C19 | C18 | C17 | H4 | 82.1° | 142.4° |
| C18 | C19 | H14 | H15 | 121.3° | 121.5° |
| C19 | C18 | H26 | H27 | 122.5° | 121.4° |
| H1 | C13 | C12 | H24 | 134.7° | 176.0° |
| H1 | C13 | C12 | H25 | 105.4° | 64.0° |
| H1 | C13 | N14 | H41 | 9.0° | 155.4° |
| H2 | C15 | C16 | H12 | 101.9° | 37.5° |
| H2 | C15 | C16 | H13 | 19.3° | 160.9° |
| H2 | C15 | C19 | H14 | 124.7° | 145.6° |
| H2 | C15 | C19 | H15 | 3.8° | 24.3° |
| H2 | C15 | N14 | H41 | 106.2° | 155.3° |
| H3 | C17 | C16 | H12 | 86.1° | 37.6° |
| H3 | C17 | C16 | H13 | 35.2° | 161.0° |
| H3 | C17 | C18 | H26 | 37.0° | 24.3° |
| H3 | C17 | C18 | H27 | 84.7° | 145.7° |
| H4 | C17 | C16 | H12 | 35.7° | 85.0° |
| H4 | C17 | C16 | H13 | 156.9° | 38.4° |
| H4 | C17 | C18 | H26 | 158.8° | 98.3° |
| H4 | C17 | C18 | H27 | 37.1° | 23.1° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H8 | C04 | H9 | H10 | 119.9° | 120.0° |
| H11 | C09 | C10 | H22 | 44.5° | 65.0° |
| H11 | C09 | C10 | H23 | 164.0° | 175.0° |
| H11 | C09 | C30 | H34 | 33.7° | 175.8° |
| H11 | C09 | C30 | H35 | 154.9° | 64.2° |
| H11 | C09 | N08 | H21 | 46.6° | 160.2° |
| H14 | C19 | C18 | H26 | 145.8° | 121.4° |
| H14 | C19 | C18 | H27 | 24.1° | 0.0° |
| H15 | C19 | C18 | H26 | 24.9° | 0.1° |
| H15 | C19 | C18 | H27 | 96.8° | 121.3° |
| H16 | C03 | H17 | H18 | 120.0° | 120.0° |
| H28 | C23 | N22 | H43 | 47.1° | 120.0° |
| H29 | C23 | N22 | H43 | 167.4° | 120.0° |
| H30 | C25 | C26 | H31 | 0.2° | 0.0° |
| H31 | C26 | C27 | H32 | 0.1° | 0.1° |
| H36 | C32 | C33 | H37 | 0.9° | 0.0° |
| H37 | C33 | C34 | H38 | 0.0° | 0.1° |
| H38 | C34 | C35 | H39 | 0.4° | 0.0° |
| H39 | C35 | C36 | H40 | 0.2° | 0.3° |
