JER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | O33 | sing | 1.43Å | 1.40Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O05 | C04 | sing | 1.43Å | 1.43Å | |
| O05 | C06 | sing | 1.36Å | 1.42Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C06 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.55Å | |
| C07 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.48Å | 1.37Å | |
| C15 | N19 | sing | 1.35Å | 1.32Å | Aromatic |
| C15 | N16 | doub | 1.31Å | 1.30Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| N16 | O17 | sing | 1.21Å | 1.36Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | O17 | sing | 1.34Å | 1.32Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.39Å | |
| O23 | C24 | sing | 1.43Å | 1.42Å | |
| O23 | C22 | sing | 1.36Å | 1.41Å | |
| C20 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | N25 | doub | 1.32Å | 1.32Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.31Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | sing | 1.51Å | 1.55Å | |
| C29 | C28 | sing | 1.54Å | 1.35Å | |
| C29 | C30 | sing | 1.55Å | 1.59Å | |
| C28 | C32 | sing | 1.54Å | 1.65Å | |
| C30 | C31 | sing | 1.55Å | 1.58Å | |
| C32 | C31 | sing | 1.54Å | 1.36Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| O01 | H30 | sing | 0.97Å | 0.95Å | |
| O33 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 109.6° | 109.5° |
| O01 | C02 | H4 | 109.4° | 109.5° |
| O01 | C02 | H5 | 109.4° | 109.4° |
| C02 | O01 | H30 | 109.5° | 114.0° |
| C02 | C03 | O33 | 108.5° | 109.5° |
| C02 | C03 | C04 | 111.2° | 109.5° |
| C03 | C02 | H4 | 109.4° | 109.5° |
| C03 | C02 | H5 | 109.4° | 109.5° |
| C02 | C03 | H6 | 109.2° | 109.4° |
| O33 | C03 | C04 | 107.6° | 109.5° |
| O33 | C03 | H6 | 111.2° | 109.4° |
| C03 | O33 | H31 | 109.5° | 114.0° |
| C03 | C04 | O05 | 105.0° | 109.5° |
| C04 | C03 | H6 | 109.1° | 109.5° |
| C03 | C04 | H7 | 110.6° | 109.5° |
| C03 | C04 | H8 | 110.6° | 109.5° |
| C14 | C13 | C12 | 111.4° | 109.5° |
| C14 | C13 | H1 | 109.0° | 109.5° |
| C14 | C13 | H2 | 109.0° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C04 | O05 | C06 | 116.8° | 117.0° |
| O05 | C04 | H7 | 110.6° | 109.5° |
| O05 | C04 | H8 | 110.6° | 109.4° |
| O05 | C06 | C12 | 118.7° | 119.9° |
| O05 | C06 | C07 | 120.7° | 120.0° |
| C13 | C12 | C06 | 120.5° | 120.0° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | H1 | 109.0° | 109.4° |
| C12 | C13 | H2 | 109.0° | 109.5° |
| C12 | C06 | C07 | 120.5° | 120.1° |
| C06 | C12 | C11 | 119.6° | 120.1° |
| C06 | C07 | C08 | 119.6° | 120.0° |
| C06 | C07 | C09 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.9° | 119.9° |
| C12 | C11 | H3 | 120.1° | 120.0° |
| C08 | C07 | C09 | 120.4° | 120.0° |
| C07 | C08 | H9 | 109.5° | 109.5° |
| C07 | C08 | H10 | 109.5° | 109.5° |
| C07 | C08 | H11 | 109.5° | 109.5° |
| C07 | C09 | C10 | 119.0° | 120.0° |
| C07 | C09 | H12 | 120.5° | 120.0° |
| C11 | C10 | C09 | 120.9° | 119.8° |
| C11 | C10 | C15 | 118.6° | 120.1° |
| C10 | C11 | H3 | 120.0° | 120.0° |
| C09 | C10 | C15 | 120.4° | 120.1° |
| C10 | C09 | H12 | 120.5° | 120.0° |
| C10 | C15 | N19 | 125.7° | 126.3° |
| C10 | C15 | N16 | 124.9° | 126.3° |
| N19 | C15 | N16 | 109.4° | 107.3° |
| C15 | N19 | C18 | 108.7° | 105.5° |
| C15 | N16 | O17 | 106.7° | 110.3° |
| N19 | C18 | O17 | 107.3° | 106.9° |
| N19 | C18 | C20 | 127.3° | 126.5° |
| N16 | O17 | C18 | 108.0° | 109.9° |
| C20 | C21 | C22 | 119.4° | 119.0° |
| C21 | C20 | C18 | 121.7° | 120.9° |
| C21 | C20 | C27 | 117.2° | 118.2° |
| C20 | C21 | H16 | 120.3° | 120.5° |
| C21 | C22 | O23 | 120.2° | 119.6° |
| C21 | C22 | N25 | 121.1° | 120.7° |
| C22 | C21 | H16 | 120.3° | 120.5° |
| O17 | C18 | C20 | 125.4° | 126.5° |
| C18 | C20 | C27 | 121.0° | 120.9° |
| C24 | O23 | C22 | 112.6° | 117.0° |
| O23 | C24 | H17 | 109.5° | 109.5° |
| O23 | C24 | H18 | 109.5° | 109.5° |
| O23 | C24 | H19 | 109.5° | 109.5° |
| O23 | C22 | N25 | 118.7° | 119.6° |
| C20 | C27 | C26 | 120.5° | 119.2° |
| C20 | C27 | H20 | 119.8° | 120.4° |
| C22 | N25 | C26 | 121.8° | 122.0° |
| N25 | C26 | C27 | 120.0° | 120.9° |
| N25 | C26 | C28 | 120.2° | 119.5° |
| C27 | C26 | C28 | 119.8° | 119.5° |
| C26 | C27 | H20 | 119.7° | 120.4° |
| C26 | C28 | C29 | 102.5° | 110.0° |
| C26 | C28 | C32 | 120.6° | 110.1° |
| C26 | C28 | H21 | 108.6° | 110.0° |
| C28 | C29 | C30 | 104.6° | 104.2° |
| C29 | C28 | C32 | 106.1° | 106.6° |
| C29 | C28 | H21 | 111.4° | 110.0° |
| C28 | C29 | H22 | 110.7° | 110.5° |
| C28 | C29 | H23 | 110.7° | 110.5° |
| C29 | C30 | C31 | 104.3° | 102.7° |
| C30 | C29 | H22 | 110.7° | 110.5° |
| C30 | C29 | H23 | 110.7° | 110.5° |
| C29 | C30 | H24 | 110.7° | 110.7° |
| C29 | C30 | H25 | 110.8° | 110.7° |
| C28 | C32 | C31 | 107.6° | 106.6° |
| C32 | C28 | H21 | 107.4° | 110.1° |
| C28 | C32 | H28 | 109.9° | 110.0° |
| C28 | C32 | H29 | 109.9° | 110.0° |
| C30 | C31 | C32 | 107.0° | 104.2° |
| C31 | C30 | H24 | 110.7° | 110.8° |
| C31 | C30 | H25 | 110.7° | 110.8° |
| C30 | C31 | H26 | 110.1° | 110.5° |
| C30 | C31 | H27 | 110.1° | 110.4° |
| C32 | C31 | H26 | 110.1° | 110.5° |
| C32 | C31 | H27 | 110.1° | 110.6° |
| C31 | C32 | H28 | 109.9° | 110.1° |
| C31 | C32 | H29 | 109.9° | 110.0° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.4° | 109.5° |
| H9 | C08 | H11 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.4° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H22 | C29 | H23 | 109.5° | 110.6° |
| H24 | C30 | H25 | 109.5° | 110.9° |
| H26 | C31 | H27 | 109.5° | 110.4° |
| H28 | C32 | H29 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H4 | 120.0° | 120.0° |
| O01 | C02 | C03 | H5 | 120.0° | 120.0° |
| O01 | C02 | C03 | O33 | 42.1° | 65.0° |
| O01 | C02 | C03 | C04 | 160.3° | 175.0° |
| O01 | C02 | H4 | H5 | 119.9° | 119.9° |
| O01 | C02 | C03 | H6 | 79.2° | 54.9° |
| C02 | C03 | O33 | C04 | 120.4° | 120.0° |
| C02 | C03 | O33 | H6 | 120.1° | 119.9° |
| C02 | C03 | C04 | H6 | 120.5° | 120.0° |
| C02 | C03 | C04 | O05 | 54.6° | 175.0° |
| C03 | C02 | H4 | H5 | 119.9° | 120.0° |
| C02 | C03 | C04 | H7 | 64.7° | 55.0° |
| C02 | C03 | C04 | H8 | 173.9° | 65.0° |
| C03 | C02 | O01 | H30 | 180.0° | 179.9° |
| C02 | C03 | O33 | H31 | 180.0° | 60.0° |
| O33 | C03 | C04 | H6 | 120.7° | 120.0° |
| O33 | C03 | C04 | O05 | 173.4° | 65.0° |
| O33 | C03 | C02 | H4 | 162.2° | 55.0° |
| O33 | C03 | C02 | H5 | 77.9° | 175.0° |
| O33 | C03 | C04 | H7 | 54.1° | 175.0° |
| O33 | C03 | C04 | H8 | 67.4° | 55.0° |
| C03 | C04 | O05 | H7 | 119.3° | 120.0° |
| C03 | C04 | O05 | H8 | 119.3° | 120.0° |
| C03 | C04 | O05 | C06 | 170.2° | 180.0° |
| C04 | C03 | C02 | H4 | 79.7° | 65.0° |
| C04 | C03 | C02 | H5 | 40.3° | 55.0° |
| C03 | C04 | H7 | H8 | 122.1° | 120.0° |
| C04 | C03 | O33 | H31 | 59.6° | 60.0° |
| C14 | C13 | C12 | H1 | 120.3° | 120.0° |
| C14 | C13 | C12 | H2 | 120.3° | 120.0° |
| C14 | C13 | C12 | C06 | 97.2° | 85.0° |
| C14 | C13 | C12 | C11 | 82.8° | 95.0° |
| C14 | C13 | H1 | H2 | 119.1° | 120.0° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C04 | O05 | C06 | C12 | 128.4° | 90.0° |
| C04 | O05 | C06 | C07 | 52.7° | 89.4° |
| O05 | C04 | C03 | H6 | 65.9° | 55.0° |
| O05 | C04 | H7 | H8 | 122.0° | 120.0° |
| O05 | C06 | C12 | C13 | 0.6° | 0.1° |
| O05 | C06 | C12 | C07 | 178.9° | 179.4° |
| O05 | C06 | C12 | C11 | 179.3° | 179.9° |
| O05 | C06 | C07 | C08 | 0.9° | 0.6° |
| O05 | C06 | C07 | C09 | 179.3° | 179.8° |
| C06 | O05 | C04 | H7 | 70.5° | 60.0° |
| C06 | O05 | C04 | H8 | 50.9° | 60.0° |
| C13 | C12 | C06 | C11 | 180.0° | 179.9° |
| C13 | C12 | C06 | C07 | 179.5° | 179.5° |
| C13 | C12 | C11 | C10 | 179.8° | 179.9° |
| C12 | C13 | H1 | H2 | 119.1° | 120.0° |
| C13 | C12 | C11 | H3 | 0.2° | 0.3° |
| C12 | C13 | C14 | H13 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14 | 60.0° | 60.0° |
| C12 | C13 | C14 | H15 | 60.0° | 180.0° |
| C12 | C06 | C07 | C08 | 179.8° | 179.9° |
| C12 | C06 | C07 | C09 | 0.5° | 0.9° |
| C06 | C12 | C11 | C10 | 0.2° | 0.0° |
| C06 | C12 | C13 | H1 | 23.1° | 155.0° |
| C06 | C12 | C13 | H2 | 142.5° | 35.1° |
| C06 | C12 | C11 | H3 | 179.8° | 179.7° |
| C07 | C06 | C12 | C11 | 0.4° | 0.6° |
| C06 | C07 | C08 | C09 | 179.7° | 179.2° |
| C06 | C07 | C09 | C10 | 0.1° | 0.6° |
| C06 | C07 | C08 | H9 | 89.9° | 90.0° |
| C06 | C07 | C08 | H10 | 150.1° | 150.0° |
| C06 | C07 | C08 | H11 | 30.1° | 30.0° |
| C06 | C07 | C09 | H12 | 179.9° | 179.5° |
| C12 | C11 | C10 | H3 | 180.0° | 179.7° |
| C12 | C11 | C10 | C09 | 0.8° | 0.3° |
| C12 | C11 | C10 | C15 | 179.3° | 179.7° |
| C11 | C12 | C13 | H1 | 156.9° | 25.0° |
| C11 | C12 | C13 | H2 | 37.5° | 145.0° |
| C08 | C07 | C09 | C10 | 179.6° | 179.8° |
| C07 | C08 | H9 | H10 | 120.0° | 120.0° |
| C07 | C08 | H9 | H11 | 120.0° | 120.0° |
| C07 | C08 | H10 | H11 | 120.0° | 120.0° |
| C08 | C07 | C09 | H12 | 0.4° | 0.3° |
| C07 | C09 | C10 | C11 | 0.8° | 0.0° |
| C07 | C09 | C10 | H12 | 180.0° | 179.9° |
| C07 | C09 | C10 | C15 | 179.3° | 180.0° |
| C09 | C07 | C08 | H9 | 89.8° | 90.8° |
| C09 | C07 | C08 | H10 | 30.2° | 29.2° |
| C09 | C07 | C08 | H11 | 150.1° | 149.2° |
| C11 | C10 | C09 | C15 | 178.5° | 180.0° |
| C11 | C10 | C15 | N19 | 4.5° | 180.0° |
| C11 | C10 | C15 | N16 | 177.2° | 0.3° |
| C11 | C10 | C09 | H12 | 179.2° | 179.9° |
| C09 | C10 | C15 | N19 | 174.0° | 0.0° |
| C09 | C10 | C15 | N16 | 4.3° | 179.7° |
| C09 | C10 | C11 | H3 | 179.2° | 180.0° |
| C10 | C15 | N19 | N16 | 178.5° | 179.8° |
| C10 | C15 | N19 | C18 | 179.5° | 179.8° |
| C10 | C15 | N16 | O17 | 179.2° | 179.7° |
| C15 | C10 | C11 | H3 | 0.7° | 0.1° |
| C15 | C10 | C09 | H12 | 0.8° | 0.1° |
| N19 | C15 | N16 | O17 | 0.7° | 0.1° |
| C15 | N19 | C18 | O17 | 0.9° | 0.0° |
| C15 | N19 | C18 | C20 | 179.2° | 180.0° |
| N16 | C15 | N19 | C18 | 1.0° | 0.0° |
| C15 | N16 | O17 | C18 | 0.1° | 0.1° |
| N19 | C18 | O17 | N16 | 0.5° | 0.0° |
| N19 | C18 | C20 | C21 | 8.3° | 0.3° |
| N19 | C18 | O17 | C20 | 178.3° | 180.0° |
| N19 | C18 | C20 | C27 | 169.8° | 180.0° |
| N16 | O17 | C18 | C20 | 178.8° | 180.0° |
| C20 | C21 | C22 | H16 | 180.0° | 180.0° |
| C21 | C20 | C18 | O17 | 173.7° | 179.8° |
| C21 | C20 | C18 | C27 | 178.1° | 179.7° |
| C20 | C21 | C22 | O23 | 178.9° | 180.0° |
| C20 | C21 | C22 | N25 | 0.4° | 0.1° |
| C21 | C20 | C27 | C26 | 1.2° | 0.3° |
| C21 | C20 | C27 | H20 | 178.8° | 179.7° |
| C22 | C21 | C20 | C18 | 179.2° | 180.0° |
| C21 | C22 | O23 | C24 | 84.7° | 180.0° |
| C21 | C22 | O23 | N25 | 179.3° | 179.9° |
| C22 | C21 | C20 | C27 | 1.0° | 0.3° |
| C21 | C22 | N25 | C26 | 0.3° | 0.4° |
| O17 | C18 | C20 | C27 | 8.2° | 0.0° |
| C18 | C20 | C27 | C26 | 179.3° | 180.0° |
| C18 | C20 | C21 | H16 | 0.8° | 0.0° |
| C18 | C20 | C27 | H20 | 0.7° | 0.0° |
| C24 | O23 | C22 | N25 | 94.5° | 0.1° |
| O23 | C24 | H17 | H18 | 120.0° | 120.1° |
| O23 | C24 | H17 | H19 | 120.0° | 120.0° |
| O23 | C24 | H18 | H19 | 120.0° | 120.0° |
| O23 | C22 | N25 | C26 | 179.5° | 179.7° |
| O23 | C22 | C21 | H16 | 1.1° | 0.0° |
| C22 | O23 | C24 | H17 | 180.0° | 180.0° |
| C22 | O23 | C24 | H18 | 60.0° | 59.9° |
| C22 | O23 | C24 | H19 | 60.0° | 60.0° |
| C20 | C27 | C26 | N25 | 0.6° | 0.1° |
| C20 | C27 | C26 | H20 | 180.0° | 179.9° |
| C20 | C27 | C26 | C28 | 179.6° | 180.0° |
| C27 | C20 | C21 | H16 | 178.9° | 179.7° |
| C22 | N25 | C26 | C27 | 0.1° | 0.4° |
| C22 | N25 | C26 | C28 | 179.7° | 179.6° |
| N25 | C22 | C21 | H16 | 179.6° | 179.9° |
| N25 | C26 | C27 | C28 | 179.8° | 179.9° |
| N25 | C26 | C28 | C29 | 36.9° | 99.2° |
| N25 | C26 | C28 | C32 | 80.6° | 143.6° |
| N25 | C26 | C27 | H20 | 179.4° | 180.0° |
| N25 | C26 | C28 | H21 | 154.9° | 22.2° |
| C27 | C26 | C28 | C29 | 142.9° | 80.7° |
| C27 | C26 | C28 | C32 | 99.6° | 36.4° |
| C27 | C26 | C28 | H21 | 24.9° | 157.9° |
| C26 | C28 | C29 | C32 | 127.3° | 119.3° |
| C26 | C28 | C29 | H21 | 116.0° | 121.4° |
| C26 | C28 | C29 | C30 | 159.2° | 142.9° |
| C26 | C28 | C32 | H21 | 125.1° | 121.4° |
| C26 | C28 | C32 | C31 | 140.9° | 119.3° |
| C28 | C26 | C27 | H20 | 0.4° | 0.0° |
| C26 | C28 | C29 | H22 | 40.0° | 24.2° |
| C26 | C28 | C29 | H23 | 81.6° | 98.4° |
| C26 | C28 | C32 | H28 | 99.4° | 121.4° |
| C26 | C28 | C32 | H29 | 21.2° | 0.0° |
| C28 | C29 | C30 | H22 | 119.2° | 118.7° |
| C28 | C29 | C30 | H23 | 119.2° | 118.7° |
| C29 | C28 | C32 | H21 | 119.3° | 119.3° |
| C28 | C29 | C30 | C31 | 29.2° | 37.9° |
| C29 | C28 | C32 | C31 | 25.2° | 0.0° |
| C28 | C29 | H22 | H23 | 122.3° | 122.6° |
| C28 | C29 | C30 | H24 | 148.4° | 156.2° |
| C28 | C29 | C30 | H25 | 90.0° | 80.4° |
| C29 | C28 | C32 | H28 | 144.9° | 119.3° |
| C29 | C28 | C32 | H29 | 94.5° | 119.3° |
| C30 | C29 | C28 | C32 | 31.9° | 23.6° |
| C29 | C30 | C31 | H24 | 119.2° | 118.2° |
| C29 | C30 | C31 | H25 | 119.2° | 118.3° |
| C29 | C30 | C31 | C32 | 12.9° | 38.0° |
| C30 | C29 | C28 | H21 | 84.8° | 95.7° |
| C30 | C29 | H22 | H23 | 122.3° | 122.6° |
| C29 | C30 | H24 | H25 | 122.4° | 123.3° |
| C29 | C30 | C31 | H26 | 106.7° | 80.8° |
| C29 | C30 | C31 | H27 | 132.5° | 156.8° |
| C28 | C32 | C31 | C30 | 5.2° | 23.6° |
| C28 | C32 | C31 | H28 | 119.7° | 119.3° |
| C28 | C32 | C31 | H29 | 119.7° | 119.2° |
| C32 | C28 | C29 | H22 | 87.4° | 95.1° |
| C32 | C28 | C29 | H23 | 151.1° | 142.3° |
| C28 | C32 | C31 | H26 | 124.8° | 95.1° |
| C28 | C32 | C31 | H27 | 114.4° | 142.3° |
| C28 | C32 | H28 | H29 | 120.9° | 121.4° |
| C30 | C31 | C32 | H26 | 119.6° | 118.7° |
| C30 | C31 | C32 | H27 | 119.6° | 118.7° |
| C31 | C30 | C29 | H22 | 90.0° | 80.7° |
| C31 | C30 | C29 | H23 | 148.4° | 156.6° |
| C31 | C30 | H24 | H25 | 122.4° | 123.4° |
| C30 | C31 | H26 | H27 | 121.1° | 122.4° |
| C30 | C31 | C32 | H28 | 125.0° | 95.6° |
| C30 | C31 | C32 | H29 | 114.5° | 142.9° |
| C31 | C32 | C28 | H21 | 94.1° | 119.3° |
| C32 | C31 | C30 | H24 | 132.1° | 156.2° |
| C32 | C31 | C30 | H25 | 106.3° | 80.3° |
| C32 | C31 | H26 | H27 | 121.1° | 122.7° |
| C31 | C32 | H28 | H29 | 120.8° | 121.4° |
| H1 | C13 | C14 | H13 | 59.7° | 179.9° |
| H1 | C13 | C14 | H14 | 60.3° | 59.9° |
| H1 | C13 | C14 | H15 | 179.7° | 60.0° |
| H2 | C13 | C14 | H13 | 59.7° | 60.0° |
| H2 | C13 | C14 | H14 | 179.7° | 179.9° |
| H2 | C13 | C14 | H15 | 60.3° | 60.0° |
| H4 | C02 | C03 | H6 | 40.8° | 175.0° |
| H4 | C02 | O01 | H30 | 60.0° | 59.9° |
| H5 | C02 | C03 | H6 | 160.7° | 65.1° |
| H5 | C02 | O01 | H30 | 60.0° | 60.0° |
| H6 | C03 | C04 | H7 | 174.8° | 65.0° |
| H6 | C03 | C04 | H8 | 53.4° | 175.0° |
| H6 | C03 | O33 | H31 | 59.8° | 179.9° |
| H9 | C08 | H10 | H11 | 120.0° | 120.0° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H21 | C28 | C29 | H22 | 156.0° | 145.6° |
| H21 | C28 | C29 | H23 | 34.4° | 22.9° |
| H21 | C28 | C32 | H28 | 25.6° | 0.0° |
| H21 | C28 | C32 | H29 | 146.2° | 121.4° |
| H22 | C29 | C30 | H24 | 29.2° | 37.6° |
| H22 | C29 | C30 | H25 | 150.8° | 161.0° |
| H23 | C29 | C30 | H24 | 92.4° | 85.1° |
| H23 | C29 | C30 | H25 | 29.2° | 38.3° |
| H24 | C30 | C31 | H26 | 12.5° | 37.5° |
| H24 | C30 | C31 | H27 | 108.3° | 85.0° |
| H25 | C30 | C31 | H26 | 134.1° | 160.9° |
| H25 | C30 | C31 | H27 | 13.3° | 38.5° |
| H26 | C31 | C32 | H28 | 115.4° | 145.7° |
| H26 | C31 | C32 | H29 | 5.1° | 24.2° |
| H27 | C31 | C32 | H28 | 5.3° | 23.1° |
| H27 | C31 | C32 | H29 | 125.9° | 98.4° |
