7FR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C06 | doub | 1.38Å | 1.35Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.35Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.36Å | |
| C02 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.55Å | 1.55Å | |
| C14 | C10 | sing | 1.52Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C05 | C10 | sing | 1.50Å | 1.52Å | |
| C05 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.39Å | 1.35Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.52Å | |
| N01 | C17 | doub | 1.29Å | 1.27Å | |
| C12 | C27 | sing | 1.53Å | 1.55Å | |
| C12 | C17 | sing | 1.50Å | 1.51Å | |
| C12 | C11 | sing | 1.56Å | 1.53Å | |
| C09 | C11 | sing | 1.52Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C11 | C15 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| O01 | H19 | sing | 0.97Å | 0.95Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N01 | C1 | sing | 1.37Å | 24.22Å | |
| C1 | C2 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C7 | C9 | sing | 1.53Å | 0.00Å | |
| C2 | H20 | sing | 1.08Å | 0.00Å | |
| C3 | H24 | sing | 1.08Å | 0.00Å | |
| C5 | H25 | sing | 1.08Å | 0.00Å | |
| C6 | H26 | sing | 1.08Å | 0.00Å | |
| C7 | H27 | sing | 1.09Å | 0.00Å | |
| C8 | H28 | sing | 1.09Å | 0.00Å | |
| C8 | H29 | sing | 1.09Å | 0.00Å | |
| C8 | H30 | sing | 1.09Å | 0.00Å | |
| C9 | H31 | sing | 1.09Å | 0.00Å | |
| C9 | H32 | sing | 1.09Å | 0.00Å | |
| C9 | H33 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 120.8° | 119.6° |
| C01 | C06 | C05 | 121.4° | 120.6° |
| C06 | C01 | H1 | 119.6° | 120.2° |
| C01 | C06 | H3 | 119.3° | 119.7° |
| C01 | C02 | O01 | 121.4° | 120.1° |
| C01 | C02 | C03 | 117.7° | 119.7° |
| C02 | C01 | H1 | 119.6° | 120.1° |
| C06 | C05 | C10 | 120.5° | 118.2° |
| C06 | C05 | C04 | 118.2° | 119.9° |
| C05 | C06 | H3 | 119.3° | 119.7° |
| O01 | C02 | C03 | 120.9° | 120.2° |
| C02 | O01 | H19 | 109.5° | 114.0° |
| C02 | C03 | C04 | 122.2° | 120.6° |
| C02 | C03 | H2 | 118.9° | 119.7° |
| C13 | C14 | C10 | 114.2° | 110.5° |
| C14 | C13 | C12 | 113.1° | 107.1° |
| C14 | C13 | H11 | 108.5° | 109.7° |
| C14 | C13 | H12 | 108.5° | 110.6° |
| C13 | C14 | H13 | 108.3° | 109.3° |
| C13 | C14 | H14 | 108.3° | 109.2° |
| C14 | C10 | C05 | 115.0° | 111.8° |
| C14 | C10 | C09 | 110.6° | 111.6° |
| C14 | C10 | H9 | 106.4° | 107.4° |
| C10 | C14 | H13 | 108.3° | 109.0° |
| C10 | C14 | H14 | 108.3° | 109.6° |
| C13 | C12 | C27 | 111.5° | 109.3° |
| C13 | C12 | C17 | 117.0° | 116.9° |
| C13 | C12 | C11 | 106.8° | 108.1° |
| C12 | C13 | H11 | 108.6° | 109.8° |
| C12 | C13 | H12 | 108.5° | 109.9° |
| C10 | C05 | C04 | 121.3° | 121.9° |
| C05 | C10 | C09 | 111.2° | 109.9° |
| C05 | C10 | H9 | 106.7° | 107.9° |
| C05 | C04 | C03 | 119.6° | 119.6° |
| C05 | C04 | C07 | 123.1° | 122.9° |
| C10 | C09 | C11 | 107.8° | 107.1° |
| C10 | C09 | C08 | 109.8° | 107.8° |
| C10 | C09 | H8 | 109.1° | 110.7° |
| C09 | C10 | H9 | 106.3° | 108.0° |
| C03 | C04 | C07 | 117.3° | 117.6° |
| C04 | C03 | H2 | 118.9° | 119.7° |
| C04 | C07 | C08 | 114.5° | 111.4° |
| C04 | C07 | H4 | 108.2° | 109.1° |
| C04 | C07 | H5 | 108.2° | 109.1° |
| N01 | C17 | C12 | 119.0° | 127.0° |
| N01 | C17 | C16 | 129.7° | 127.0° |
| C17 | N01 | C1 | 98.9° | 120.0° |
| C27 | C12 | C17 | 106.9° | 109.4° |
| C27 | C12 | C11 | 115.7° | 109.2° |
| C12 | C27 | H21 | 109.5° | 109.5° |
| C12 | C27 | H22 | 109.5° | 109.5° |
| C12 | C27 | H23 | 109.5° | 109.5° |
| C17 | C12 | C11 | 98.7° | 103.6° |
| C12 | C17 | C16 | 110.6° | 105.9° |
| C12 | C11 | C09 | 110.0° | 106.3° |
| C12 | C11 | C15 | 104.1° | 101.0° |
| C12 | C11 | H10 | 107.6° | 111.6° |
| C11 | C09 | C08 | 111.1° | 111.7° |
| C09 | C11 | C15 | 119.2° | 115.8° |
| C11 | C09 | H8 | 109.5° | 109.8° |
| C09 | C11 | H10 | 107.8° | 110.9° |
| C09 | C08 | C07 | 108.9° | 108.2° |
| C09 | C08 | H6 | 109.6° | 109.7° |
| C09 | C08 | H7 | 109.6° | 109.8° |
| C08 | C09 | H8 | 109.4° | 109.7° |
| C17 | C16 | C15 | 104.2° | 106.6° |
| C17 | C16 | H17 | 110.8° | 110.0° |
| C17 | C16 | H18 | 110.8° | 110.1° |
| C11 | C15 | C16 | 102.0° | 102.6° |
| C15 | C11 | H10 | 107.5° | 110.9° |
| C11 | C15 | H15 | 111.3° | 110.8° |
| C11 | C15 | H16 | 111.3° | 110.8° |
| C08 | C07 | H4 | 108.2° | 109.1° |
| C08 | C07 | H5 | 108.2° | 109.1° |
| C07 | C08 | H6 | 109.6° | 109.8° |
| C07 | C08 | H7 | 109.6° | 109.7° |
| C16 | C15 | H15 | 111.3° | 110.8° |
| C16 | C15 | H16 | 111.3° | 111.0° |
| C15 | C16 | H17 | 110.8° | 110.0° |
| C15 | C16 | H18 | 110.8° | 110.0° |
| H4 | C07 | H5 | 109.5° | 109.0° |
| H6 | C08 | H7 | 109.5° | 109.7° |
| H11 | C13 | H12 | 109.5° | 109.8° |
| H13 | C14 | H14 | 109.5° | 109.2° |
| H15 | C15 | H16 | 109.5° | 110.7° |
| H17 | C16 | H18 | 109.5° | 110.1° |
| H21 | C27 | H22 | 109.5° | 109.4° |
| H21 | C27 | H23 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| N01 | C1 | C2 | 90.0° | 120.2° |
| N01 | C1 | C6 | 90.0° | 120.1° |
| C1 | C2 | C3 | 90.0° | 119.9° |
| C2 | C1 | C6 | 90.0° | 119.7° |
| C1 | C2 | H20 | 90.0° | 120.0° |
| C2 | C3 | C4 | 90.0° | 120.1° |
| C3 | C2 | H20 | 90.0° | 120.1° |
| C2 | C3 | H24 | 90.0° | 119.9° |
| C3 | C4 | C5 | 90.0° | 120.3° |
| C3 | C4 | C7 | 90.0° | 119.9° |
| C4 | C3 | H24 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.2° |
| C5 | C4 | C7 | 90.0° | 119.8° |
| C4 | C5 | H25 | 90.0° | 119.9° |
| C5 | C6 | C1 | 90.0° | 119.8° |
| C6 | C5 | H25 | 90.0° | 119.9° |
| C5 | C6 | H26 | 90.0° | 120.1° |
| C1 | C6 | H26 | 90.0° | 120.1° |
| C4 | C7 | C8 | 90.0° | 109.5° |
| C4 | C7 | C9 | 90.0° | 109.5° |
| C4 | C7 | H27 | 90.0° | 109.5° |
| C8 | C7 | C9 | 90.0° | 109.5° |
| C8 | C7 | H27 | 90.0° | 109.4° |
| C7 | C8 | H28 | 90.0° | 109.5° |
| C7 | C8 | H29 | 90.0° | 109.5° |
| C7 | C8 | H30 | 90.0° | 109.4° |
| C9 | C7 | H27 | 90.0° | 109.5° |
| C7 | C9 | H31 | 90.0° | 109.4° |
| C7 | C9 | H32 | 90.0° | 109.5° |
| C7 | C9 | H33 | 90.0° | 109.5° |
| H28 | C8 | H29 | 90.0° | 109.5° |
| H28 | C8 | H30 | 90.0° | 109.5° |
| H29 | C8 | H30 | 90.0° | 109.5° |
| H31 | C9 | H32 | 90.0° | 109.5° |
| H31 | C9 | H33 | 90.0° | 109.5° |
| H32 | C9 | H33 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C01 | C06 | C05 | H3 | 180.0° | 179.9° |
| C06 | C01 | C02 | O01 | 179.9° | 179.8° |
| C06 | C01 | C02 | C03 | 0.3° | 0.2° |
| C01 | C06 | C05 | C10 | 179.6° | 179.6° |
| C01 | C06 | C05 | C04 | 0.4° | 0.4° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | O01 | C03 | 179.6° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C02 | C01 | C06 | H3 | 179.9° | 179.9° |
| C01 | C02 | O01 | H19 | 180.0° | 90.0° |
| C06 | C05 | C10 | C14 | 31.4° | 34.1° |
| C06 | C05 | C10 | C04 | 179.2° | 179.9° |
| C06 | C05 | C10 | C09 | 158.1° | 158.6° |
| C06 | C05 | C04 | C03 | 0.6° | 0.5° |
| C06 | C05 | C04 | C07 | 179.7° | 179.1° |
| C05 | C06 | C01 | H1 | 180.0° | 179.8° |
| C06 | C05 | C10 | H9 | 86.3° | 83.8° |
| O01 | C02 | C03 | C04 | 179.6° | 179.9° |
| O01 | C02 | C01 | H1 | 0.1° | 0.0° |
| O01 | C02 | C03 | H2 | 0.4° | 0.2° |
| C02 | C03 | C04 | C05 | 0.4° | 0.3° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | C07 | 179.9° | 179.3° |
| C03 | C02 | C01 | H1 | 179.7° | 180.0° |
| C03 | C02 | O01 | H19 | 0.4° | 90.0° |
| C13 | C14 | C10 | H13 | 120.7° | 120.1° |
| C13 | C14 | C10 | H14 | 120.7° | 120.4° |
| C14 | C13 | C12 | H11 | 120.5° | 119.1° |
| C14 | C13 | C12 | H12 | 120.5° | 120.1° |
| C13 | C14 | C10 | C05 | 174.1° | 179.7° |
| C13 | C14 | C10 | C09 | 47.1° | 56.1° |
| C14 | C13 | C12 | C27 | 73.2° | 54.6° |
| C14 | C13 | C12 | C17 | 163.3° | 179.4° |
| C14 | C13 | C12 | C11 | 54.1° | 64.2° |
| C13 | C14 | C10 | H9 | 68.0° | 62.1° |
| C14 | C13 | H11 | H12 | 118.3° | 121.7° |
| C13 | C14 | H13 | H14 | 117.8° | 119.4° |
| C10 | C14 | C13 | C12 | 46.9° | 57.4° |
| C14 | C10 | C05 | C09 | 126.7° | 124.5° |
| C14 | C10 | C05 | H9 | 117.7° | 117.9° |
| C14 | C10 | C05 | C04 | 147.8° | 146.0° |
| C14 | C10 | C09 | H9 | 115.1° | 117.8° |
| C14 | C10 | C09 | C11 | 56.6° | 59.9° |
| C14 | C10 | C09 | C08 | 177.8° | 179.7° |
| C14 | C10 | C09 | H8 | 62.3° | 59.7° |
| C10 | C14 | C13 | H11 | 73.7° | 176.5° |
| C10 | C14 | C13 | H12 | 167.4° | 62.3° |
| C10 | C14 | H13 | H14 | 117.9° | 119.7° |
| C13 | C12 | C17 | N01 | 28.9° | 31.4° |
| C13 | C12 | C27 | C17 | 129.0° | 129.1° |
| C13 | C12 | C27 | C11 | 122.3° | 118.1° |
| C13 | C12 | C17 | C11 | 113.9° | 118.7° |
| C13 | C12 | C11 | C09 | 66.0° | 69.8° |
| C13 | C12 | C17 | C16 | 142.6° | 148.6° |
| C13 | C12 | C11 | C15 | 165.1° | 169.0° |
| C13 | C12 | C11 | H10 | 51.1° | 51.2° |
| C12 | C13 | H11 | H12 | 118.3° | 120.9° |
| C12 | C13 | C14 | H13 | 73.8° | 177.3° |
| C12 | C13 | C14 | H14 | 167.6° | 63.2° |
| C13 | C12 | C27 | H21 | 180.0° | 72.3° |
| C13 | C12 | C27 | H22 | 60.0° | 47.7° |
| C13 | C12 | C27 | H23 | 60.0° | 167.7° |
| C05 | C10 | C09 | H9 | 115.8° | 117.6° |
| C10 | C05 | C04 | C03 | 179.9° | 179.4° |
| C10 | C05 | C04 | C07 | 0.4° | 0.9° |
| C05 | C10 | C09 | C11 | 174.3° | 175.5° |
| C05 | C10 | C09 | C08 | 53.1° | 55.1° |
| C10 | C05 | C06 | H3 | 0.4° | 0.4° |
| C05 | C10 | C09 | H8 | 66.8° | 64.9° |
| C05 | C10 | C14 | H13 | 53.5° | 60.2° |
| C05 | C10 | C14 | H14 | 65.1° | 59.2° |
| C04 | C05 | C10 | C09 | 21.1° | 21.5° |
| C05 | C04 | C03 | C07 | 179.7° | 179.7° |
| C05 | C04 | C07 | C08 | 10.2° | 14.6° |
| C05 | C04 | C03 | H2 | 179.6° | 179.8° |
| C04 | C05 | C06 | H3 | 179.6° | 179.7° |
| C05 | C04 | C07 | H4 | 110.5° | 105.9° |
| C05 | C04 | C07 | H5 | 130.9° | 135.2° |
| C04 | C05 | C10 | H9 | 94.4° | 96.1° |
| C10 | C09 | C11 | C12 | 68.3° | 65.0° |
| C10 | C09 | C11 | C08 | 120.3° | 117.8° |
| C10 | C09 | C11 | H8 | 118.6° | 120.2° |
| C10 | C09 | C08 | H8 | 119.8° | 120.6° |
| C10 | C09 | C11 | C15 | 171.6° | 176.1° |
| C10 | C09 | C08 | C07 | 63.5° | 70.3° |
| C10 | C09 | C08 | H6 | 56.4° | 170.0° |
| C10 | C09 | C08 | H7 | 176.6° | 49.4° |
| C10 | C09 | C11 | H10 | 48.8° | 56.5° |
| C09 | C10 | C14 | H13 | 73.5° | 176.2° |
| C09 | C10 | C14 | H14 | 167.9° | 64.4° |
| C03 | C04 | C07 | C08 | 169.5° | 165.7° |
| C03 | C04 | C07 | H4 | 69.7° | 73.8° |
| C03 | C04 | C07 | H5 | 48.8° | 45.2° |
| C04 | C07 | C08 | C09 | 41.6° | 48.3° |
| C04 | C07 | C08 | H4 | 120.7° | 120.5° |
| C04 | C07 | C08 | H5 | 120.7° | 120.5° |
| C07 | C04 | C03 | H2 | 0.2° | 0.6° |
| C04 | C07 | H4 | H5 | 117.7° | 119.0° |
| C04 | C07 | C08 | H6 | 78.3° | 168.0° |
| C04 | C07 | C08 | H7 | 161.5° | 71.4° |
| N01 | C17 | C12 | C27 | 96.8° | 93.4° |
| N01 | C17 | C12 | C16 | 171.5° | 180.0° |
| N01 | C17 | C12 | C11 | 142.8° | 150.2° |
| N01 | C17 | C16 | C15 | 167.0° | 175.9° |
| N01 | C17 | C16 | H17 | 47.9° | 64.8° |
| N01 | C17 | C16 | H18 | 73.8° | 56.7° |
| C17 | N01 | C1 | C2 | 90.0° | 67.8° |
| C17 | N01 | C1 | C6 | 90.0° | 112.5° |
| C27 | C12 | C17 | C11 | 120.3° | 116.4° |
| C27 | C12 | C11 | C09 | 58.7° | 49.1° |
| C27 | C12 | C17 | C16 | 91.6° | 86.6° |
| C27 | C12 | C11 | C15 | 70.2° | 72.1° |
| C27 | C12 | C11 | H10 | 175.9° | 170.0° |
| C27 | C12 | C13 | H11 | 166.2° | 64.5° |
| C27 | C12 | C13 | H12 | 47.3° | 174.7° |
| C12 | C27 | H21 | H22 | 120.0° | 120.1° |
| C12 | C27 | H21 | H23 | 120.0° | 120.0° |
| C12 | C27 | H22 | H23 | 120.0° | 120.1° |
| C17 | C12 | C11 | C09 | 172.3° | 165.5° |
| C17 | C12 | C11 | C15 | 43.4° | 44.4° |
| C12 | C17 | C16 | C15 | 3.3° | 4.0° |
| C17 | C12 | C11 | H10 | 70.6° | 73.5° |
| C17 | C12 | C13 | H11 | 42.8° | 60.4° |
| C17 | C12 | C13 | H12 | 76.1° | 60.5° |
| C12 | C17 | C16 | H17 | 122.5° | 115.2° |
| C12 | C17 | C16 | H18 | 115.8° | 123.3° |
| C17 | C12 | C27 | H21 | 51.0° | 56.8° |
| C17 | C12 | C27 | H22 | 69.0° | 176.8° |
| C17 | C12 | C27 | H23 | 171.0° | 63.2° |
| C12 | C17 | N01 | C1 | 12.2° | 6.7° |
| C12 | C11 | C09 | C15 | 120.1° | 111.2° |
| C12 | C11 | C09 | H10 | 117.1° | 121.4° |
| C12 | C11 | C09 | C08 | 171.4° | 177.2° |
| C11 | C12 | C17 | C16 | 28.7° | 29.8° |
| C12 | C11 | C15 | H10 | 114.0° | 118.3° |
| C12 | C11 | C15 | C16 | 42.8° | 40.8° |
| C12 | C11 | C09 | H8 | 50.3° | 55.2° |
| C11 | C12 | C13 | H11 | 66.5° | 176.7° |
| C11 | C12 | C13 | H12 | 174.6° | 55.9° |
| C12 | C11 | C15 | H15 | 75.9° | 77.4° |
| C12 | C11 | C15 | H16 | 161.7° | 159.3° |
| C11 | C12 | C27 | H21 | 57.7° | 169.6° |
| C11 | C12 | C27 | H22 | 177.7° | 70.4° |
| C11 | C12 | C27 | H23 | 62.3° | 49.6° |
| C11 | C09 | C08 | H8 | 121.1° | 122.0° |
| C09 | C11 | C15 | H10 | 122.9° | 127.4° |
| C11 | C09 | C08 | C07 | 177.3° | 172.3° |
| C09 | C11 | C15 | C16 | 165.9° | 155.1° |
| C11 | C09 | C08 | H6 | 62.8° | 52.6° |
| C11 | C09 | C08 | H7 | 57.4° | 68.0° |
| C11 | C09 | C10 | H9 | 58.5° | 57.9° |
| C09 | C11 | C15 | H15 | 47.1° | 36.8° |
| C09 | C11 | C15 | H16 | 75.3° | 86.4° |
| C08 | C09 | C11 | C15 | 51.3° | 66.0° |
| C09 | C08 | C07 | H6 | 119.9° | 119.7° |
| C09 | C08 | C07 | H7 | 119.9° | 119.7° |
| C09 | C08 | C07 | H4 | 79.1° | 72.2° |
| C09 | C08 | C07 | H5 | 162.4° | 168.8° |
| C09 | C08 | H6 | H7 | 120.3° | 120.7° |
| C08 | C09 | C10 | H9 | 62.7° | 62.5° |
| C08 | C09 | C11 | H10 | 71.5° | 61.4° |
| C17 | C16 | C15 | C11 | 23.7° | 23.5° |
| C17 | C16 | C15 | H17 | 119.1° | 119.2° |
| C17 | C16 | C15 | H18 | 119.1° | 119.3° |
| C17 | C16 | C15 | H15 | 95.1° | 94.7° |
| C17 | C16 | C15 | H16 | 142.5° | 141.9° |
| C17 | C16 | H17 | H18 | 122.4° | 121.5° |
| C16 | C17 | N01 | C1 | 157.5° | 173.4° |
| C11 | C15 | C16 | H15 | 118.8° | 118.3° |
| C11 | C15 | C16 | H16 | 118.8° | 118.4° |
| C15 | C11 | C09 | H8 | 69.8° | 56.0° |
| C11 | C15 | H15 | H16 | 123.4° | 123.3° |
| C11 | C15 | C16 | H17 | 95.4° | 142.8° |
| C11 | C15 | C16 | H18 | 142.9° | 95.8° |
| C08 | C07 | H4 | H5 | 117.7° | 119.1° |
| C07 | C08 | H6 | H7 | 120.3° | 120.6° |
| C07 | C08 | C09 | H8 | 56.2° | 50.3° |
| C16 | C15 | C11 | H10 | 71.2° | 77.5° |
| C16 | C15 | H15 | H16 | 123.5° | 123.5° |
| C15 | C16 | H17 | H18 | 122.5° | 121.4° |
| H1 | C01 | C06 | H3 | 0.1° | 0.2° |
| H4 | C07 | C08 | H6 | 161.0° | 47.5° |
| H4 | C07 | C08 | H7 | 40.8° | 168.1° |
| H5 | C07 | C08 | H6 | 42.4° | 71.5° |
| H5 | C07 | C08 | H7 | 77.8° | 49.1° |
| H6 | C08 | C09 | H8 | 176.1° | 69.4° |
| H7 | C08 | C09 | H8 | 63.7° | 170.0° |
| H8 | C09 | C10 | H9 | 177.4° | 177.5° |
| H8 | C09 | C11 | H10 | 167.4° | 176.7° |
| H9 | C10 | C14 | H13 | 171.4° | 58.0° |
| H9 | C10 | C14 | H14 | 52.8° | 177.5° |
| H10 | C11 | C15 | H15 | 170.1° | 164.2° |
| H10 | C11 | C15 | H16 | 47.7° | 41.0° |
| H11 | C13 | C14 | H13 | 165.6° | 63.5° |
| H11 | C13 | C14 | H14 | 47.0° | 55.9° |
| H12 | C13 | C14 | H13 | 46.7° | 57.7° |
| H12 | C13 | C14 | H14 | 71.9° | 177.1° |
| H15 | C15 | C16 | H17 | 145.8° | 24.5° |
| H15 | C15 | C16 | H18 | 24.1° | 146.0° |
| H16 | C15 | C16 | H17 | 23.4° | 98.9° |
| H16 | C15 | C16 | H18 | 98.3° | 22.6° |
| H21 | C27 | H22 | H23 | 120.0° | 119.9° |
| N01 | C1 | C2 | C6 | 90.0° | 179.8° |
| N01 | C1 | C2 | C3 | 90.0° | 180.0° |
| N01 | C1 | C6 | C5 | 90.0° | 179.7° |
| N01 | C1 | C2 | H20 | 90.0° | 0.0° |
| N01 | C1 | C6 | H26 | 90.0° | 0.3° |
| C1 | C2 | C3 | H20 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.1° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | H24 | 90.0° | 179.9° |
| C2 | C1 | C6 | H26 | 90.0° | 180.0° |
| C2 | C3 | C4 | H24 | 90.0° | 180.0° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C1 | C6 | 90.0° | 0.2° |
| C2 | C3 | C4 | C7 | 90.0° | 179.9° |
| C3 | C4 | C5 | C7 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.3° |
| C3 | C4 | C7 | C8 | 90.0° | 120.0° |
| C3 | C4 | C7 | C9 | 90.0° | 120.0° |
| C4 | C3 | C2 | H20 | 90.0° | 180.0° |
| C3 | C4 | C5 | H25 | 90.0° | 180.0° |
| C3 | C4 | C7 | H27 | 90.0° | 0.0° |
| C4 | C5 | C6 | H25 | 90.0° | 179.7° |
| C4 | C5 | C6 | C1 | 90.0° | 0.6° |
| C5 | C4 | C7 | C8 | 90.0° | 60.1° |
| C5 | C4 | C7 | C9 | 90.0° | 60.0° |
| C5 | C4 | C3 | H24 | 90.0° | 180.0° |
| C4 | C5 | C6 | H26 | 90.0° | 180.0° |
| C5 | C4 | C7 | H27 | 90.0° | 180.0° |
| C5 | C6 | C1 | H26 | 90.0° | 179.5° |
| C6 | C5 | C4 | C7 | 90.0° | 179.7° |
| C6 | C1 | C2 | H20 | 90.0° | 179.7° |
| C1 | C6 | C5 | H25 | 90.0° | 179.7° |
| C4 | C7 | C8 | C9 | 90.0° | 120.1° |
| C4 | C7 | C8 | H27 | 90.0° | 120.0° |
| C4 | C7 | C9 | H27 | 90.0° | 120.0° |
| C7 | C4 | C3 | H24 | 90.0° | 0.1° |
| C7 | C4 | C5 | H25 | 90.0° | 0.0° |
| C4 | C7 | C8 | H28 | 90.0° | 180.0° |
| C4 | C7 | C8 | H29 | 90.0° | 60.0° |
| C4 | C7 | C8 | H30 | 90.0° | 60.0° |
| C4 | C7 | C9 | H31 | 90.0° | 60.0° |
| C4 | C7 | C9 | H32 | 90.0° | 179.9° |
| C4 | C7 | C9 | H33 | 90.0° | 60.0° |
| C8 | C7 | C9 | H27 | 90.0° | 119.9° |
| C7 | C8 | H28 | H29 | 90.0° | 120.0° |
| C7 | C8 | H28 | H30 | 90.0° | 119.9° |
| C7 | C8 | H29 | H30 | 90.0° | 120.0° |
| C8 | C7 | C9 | H31 | 90.0° | 180.0° |
| C8 | C7 | C9 | H32 | 90.0° | 60.0° |
| C8 | C7 | C9 | H33 | 90.0° | 60.1° |
| C9 | C7 | C8 | H28 | 90.0° | 59.9° |
| C9 | C7 | C8 | H29 | 90.0° | 180.0° |
| C9 | C7 | C8 | H30 | 90.0° | 60.0° |
| C7 | C9 | H31 | H32 | 90.0° | 120.0° |
| C7 | C9 | H31 | H33 | 90.0° | 120.0° |
| C7 | C9 | H32 | H33 | 90.0° | 120.0° |
| H20 | C2 | C3 | H24 | 90.0° | 0.0° |
| H25 | C5 | C6 | H26 | 90.0° | 0.3° |
| H27 | C7 | C8 | H28 | 90.0° | 60.0° |
| H27 | C7 | C8 | H29 | 90.0° | 60.0° |
| H27 | C7 | C8 | H30 | 90.0° | 180.0° |
| H27 | C7 | C9 | H31 | 90.0° | 60.0° |
| H27 | C7 | C9 | H32 | 90.0° | 59.9° |
| H27 | C7 | C9 | H33 | 90.0° | NaN° |
| H28 | C8 | H29 | H30 | 90.0° | 120.0° |
| H31 | C9 | H32 | H33 | 90.0° | 120.0° |
