A1ESY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.63Å | |
| C01 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C01 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C03 | C06 | sing | 1.53Å | 1.69Å | |
| C03 | N05 | sing | 1.47Å | 1.55Å | |
| C04 | O12 | sing | 1.43Å | 1.39Å | |
| C06 | O07 | sing | 1.43Å | 1.30Å | |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.67Å | |
| C16 | C17 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | F29 | sing | 1.35Å | 1.35Å | |
| C18 | N19 | sing | 1.35Å | 1.47Å | Aromatic |
| C18 | N22 | doub | 1.31Å | 1.36Å | Aromatic |
| C20 | C23 | sing | 1.48Å | 1.67Å | |
| C20 | N19 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | O21 | sing | 1.34Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.45Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C27 | C30 | sing | 1.51Å | 1.66Å | |
| C30 | F31 | sing | 1.40Å | 1.34Å | |
| C30 | F32 | sing | 1.40Å | 1.34Å | |
| C30 | F33 | sing | 1.40Å | 1.34Å | |
| C34 | C35 | sing | 1.53Å | 1.58Å | |
| C34 | C39 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| N22 | O21 | sing | 1.21Å | 1.35Å | Aromatic |
| O07 | P08 | sing | 1.61Å | 1.99Å | |
| O09 | P08 | doub | 1.48Å | 1.49Å | |
| O10 | P08 | sing | 1.61Å | 1.49Å | |
| O11 | P08 | sing | 1.61Å | 1.49Å | |
| C26 | C34 | sing | 1.51Å | 1.70Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| N05 | H24 | sing | 1.01Å | 1.00Å | |
| N05 | H25 | sing | 1.01Å | 1.00Å | |
| O10 | H27 | sing | 0.97Å | 0.95Å | |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| O12 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C13 | 121.7° | 119.9° |
| C02 | C01 | C17 | 122.1° | 119.9° |
| C01 | C02 | C03 | 114.9° | 109.5° |
| C01 | C02 | H1 | 108.1° | 109.5° |
| C01 | C02 | H2 | 108.1° | 109.5° |
| C13 | C01 | C17 | 116.1° | 120.2° |
| C01 | C13 | C14 | 123.0° | 120.2° |
| C01 | C13 | H7 | 118.5° | 119.9° |
| C01 | C17 | C16 | 121.5° | 120.1° |
| C01 | C17 | F29 | 119.0° | 119.9° |
| C02 | C03 | C04 | 113.1° | 109.4° |
| C02 | C03 | C06 | 116.5° | 109.5° |
| C02 | C03 | N05 | 104.9° | 109.5° |
| C03 | C02 | H1 | 108.1° | 109.5° |
| C03 | C02 | H2 | 108.1° | 109.5° |
| C04 | C03 | C06 | 108.4° | 109.5° |
| C04 | C03 | N05 | 108.9° | 109.5° |
| C03 | C04 | O12 | 109.1° | 109.5° |
| C03 | C04 | H3 | 109.5° | 109.5° |
| C03 | C04 | H4 | 109.6° | 109.4° |
| C06 | C03 | N05 | 104.5° | 109.5° |
| C03 | C06 | O07 | 107.8° | 109.5° |
| C03 | C06 | H5 | 109.9° | 109.5° |
| C03 | C06 | H6 | 109.9° | 109.5° |
| C03 | N05 | H24 | 109.5° | 111.0° |
| C03 | N05 | H25 | 109.5° | 111.0° |
| O12 | C04 | H3 | 109.6° | 109.5° |
| O12 | C04 | H4 | 109.6° | 109.5° |
| C04 | O12 | H29 | 109.5° | 114.0° |
| C06 | O07 | P08 | 117.8° | 123.0° |
| O07 | C06 | H5 | 109.9° | 109.5° |
| O07 | C06 | H6 | 109.9° | 109.4° |
| C13 | C14 | C15 | 120.6° | 119.9° |
| C14 | C13 | H7 | 118.5° | 119.9° |
| C13 | C14 | H8 | 119.7° | 120.0° |
| C14 | C15 | C16 | 117.5° | 119.8° |
| C14 | C15 | C18 | 122.4° | 120.1° |
| C15 | C14 | H8 | 119.7° | 120.1° |
| C16 | C15 | C18 | 120.2° | 120.1° |
| C15 | C16 | C17 | 121.3° | 119.8° |
| C15 | C16 | H9 | 119.4° | 120.1° |
| C15 | C18 | N19 | 125.8° | 126.3° |
| C15 | C18 | N22 | 130.4° | 126.3° |
| C16 | C17 | F29 | 119.4° | 120.0° |
| C17 | C16 | H9 | 119.3° | 120.1° |
| N19 | C18 | N22 | 103.8° | 107.4° |
| C18 | N19 | C20 | 111.0° | 105.5° |
| C18 | N22 | O21 | 109.7° | 110.3° |
| C23 | C20 | N19 | 130.3° | 126.6° |
| C23 | C20 | O21 | 125.5° | 126.5° |
| C20 | C23 | C24 | 120.8° | 120.1° |
| C20 | C23 | C28 | 122.3° | 120.1° |
| N19 | C20 | O21 | 104.2° | 106.9° |
| C20 | O21 | N22 | 111.3° | 109.9° |
| C24 | C23 | C28 | 116.9° | 119.7° |
| C23 | C24 | C25 | 121.0° | 119.8° |
| C23 | C24 | H10 | 119.5° | 120.1° |
| C23 | C28 | C27 | 121.6° | 119.8° |
| C23 | C28 | H12 | 119.2° | 120.1° |
| C24 | C25 | C26 | 123.7° | 120.1° |
| C25 | C24 | H10 | 119.5° | 120.1° |
| C24 | C25 | H11 | 118.1° | 119.9° |
| C25 | C26 | C27 | 114.4° | 120.3° |
| C25 | C26 | C34 | 117.4° | 119.8° |
| C26 | C25 | H11 | 118.1° | 119.9° |
| C26 | C27 | C28 | 122.4° | 120.1° |
| C26 | C27 | C30 | 121.2° | 119.9° |
| C27 | C26 | C34 | 128.2° | 119.9° |
| C28 | C27 | C30 | 116.4° | 119.9° |
| C27 | C28 | H12 | 119.2° | 120.0° |
| C27 | C30 | F31 | 117.9° | 109.5° |
| C27 | C30 | F32 | 116.8° | 109.5° |
| C27 | C30 | F33 | 116.6° | 109.5° |
| F31 | C30 | F32 | 100.2° | 109.5° |
| F31 | C30 | F33 | 101.7° | 109.5° |
| F32 | C30 | F33 | 100.5° | 109.5° |
| C35 | C34 | C39 | 110.6° | 109.5° |
| C34 | C35 | C36 | 112.5° | 109.5° |
| C35 | C34 | C26 | 113.6° | 109.5° |
| C35 | C34 | H13 | 106.3° | 109.4° |
| C34 | C35 | H14 | 108.7° | 109.5° |
| C34 | C35 | H15 | 108.7° | 109.5° |
| C34 | C39 | C38 | 112.5° | 109.5° |
| C39 | C34 | C26 | 114.3° | 109.5° |
| C39 | C34 | H13 | 106.3° | 109.5° |
| C34 | C39 | H22 | 108.7° | 109.5° |
| C34 | C39 | H23 | 108.7° | 109.4° |
| C35 | C36 | C37 | 112.2° | 109.5° |
| C36 | C35 | H14 | 108.7° | 109.5° |
| C36 | C35 | H15 | 108.7° | 109.5° |
| C35 | C36 | H16 | 108.8° | 109.5° |
| C35 | C36 | H17 | 108.8° | 109.5° |
| C36 | C37 | C38 | 111.6° | 109.5° |
| C37 | C36 | H16 | 108.8° | 109.5° |
| C37 | C36 | H17 | 108.8° | 109.4° |
| C36 | C37 | H18 | 108.9° | 109.4° |
| C36 | C37 | H19 | 109.0° | 109.4° |
| C37 | C38 | C39 | 112.7° | 109.5° |
| C38 | C37 | H18 | 108.9° | 109.5° |
| C38 | C37 | H19 | 108.9° | 109.5° |
| C37 | C38 | H20 | 108.6° | 109.5° |
| C37 | C38 | H21 | 108.6° | 109.5° |
| C39 | C38 | H20 | 108.7° | 109.5° |
| C39 | C38 | H21 | 108.7° | 109.5° |
| C38 | C39 | H22 | 108.7° | 109.5° |
| C38 | C39 | H23 | 108.7° | 109.5° |
| O07 | P08 | O09 | 101.8° | 109.4° |
| O07 | P08 | O10 | 96.1° | 109.4° |
| O07 | P08 | O11 | 97.5° | 109.4° |
| O09 | P08 | O10 | 117.8° | 109.5° |
| O09 | P08 | O11 | 118.6° | 109.5° |
| O10 | P08 | O11 | 117.1° | 109.5° |
| P08 | O10 | H27 | 109.5° | 114.0° |
| P08 | O11 | H28 | 109.5° | 114.0° |
| C26 | C34 | H13 | 105.0° | 109.5° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.4° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.5° | 109.4° |
| H16 | C36 | H17 | 109.5° | 109.5° |
| H18 | C37 | H19 | 109.5° | 109.5° |
| H20 | C38 | H21 | 109.4° | 109.4° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H24 | N05 | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C13 | C17 | 179.6° | 179.8° |
| C01 | C02 | C03 | H1 | 120.8° | 120.0° |
| C01 | C02 | C03 | H2 | 120.8° | 120.0° |
| C01 | C02 | C03 | C04 | 69.0° | 60.0° |
| C01 | C02 | C03 | C06 | 164.4° | 180.0° |
| C01 | C02 | C03 | N05 | 49.4° | 60.0° |
| C02 | C01 | C13 | C14 | 179.8° | 180.0° |
| C02 | C01 | C17 | C16 | 179.8° | 179.7° |
| C02 | C01 | C17 | F29 | 0.3° | 0.0° |
| C01 | C02 | H1 | H2 | 117.5° | 120.0° |
| C02 | C01 | C13 | H7 | 0.2° | 0.0° |
| C13 | C01 | C02 | C03 | 86.0° | 100.0° |
| C01 | C13 | C14 | H7 | 180.0° | 180.0° |
| C01 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C01 | C17 | C16 | 0.2° | 0.5° |
| C13 | C01 | C17 | F29 | 179.9° | 179.7° |
| C13 | C01 | C02 | H1 | 34.8° | 140.0° |
| C13 | C01 | C02 | H2 | 153.1° | 20.1° |
| C01 | C13 | C14 | H8 | 180.0° | 179.9° |
| C17 | C01 | C02 | C03 | 93.6° | 80.2° |
| C17 | C01 | C13 | C14 | 0.2° | 0.3° |
| C01 | C17 | C16 | C15 | 0.0° | 0.5° |
| C01 | C17 | C16 | F29 | 179.9° | 179.8° |
| C17 | C01 | C02 | H1 | 145.6° | 39.8° |
| C17 | C01 | C02 | H2 | 27.3° | 159.7° |
| C17 | C01 | C13 | H7 | 179.8° | 179.8° |
| C01 | C17 | C16 | H9 | 180.0° | 179.7° |
| C02 | C03 | C04 | C06 | 130.7° | 120.0° |
| C02 | C03 | C04 | N05 | 116.1° | 120.0° |
| C02 | C03 | C06 | N05 | 115.2° | 120.0° |
| C02 | C03 | C04 | O12 | 72.5° | 60.0° |
| C02 | C03 | C06 | O07 | 114.3° | 175.0° |
| C03 | C02 | H1 | H2 | 117.6° | 120.0° |
| C02 | C03 | C04 | H3 | 167.6° | 60.1° |
| C02 | C03 | C04 | H4 | 47.5° | 180.0° |
| C02 | C03 | C06 | H5 | 5.4° | 55.0° |
| C02 | C03 | C06 | H6 | 126.0° | 65.0° |
| C02 | C03 | N05 | H24 | 180.0° | 63.9° |
| C02 | C03 | N05 | H25 | 60.0° | 60.0° |
| C04 | C03 | C06 | N05 | 116.0° | 120.0° |
| C03 | C04 | O12 | H3 | 119.9° | 120.0° |
| C03 | C04 | O12 | H4 | 119.9° | 120.0° |
| C04 | C03 | C06 | O07 | 116.9° | 65.0° |
| C04 | C03 | C02 | H1 | 170.1° | 180.0° |
| C04 | C03 | C02 | H2 | 51.7° | 60.0° |
| C03 | C04 | H3 | H4 | 120.2° | 119.9° |
| C04 | C03 | C06 | H5 | 123.4° | 175.0° |
| C04 | C03 | C06 | H6 | 2.9° | 54.9° |
| C04 | C03 | N05 | H24 | 58.7° | 56.1° |
| C04 | C03 | N05 | H25 | 61.3° | 180.0° |
| C03 | C04 | O12 | H29 | 180.0° | 180.0° |
| C06 | C03 | C04 | O12 | 156.8° | 60.0° |
| C03 | C06 | O07 | H5 | 119.8° | 120.0° |
| C03 | C06 | O07 | H6 | 119.8° | 120.0° |
| C03 | C06 | O07 | P08 | 132.2° | 180.0° |
| C06 | C03 | C02 | H1 | 43.6° | 60.0° |
| C06 | C03 | C02 | H2 | 74.8° | 60.0° |
| C06 | C03 | C04 | H3 | 36.9° | 179.9° |
| C06 | C03 | C04 | H4 | 83.3° | 60.0° |
| C03 | C06 | H5 | H6 | 120.8° | 120.0° |
| C06 | C03 | N05 | H24 | 56.9° | 176.1° |
| C06 | C03 | N05 | H25 | 176.9° | 60.0° |
| N05 | C03 | C04 | O12 | 43.6° | 180.0° |
| N05 | C03 | C06 | O07 | 0.9° | 55.0° |
| N05 | C03 | C02 | H1 | 71.4° | 60.0° |
| N05 | C03 | C02 | H2 | 170.2° | 180.0° |
| N05 | C03 | C04 | H3 | 76.3° | 59.9° |
| N05 | C03 | C04 | H4 | 163.6° | 60.0° |
| N05 | C03 | C06 | H5 | 120.6° | 65.0° |
| N05 | C03 | C06 | H6 | 118.9° | 175.0° |
| C03 | N05 | H24 | H25 | 120.0° | 123.9° |
| O12 | C04 | H3 | H4 | 120.2° | 120.0° |
| C06 | O07 | P08 | O09 | 18.4° | 55.0° |
| C06 | O07 | P08 | O10 | 101.8° | 175.0° |
| C06 | O07 | P08 | O11 | 139.7° | 65.0° |
| O07 | C06 | H5 | H6 | 120.7° | 119.9° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | C18 | 179.8° | 180.0° |
| C14 | C15 | C16 | C18 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C14 | C15 | C18 | N19 | 162.0° | 180.0° |
| C14 | C15 | C18 | N22 | 18.6° | 0.3° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H9 | 179.8° | 179.9° |
| C15 | C16 | C17 | H9 | 180.0° | 179.8° |
| C15 | C16 | C17 | F29 | 179.9° | 179.8° |
| C16 | C15 | C18 | N19 | 18.5° | 0.0° |
| C16 | C15 | C18 | N22 | 160.9° | 179.7° |
| C16 | C15 | C14 | H8 | 179.8° | 179.9° |
| C18 | C15 | C16 | C17 | 179.8° | 179.8° |
| C15 | C18 | N19 | N22 | 179.5° | 179.7° |
| C15 | C18 | N19 | C20 | 179.5° | 180.0° |
| C15 | C18 | N22 | O21 | 179.6° | 180.0° |
| C18 | C15 | C14 | H8 | 0.2° | 0.0° |
| C18 | C15 | C16 | H9 | 0.2° | 0.0° |
| F29 | C17 | C16 | H9 | 0.1° | 0.1° |
| C18 | N19 | C20 | C23 | 179.9° | 179.9° |
| C18 | N19 | C20 | O21 | 0.1° | 0.2° |
| N19 | C18 | N22 | O21 | 0.1° | 0.3° |
| N22 | C18 | N19 | C20 | 0.0° | 0.3° |
| C18 | N22 | O21 | C20 | 0.2° | 0.2° |
| C23 | C20 | N19 | O21 | 179.9° | 179.9° |
| C20 | C23 | C24 | C28 | 178.6° | 179.7° |
| C20 | C23 | C24 | C25 | 179.5° | 180.0° |
| C20 | C23 | C28 | C27 | 179.4° | 179.7° |
| C23 | C20 | O21 | N22 | 179.9° | 179.9° |
| C20 | C23 | C24 | H10 | 0.5° | 0.1° |
| C20 | C23 | C28 | H12 | 0.6° | 0.0° |
| N19 | C20 | C23 | C24 | 11.2° | 0.1° |
| N19 | C20 | C23 | C28 | 170.3° | 179.7° |
| N19 | C20 | O21 | N22 | 0.2° | 0.0° |
| O21 | C20 | C23 | C24 | 168.9° | 179.8° |
| O21 | C20 | C23 | C28 | 9.6° | 0.1° |
| C23 | C24 | C25 | H10 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C24 | C23 | C28 | C27 | 0.8° | 0.6° |
| C23 | C24 | C25 | H11 | 179.5° | 180.0° |
| C24 | C23 | C28 | H12 | 179.2° | 179.7° |
| C28 | C23 | C24 | C25 | 0.9° | 0.3° |
| C23 | C28 | C27 | C26 | 0.3° | 0.6° |
| C23 | C28 | C27 | H12 | 180.0° | 179.7° |
| C23 | C28 | C27 | C30 | 179.5° | 179.7° |
| C28 | C23 | C24 | H10 | 179.1° | 179.8° |
| C24 | C25 | C26 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | C34 | 179.9° | 180.0° |
| C25 | C26 | C27 | C34 | 179.8° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C25 | C26 | C27 | C30 | 180.0° | 180.0° |
| C25 | C26 | C34 | C35 | 103.5° | 60.0° |
| C25 | C26 | C34 | C39 | 128.3° | 60.0° |
| C26 | C25 | C24 | H10 | 179.5° | 180.0° |
| C25 | C26 | C34 | H13 | 12.2° | 180.0° |
| C26 | C27 | C28 | C30 | 179.8° | 179.7° |
| C26 | C27 | C30 | F31 | 39.6° | 180.0° |
| C26 | C27 | C30 | F32 | 159.2° | 60.0° |
| C26 | C27 | C30 | F33 | 82.0° | 60.0° |
| C27 | C26 | C34 | C35 | 76.2° | 120.0° |
| C27 | C26 | C34 | C39 | 51.9° | 119.9° |
| C27 | C26 | C25 | H11 | 179.9° | 180.0° |
| C26 | C27 | C28 | H12 | 179.7° | 179.7° |
| C27 | C26 | C34 | H13 | 168.0° | 0.1° |
| C28 | C27 | C30 | F31 | 140.7° | 0.2° |
| C28 | C27 | C30 | F32 | 21.1° | 120.3° |
| C28 | C27 | C30 | F33 | 97.8° | 119.8° |
| C28 | C27 | C26 | C34 | 180.0° | 179.8° |
| C27 | C30 | F31 | F32 | 128.0° | 120.0° |
| C27 | C30 | F31 | F33 | 128.9° | 120.0° |
| C27 | C30 | F32 | F33 | 127.2° | 120.0° |
| C30 | C27 | C26 | C34 | 0.3° | 0.0° |
| C30 | C27 | C28 | H12 | 0.5° | 0.0° |
| F31 | C30 | F32 | F33 | 104.1° | 120.0° |
| C35 | C34 | C39 | C26 | 129.7° | 120.0° |
| C35 | C34 | C39 | H13 | 115.0° | 120.0° |
| C34 | C35 | C36 | H14 | 120.5° | 120.0° |
| C34 | C35 | C36 | H15 | 120.5° | 120.0° |
| C34 | C35 | C36 | C37 | 27.9° | 60.0° |
| C35 | C34 | C39 | C38 | 58.6° | 60.0° |
| C35 | C34 | C26 | H13 | 115.7° | 119.9° |
| C34 | C35 | H14 | H15 | 118.6° | 120.0° |
| C34 | C35 | C36 | H16 | 92.5° | 180.0° |
| C34 | C35 | C36 | H17 | 148.3° | 60.0° |
| C35 | C34 | C39 | H22 | 179.0° | 180.0° |
| C35 | C34 | C39 | H23 | 61.9° | 60.0° |
| C39 | C34 | C35 | C36 | 30.6° | 60.0° |
| C34 | C39 | C38 | C37 | 23.8° | 60.0° |
| C34 | C39 | C38 | H22 | 120.5° | 120.0° |
| C34 | C39 | C38 | H23 | 120.5° | 120.0° |
| C39 | C34 | C26 | H13 | 116.1° | 120.0° |
| C39 | C34 | C35 | H14 | 89.8° | 60.0° |
| C39 | C34 | C35 | H15 | 151.1° | 180.0° |
| C34 | C39 | C38 | H20 | 144.3° | 180.0° |
| C34 | C39 | C38 | H21 | 96.7° | 60.0° |
| C34 | C39 | H22 | H23 | 118.6° | 120.0° |
| C35 | C36 | C37 | H16 | 120.4° | 120.0° |
| C35 | C36 | C37 | H17 | 120.4° | 120.0° |
| C35 | C36 | C37 | C38 | 64.9° | 60.0° |
| C36 | C35 | C34 | C26 | 160.7° | 180.0° |
| C36 | C35 | C34 | H13 | 84.3° | 60.0° |
| C36 | C35 | H14 | H15 | 118.6° | 120.0° |
| C35 | C36 | H16 | H17 | 118.7° | 120.0° |
| C35 | C36 | C37 | H18 | 174.8° | 60.0° |
| C35 | C36 | C37 | H19 | 55.4° | 180.0° |
| C36 | C37 | C38 | H18 | 120.3° | 120.0° |
| C36 | C37 | C38 | H19 | 120.3° | 120.0° |
| C36 | C37 | C38 | C39 | 35.9° | 60.0° |
| C37 | C36 | C35 | H14 | 148.4° | 60.0° |
| C37 | C36 | C35 | H15 | 92.5° | 180.0° |
| C37 | C36 | H16 | H17 | 118.7° | 119.9° |
| C36 | C37 | H18 | H19 | 119.1° | 120.0° |
| C36 | C37 | C38 | H20 | 84.6° | 180.0° |
| C36 | C37 | C38 | H21 | 156.4° | 60.0° |
| C37 | C38 | C39 | H20 | 120.5° | 120.0° |
| C37 | C38 | C39 | H21 | 120.5° | 120.0° |
| C38 | C37 | C36 | H16 | 55.5° | 180.0° |
| C38 | C37 | C36 | H17 | 174.7° | 60.0° |
| C38 | C37 | H18 | H19 | 119.0° | 120.1° |
| C37 | C38 | H20 | H21 | 118.5° | 120.0° |
| C37 | C38 | C39 | H22 | 144.2° | 180.0° |
| C37 | C38 | C39 | H23 | 96.7° | 60.0° |
| C38 | C39 | C34 | C26 | 171.8° | 180.0° |
| C38 | C39 | C34 | H13 | 56.4° | 60.0° |
| C39 | C38 | C37 | H18 | 156.2° | 60.0° |
| C39 | C38 | C37 | H19 | 84.4° | 180.0° |
| C39 | C38 | H20 | H21 | 118.5° | 120.0° |
| C38 | C39 | H22 | H23 | 118.6° | 120.0° |
| O07 | P08 | O09 | O10 | 103.5° | 120.0° |
| O07 | P08 | O09 | O11 | 105.4° | 120.0° |
| O07 | P08 | O10 | O11 | 101.7° | 120.0° |
| P08 | O07 | C06 | H5 | 108.0° | 60.0° |
| P08 | O07 | C06 | H6 | 12.4° | 60.0° |
| O07 | P08 | O10 | H27 | 106.9° | 180.0° |
| O07 | P08 | O11 | H28 | 107.9° | 60.0° |
| O09 | P08 | O10 | O11 | 151.4° | 120.1° |
| O09 | P08 | O10 | H27 | 0.0° | 60.1° |
| O09 | P08 | O11 | H28 | 0.0° | 180.0° |
| O10 | P08 | O11 | H28 | 151.2° | 59.9° |
| O11 | P08 | O10 | H27 | 151.4° | 60.0° |
| C34 | C26 | C25 | H11 | 0.1° | 0.1° |
| C26 | C34 | C35 | H14 | 40.2° | 60.0° |
| C26 | C34 | C35 | H15 | 78.9° | 60.0° |
| C26 | C34 | C39 | H22 | 51.3° | 60.0° |
| C26 | C34 | C39 | H23 | 67.8° | 60.0° |
| H3 | C04 | O12 | H29 | 60.1° | 60.0° |
| H4 | C04 | O12 | H29 | 60.1° | 60.0° |
| H7 | C13 | C14 | H8 | 0.0° | 0.0° |
| H10 | C24 | C25 | H11 | 0.4° | 0.0° |
| H13 | C34 | C35 | H14 | 155.2° | 180.0° |
| H13 | C34 | C35 | H15 | 36.1° | 60.0° |
| H13 | C34 | C39 | H22 | 64.1° | 60.0° |
| H13 | C34 | C39 | H23 | 176.8° | 180.0° |
| H14 | C35 | C36 | H16 | 28.0° | 60.0° |
| H14 | C35 | C36 | H17 | 91.2° | 180.0° |
| H15 | C35 | C36 | H16 | 147.0° | 60.0° |
| H15 | C35 | C36 | H17 | 27.9° | 60.1° |
| H16 | C36 | C37 | H18 | 64.8° | 60.0° |
| H16 | C36 | C37 | H19 | 175.9° | 60.0° |
| H17 | C36 | C37 | H18 | 54.4° | 180.0° |
| H17 | C36 | C37 | H19 | 65.0° | 60.0° |
| H18 | C37 | C38 | H20 | 35.7° | 60.0° |
| H18 | C37 | C38 | H21 | 83.3° | NaN° |
| H19 | C37 | C38 | H20 | 155.1° | 60.0° |
| H19 | C37 | C38 | H21 | 36.1° | 60.0° |
| H20 | C38 | C39 | H22 | 95.3° | 60.0° |
| H20 | C38 | C39 | H23 | 23.8° | 60.0° |
| H21 | C38 | C39 | H22 | 23.7° | 60.0° |
| H21 | C38 | C39 | H23 | 142.8° | 180.0° |
