JAU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | P09 | sing | 1.82Å | 1.84Å | |
| O12 | P09 | doub | 1.48Å | 1.42Å | |
| CL1 | C02 | sing | 1.74Å | 1.72Å | |
| P09 | C10 | sing | 1.82Å | 1.84Å | |
| P09 | C08 | sing | 1.81Å | 1.83Å | |
| C08 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| N06 | C07 | sing | 1.40Å | 1.50Å | |
| N06 | C05 | sing | 1.39Å | 1.46Å | |
| C02 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C02 | C05 | sing | 1.40Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C16 | doub | 1.39Å | 1.34Å | Aromatic |
| C03 | N04 | sing | 1.33Å | 1.29Å | Aromatic |
| C05 | N17 | doub | 1.33Å | 1.31Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N04 | C18 | doub | 1.32Å | 1.26Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.30Å | Aromatic |
| C18 | N19 | sing | 1.39Å | 1.43Å | |
| N19 | C20 | sing | 1.40Å | 1.40Å | |
| C39 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C22 | sing | 1.39Å | 1.33Å | Aromatic |
| C24 | N25 | sing | 1.40Å | 1.46Å | |
| C22 | CL2 | sing | 1.74Å | 1.74Å | |
| N25 | C26 | sing | 1.47Å | 1.50Å | |
| N25 | C37 | sing | 1.47Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.44Å | |
| C36 | C28 | sing | 1.53Å | 1.43Å | |
| C28 | N29 | sing | 1.47Å | 1.28Å | |
| C35 | N29 | sing | 1.47Å | 1.35Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| N29 | C30 | sing | 1.47Å | 1.39Å | |
| C34 | N32 | sing | 1.47Å | 1.37Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| N32 | C33 | sing | 1.47Å | 1.26Å | |
| N32 | C31 | sing | 1.47Å | 1.36Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| N06 | H35 | sing | 0.97Å | 1.00Å | |
| N19 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | P09 | O12 | 106.4° | 109.5° |
| C11 | P09 | C10 | 109.1° | 109.5° |
| C11 | P09 | C08 | 110.5° | 109.5° |
| P09 | C11 | H2 | 109.5° | 109.4° |
| P09 | C11 | H3 | 109.4° | 109.4° |
| P09 | C11 | H4 | 109.5° | 109.5° |
| O12 | P09 | C10 | 112.6° | 109.5° |
| O12 | P09 | C08 | 113.0° | 109.4° |
| CL1 | C02 | C03 | 120.3° | 120.8° |
| CL1 | C02 | C05 | 119.0° | 120.8° |
| C10 | P09 | C08 | 105.3° | 109.5° |
| P09 | C10 | H5 | 109.5° | 109.4° |
| P09 | C10 | H6 | 109.5° | 109.5° |
| P09 | C10 | H7 | 109.5° | 109.4° |
| P09 | C08 | C13 | 113.1° | 120.0° |
| P09 | C08 | C07 | 125.5° | 120.1° |
| C13 | C08 | C07 | 121.3° | 119.9° |
| C08 | C13 | C14 | 119.1° | 120.0° |
| C08 | C13 | H8 | 120.5° | 120.0° |
| C08 | C07 | N06 | 122.5° | 120.0° |
| C08 | C07 | C16 | 119.3° | 119.9° |
| C07 | N06 | C05 | 125.8° | 120.0° |
| N06 | C07 | C16 | 118.1° | 120.1° |
| C07 | N06 | H35 | 117.1° | 120.0° |
| N06 | C05 | C02 | 114.6° | 120.5° |
| N06 | C05 | N17 | 127.3° | 120.5° |
| C05 | N06 | H35 | 117.1° | 120.0° |
| C03 | C02 | C05 | 120.7° | 118.5° |
| C02 | C03 | N04 | 117.7° | 119.3° |
| C02 | C03 | H9 | 121.2° | 120.4° |
| C02 | C05 | N17 | 118.1° | 119.0° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C13 | C14 | H1 | 120.2° | 119.9° |
| C14 | C13 | H8 | 120.5° | 120.0° |
| C07 | C16 | C15 | 119.2° | 119.9° |
| C07 | C16 | H11 | 120.4° | 120.0° |
| C03 | N04 | C18 | 121.3° | 120.9° |
| N04 | C03 | H9 | 121.2° | 120.3° |
| C05 | N17 | C18 | 119.6° | 120.6° |
| C14 | C15 | C16 | 121.3° | 120.1° |
| C15 | C14 | H1 | 120.1° | 120.0° |
| C14 | C15 | H10 | 119.3° | 120.0° |
| C16 | C15 | H10 | 119.3° | 119.9° |
| C15 | C16 | H11 | 120.4° | 120.0° |
| N04 | C18 | N17 | 122.7° | 121.7° |
| N04 | C18 | N19 | 114.9° | 119.1° |
| N17 | C18 | N19 | 122.4° | 119.1° |
| C18 | N19 | C20 | 118.0° | 120.0° |
| C18 | N19 | H36 | 121.0° | 120.0° |
| N19 | C20 | C39 | 116.8° | 120.0° |
| N19 | C20 | C21 | 120.7° | 120.0° |
| C20 | N19 | H36 | 121.0° | 120.0° |
| C20 | C39 | C38 | 120.9° | 120.1° |
| C39 | C20 | C21 | 122.5° | 120.0° |
| C20 | C39 | H34 | 119.5° | 120.0° |
| C39 | C38 | C24 | 116.3° | 120.0° |
| C39 | C38 | H33 | 121.8° | 120.0° |
| C38 | C39 | H34 | 119.6° | 120.0° |
| C20 | C21 | C22 | 114.7° | 120.0° |
| C20 | C21 | H12 | 122.6° | 120.0° |
| C38 | C24 | C22 | 121.9° | 119.9° |
| C38 | C24 | N25 | 126.1° | 120.0° |
| C24 | C38 | H33 | 121.8° | 120.0° |
| C21 | C22 | C24 | 123.6° | 120.0° |
| C21 | C22 | CL2 | 127.9° | 120.0° |
| C22 | C21 | H12 | 122.7° | 120.0° |
| C22 | C24 | N25 | 112.0° | 120.1° |
| C24 | C22 | CL2 | 108.5° | 120.0° |
| C24 | N25 | C26 | 120.1° | 111.0° |
| C24 | N25 | C37 | 117.9° | 111.0° |
| C26 | N25 | C37 | 112.5° | 111.2° |
| N25 | C26 | C27 | 115.4° | 109.5° |
| N25 | C26 | H13 | 108.0° | 109.5° |
| N25 | C26 | H14 | 108.0° | 109.4° |
| N25 | C37 | C36 | 116.1° | 109.6° |
| N25 | C37 | H31 | 107.8° | 109.4° |
| N25 | C37 | H32 | 107.8° | 109.4° |
| C26 | C27 | C28 | 106.8° | 109.3° |
| C27 | C26 | H13 | 108.0° | 109.4° |
| C27 | C26 | H14 | 108.0° | 109.5° |
| C26 | C27 | H15 | 110.2° | 109.6° |
| C26 | C27 | H16 | 110.1° | 109.5° |
| C37 | C36 | C28 | 106.2° | 109.3° |
| C37 | C36 | H29 | 110.3° | 109.5° |
| C37 | C36 | H30 | 110.3° | 109.5° |
| C36 | C37 | H31 | 107.8° | 109.5° |
| C36 | C37 | H32 | 107.8° | 109.5° |
| C27 | C28 | C36 | 108.2° | 109.2° |
| C27 | C28 | N29 | 86.1° | 109.5° |
| C28 | C27 | H15 | 110.2° | 109.5° |
| C28 | C27 | H16 | 110.1° | 109.5° |
| C27 | C28 | H17 | 107.9° | 109.5° |
| C36 | C28 | N29 | 132.2° | 109.5° |
| C36 | C28 | H17 | 108.1° | 109.6° |
| C28 | C36 | H29 | 110.3° | 109.5° |
| C28 | C36 | H30 | 110.3° | 109.5° |
| C28 | N29 | C35 | 105.3° | 111.0° |
| C28 | N29 | C30 | 108.9° | 111.0° |
| N29 | C28 | H17 | 110.3° | 109.5° |
| N29 | C35 | C34 | 110.6° | 109.4° |
| C35 | N29 | C30 | 110.3° | 110.9° |
| N29 | C35 | H27 | 109.2° | 109.5° |
| N29 | C35 | H28 | 109.2° | 109.5° |
| C35 | C34 | N32 | 110.7° | 109.4° |
| C35 | C34 | H25 | 109.1° | 109.5° |
| C35 | C34 | H26 | 109.2° | 109.5° |
| C34 | C35 | H27 | 109.2° | 109.5° |
| C34 | C35 | H28 | 109.2° | 109.5° |
| N29 | C30 | C31 | 113.2° | 109.4° |
| N29 | C30 | H18 | 108.5° | 109.5° |
| N29 | C30 | H19 | 108.5° | 109.5° |
| C34 | N32 | C33 | 106.6° | 111.0° |
| C34 | N32 | C31 | 110.7° | 110.9° |
| N32 | C34 | H25 | 109.2° | 109.5° |
| N32 | C34 | H26 | 109.2° | 109.5° |
| C30 | C31 | N32 | 112.4° | 109.4° |
| C31 | C30 | H18 | 108.5° | 109.5° |
| C31 | C30 | H19 | 108.6° | 109.5° |
| C30 | C31 | H20 | 108.7° | 109.5° |
| C30 | C31 | H21 | 108.8° | 109.5° |
| C33 | N32 | C31 | 108.3° | 111.0° |
| N32 | C33 | H22 | 109.5° | 109.5° |
| N32 | C33 | H23 | 109.5° | 109.4° |
| N32 | C33 | H24 | 109.5° | 109.5° |
| N32 | C31 | H20 | 108.8° | 109.5° |
| N32 | C31 | H21 | 108.7° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.6° |
| H18 | C30 | H19 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.4° | 109.4° |
| H22 | C33 | H24 | 109.4° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.4° |
| H27 | C35 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H31 | C37 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | P09 | O12 | C10 | 119.4° | 120.0° |
| C11 | P09 | O12 | C08 | 121.4° | 120.0° |
| C11 | P09 | C10 | C08 | 118.6° | 120.1° |
| C11 | P09 | C08 | C13 | 29.8° | 10.0° |
| C11 | P09 | C08 | C07 | 152.1° | 170.0° |
| P09 | C11 | H2 | H3 | 120.0° | 120.0° |
| P09 | C11 | H2 | H4 | 120.0° | 120.0° |
| P09 | C11 | H3 | H4 | 120.0° | 120.0° |
| C11 | P09 | C10 | H5 | 180.0° | 60.0° |
| C11 | P09 | C10 | H6 | 60.0° | 180.0° |
| C11 | P09 | C10 | H7 | 60.0° | 60.0° |
| O12 | P09 | C10 | C08 | 123.6° | 119.9° |
| O12 | P09 | C08 | C13 | 148.9° | 130.0° |
| O12 | P09 | C08 | C07 | 33.1° | 50.0° |
| O12 | P09 | C11 | H2 | 180.0° | 60.0° |
| O12 | P09 | C11 | H3 | 60.0° | 179.9° |
| O12 | P09 | C11 | H4 | 60.0° | 60.0° |
| O12 | P09 | C10 | H5 | 62.2° | 180.0° |
| O12 | P09 | C10 | H6 | 57.8° | 60.0° |
| O12 | P09 | C10 | H7 | 177.8° | 60.0° |
| CL1 | C02 | C05 | N06 | 1.2° | 0.3° |
| CL1 | C02 | C03 | C05 | 179.6° | 179.8° |
| CL1 | C02 | C03 | N04 | 179.1° | 179.7° |
| CL1 | C02 | C05 | N17 | 179.5° | 179.7° |
| CL1 | C02 | C03 | H9 | 0.9° | 0.2° |
| C10 | P09 | C08 | C13 | 87.8° | 110.0° |
| C10 | P09 | C08 | C07 | 90.3° | 70.0° |
| C10 | P09 | C11 | H2 | 58.3° | 180.0° |
| C10 | P09 | C11 | H3 | 61.7° | 60.0° |
| C10 | P09 | C11 | H4 | 178.3° | 60.0° |
| P09 | C10 | H5 | H6 | 120.0° | 120.0° |
| P09 | C10 | H5 | H7 | 120.0° | 120.0° |
| P09 | C10 | H6 | H7 | 120.0° | 120.0° |
| P09 | C08 | C13 | C07 | 178.2° | 180.0° |
| P09 | C08 | C07 | N06 | 2.9° | 0.3° |
| P09 | C08 | C13 | C14 | 179.3° | 180.0° |
| P09 | C08 | C07 | C16 | 179.8° | 179.8° |
| C08 | P09 | C11 | H2 | 57.0° | 60.0° |
| C08 | P09 | C11 | H3 | 177.0° | 60.0° |
| C08 | P09 | C11 | H4 | 63.0° | 179.9° |
| C08 | P09 | C10 | H5 | 61.4° | 60.0° |
| C08 | P09 | C10 | H6 | 178.6° | 60.0° |
| C08 | P09 | C10 | H7 | 58.6° | 179.9° |
| P09 | C08 | C13 | H8 | 0.7° | 0.0° |
| C13 | C08 | C07 | N06 | 179.2° | 179.8° |
| C08 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C08 | C07 | C16 | 1.9° | 0.3° |
| C08 | C13 | C14 | C15 | 0.1° | 0.0° |
| C08 | C13 | C14 | H1 | 179.9° | 179.8° |
| C08 | C07 | N06 | C16 | 177.3° | 179.5° |
| C08 | C07 | N06 | C05 | 146.4° | 152.4° |
| C07 | C08 | C13 | C14 | 1.2° | 0.0° |
| C08 | C07 | C16 | C15 | 1.3° | 0.5° |
| C07 | C08 | C13 | H8 | 178.8° | 180.0° |
| C08 | C07 | C16 | H11 | 178.7° | 180.0° |
| C08 | C07 | N06 | H35 | 33.6° | 27.6° |
| C07 | N06 | C05 | H35 | 180.0° | 180.0° |
| C07 | N06 | C05 | C02 | 179.5° | 174.8° |
| C07 | N06 | C05 | N17 | 1.3° | 5.2° |
| N06 | C07 | C16 | C15 | 178.7° | 180.0° |
| N06 | C07 | C16 | H11 | 1.3° | 0.5° |
| N06 | C05 | C02 | C03 | 179.2° | 179.9° |
| N06 | C05 | C02 | N17 | 179.3° | 180.0° |
| C05 | N06 | C07 | C16 | 36.3° | 27.1° |
| N06 | C05 | N17 | C18 | 179.0° | 180.0° |
| C02 | C03 | N04 | H9 | 180.0° | 180.0° |
| C03 | C02 | C05 | N17 | 0.2° | 0.1° |
| C02 | C03 | N04 | C18 | 1.0° | 0.0° |
| C05 | C02 | C03 | N04 | 0.5° | 0.0° |
| C02 | C05 | N17 | C18 | 0.2° | 0.0° |
| C05 | C02 | C03 | H9 | 179.5° | 180.0° |
| C02 | C05 | N06 | H35 | 0.5° | 5.2° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | H10 | 179.4° | 179.7° |
| C07 | C16 | C15 | C14 | 0.1° | 0.5° |
| C07 | C16 | C15 | H11 | 180.0° | 179.5° |
| C07 | C16 | C15 | H10 | 179.9° | 179.5° |
| C16 | C07 | N06 | H35 | 143.7° | 152.9° |
| C03 | N04 | C18 | N17 | 1.1° | 0.0° |
| C03 | N04 | C18 | N19 | 179.8° | 180.0° |
| C05 | N17 | C18 | N04 | 0.7° | 0.0° |
| C05 | N17 | C18 | N19 | 179.8° | 180.0° |
| N17 | C05 | N06 | H35 | 178.7° | 174.8° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | H8 | 179.9° | 180.0° |
| C14 | C15 | C16 | H11 | 179.9° | 180.0° |
| C16 | C15 | C14 | H1 | 179.4° | 180.0° |
| N04 | C18 | N17 | N19 | 179.1° | 180.0° |
| N04 | C18 | N19 | C20 | 179.0° | 6.5° |
| C18 | N04 | C03 | H9 | 179.0° | 180.0° |
| N04 | C18 | N19 | H36 | 1.0° | 173.5° |
| N17 | C18 | N19 | C20 | 1.8° | 173.5° |
| N17 | C18 | N19 | H36 | 178.2° | 6.5° |
| C18 | N19 | C20 | H36 | 180.0° | 180.0° |
| C18 | N19 | C20 | C39 | 8.3° | 39.7° |
| C18 | N19 | C20 | C21 | 172.9° | 140.6° |
| N19 | C20 | C39 | C21 | 178.8° | 179.7° |
| N19 | C20 | C39 | C38 | 179.5° | 179.8° |
| N19 | C20 | C21 | C22 | 179.3° | 179.7° |
| N19 | C20 | C21 | H12 | 0.7° | 0.2° |
| N19 | C20 | C39 | H34 | 0.5° | 0.3° |
| C20 | C39 | C38 | H34 | 180.0° | 179.9° |
| C20 | C39 | C38 | C24 | 0.3° | 0.1° |
| C39 | C20 | C21 | C22 | 0.5° | 0.0° |
| C39 | C20 | C21 | H12 | 179.4° | 180.0° |
| C20 | C39 | C38 | H33 | 179.7° | 180.0° |
| C39 | C20 | N19 | H36 | 171.7° | 140.2° |
| C38 | C39 | C20 | C21 | 0.7° | 0.0° |
| C39 | C38 | C24 | H33 | 180.0° | 180.0° |
| C39 | C38 | C24 | C22 | 0.2° | 0.1° |
| C39 | C38 | C24 | N25 | 179.9° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C20 | C21 | C22 | C24 | 0.0° | 0.0° |
| C20 | C21 | C22 | CL2 | 180.0° | 180.0° |
| C21 | C20 | C39 | H34 | 179.3° | 180.0° |
| C21 | C20 | N19 | H36 | 7.1° | 39.5° |
| C38 | C24 | C22 | C21 | 0.3° | 0.0° |
| C38 | C24 | C22 | N25 | 179.7° | 179.9° |
| C38 | C24 | C22 | CL2 | 179.7° | 180.0° |
| C38 | C24 | N25 | C26 | 87.3° | 59.9° |
| C38 | C24 | N25 | C37 | 128.9° | 64.3° |
| C24 | C38 | C39 | H34 | 179.7° | 180.0° |
| C21 | C22 | C24 | CL2 | 180.0° | 180.0° |
| C21 | C22 | C24 | N25 | 180.0° | 179.9° |
| C22 | C24 | N25 | C26 | 92.5° | 120.0° |
| C22 | C24 | N25 | C37 | 51.4° | 115.8° |
| C24 | C22 | C21 | H12 | 179.9° | 180.0° |
| C22 | C24 | C38 | H33 | 179.9° | 180.0° |
| N25 | C24 | C22 | CL2 | 0.0° | 0.0° |
| C24 | N25 | C26 | C37 | 145.6° | 124.2° |
| C24 | N25 | C26 | C27 | 114.6° | 174.1° |
| C24 | N25 | C37 | C36 | 116.2° | 174.1° |
| C24 | N25 | C26 | H13 | 6.3° | 54.1° |
| C24 | N25 | C26 | H14 | 124.6° | 65.8° |
| C24 | N25 | C37 | H31 | 122.8° | 65.8° |
| C24 | N25 | C37 | H32 | 4.8° | 54.1° |
| N25 | C24 | C38 | H33 | 0.2° | 0.1° |
| CL2 | C22 | C21 | H12 | 0.1° | 0.0° |
| N25 | C26 | C27 | H13 | 120.9° | 120.0° |
| N25 | C26 | C27 | H14 | 120.9° | 120.0° |
| C26 | N25 | C37 | C36 | 30.3° | 61.7° |
| N25 | C26 | C27 | C28 | 52.0° | 59.2° |
| N25 | C26 | H13 | H14 | 117.3° | 120.0° |
| N25 | C26 | C27 | H15 | 67.6° | 179.1° |
| N25 | C26 | C27 | H16 | 171.6° | 60.7° |
| C26 | N25 | C37 | H31 | 90.7° | 58.3° |
| C26 | N25 | C37 | H32 | 151.2° | 178.2° |
| C37 | N25 | C26 | C27 | 31.1° | 61.7° |
| N25 | C37 | C36 | H31 | 121.0° | 120.0° |
| N25 | C37 | C36 | H32 | 120.9° | 120.0° |
| N25 | C37 | C36 | C28 | 49.7° | 59.1° |
| C37 | N25 | C26 | H13 | 151.9° | 178.3° |
| C37 | N25 | C26 | H14 | 89.8° | 58.3° |
| N25 | C37 | C36 | H29 | 169.2° | 179.1° |
| N25 | C37 | C36 | H30 | 69.8° | 60.8° |
| N25 | C37 | H31 | H32 | 117.0° | 119.9° |
| C26 | C27 | C28 | H15 | 119.6° | 120.0° |
| C26 | C27 | C28 | H16 | 119.6° | 119.9° |
| C26 | C27 | C28 | C36 | 74.4° | 57.6° |
| C26 | C27 | C28 | N29 | 152.3° | 62.2° |
| C27 | C26 | H13 | H14 | 117.3° | 120.0° |
| C26 | C27 | H15 | H16 | 121.2° | 120.2° |
| C26 | C27 | C28 | H17 | 42.3° | 177.6° |
| C37 | C36 | C28 | C27 | 72.7° | 57.6° |
| C37 | C36 | C28 | H29 | 119.5° | 120.0° |
| C37 | C36 | C28 | H30 | 119.5° | 119.9° |
| C37 | C36 | C28 | N29 | 174.2° | 62.3° |
| C37 | C36 | C28 | H17 | 43.9° | 177.6° |
| C37 | C36 | H29 | H30 | 121.5° | 120.2° |
| C36 | C37 | H31 | H32 | 117.0° | 120.0° |
| C27 | C28 | C36 | N29 | 101.5° | 119.9° |
| C27 | C28 | C36 | H17 | 116.5° | 120.0° |
| C27 | C28 | N29 | H17 | 107.6° | 120.1° |
| C27 | C28 | N29 | C35 | 79.4° | 59.4° |
| C27 | C28 | N29 | C30 | 162.4° | 176.8° |
| C28 | C27 | C26 | H13 | 172.9° | 179.2° |
| C28 | C27 | C26 | H14 | 68.9° | 60.8° |
| C28 | C27 | H15 | H16 | 121.2° | 120.0° |
| C27 | C28 | C36 | H29 | 167.9° | 177.6° |
| C27 | C28 | C36 | H30 | 46.8° | 62.3° |
| C36 | C28 | N29 | H17 | 141.3° | 120.2° |
| C36 | C28 | N29 | C35 | 169.6° | 179.1° |
| C36 | C28 | N29 | C30 | 51.4° | 57.1° |
| C36 | C28 | C27 | H15 | 45.2° | 177.6° |
| C36 | C28 | C27 | H16 | 166.1° | 62.3° |
| C28 | C36 | H29 | H30 | 121.5° | 120.0° |
| C28 | C36 | C37 | H31 | 71.3° | 60.9° |
| C28 | C36 | C37 | H32 | 170.6° | 179.2° |
| C28 | N29 | C35 | C30 | 117.3° | 123.8° |
| C28 | N29 | C35 | C34 | 84.9° | 176.8° |
| C28 | N29 | C30 | C31 | 141.1° | 176.8° |
| N29 | C28 | C27 | H15 | 88.1° | 57.8° |
| N29 | C28 | C27 | H16 | 32.7° | 177.8° |
| C28 | N29 | C30 | H18 | 20.6° | 56.9° |
| C28 | N29 | C30 | H19 | 98.3° | 63.2° |
| C28 | N29 | C35 | H27 | 154.9° | 63.2° |
| C28 | N29 | C35 | H28 | 35.3° | 56.9° |
| N29 | C28 | C36 | H29 | 66.4° | 57.7° |
| N29 | C28 | C36 | H30 | 54.7° | 177.8° |
| N29 | C35 | C34 | H27 | 120.2° | 120.0° |
| N29 | C35 | C34 | H28 | 120.2° | 119.9° |
| N29 | C35 | C34 | N32 | 71.2° | 58.4° |
| C35 | N29 | C30 | C31 | 26.1° | 59.3° |
| C35 | N29 | C28 | H17 | 28.2° | 60.7° |
| C35 | N29 | C30 | H18 | 94.5° | 179.3° |
| C35 | N29 | C30 | H19 | 146.7° | 60.7° |
| N29 | C35 | C34 | H25 | 168.6° | 61.6° |
| N29 | C35 | C34 | H26 | 49.1° | 178.4° |
| N29 | C35 | H27 | H28 | 119.4° | 120.1° |
| C34 | C35 | N29 | C30 | 32.4° | 59.3° |
| C35 | C34 | N32 | H25 | 120.2° | 120.0° |
| C35 | C34 | N32 | H26 | 120.2° | 120.0° |
| C35 | C34 | N32 | C33 | 82.7° | 176.8° |
| C35 | C34 | N32 | C31 | 34.9° | 59.3° |
| C35 | C34 | H25 | H26 | 119.4° | 120.1° |
| C34 | C35 | H27 | H28 | 119.5° | 120.1° |
| N29 | C30 | C31 | H18 | 120.6° | 120.0° |
| N29 | C30 | C31 | H19 | 120.5° | 120.0° |
| N29 | C30 | C31 | N32 | 61.5° | 58.4° |
| C30 | N29 | C28 | H17 | 90.0° | 63.1° |
| N29 | C30 | H18 | H19 | 118.3° | 120.1° |
| N29 | C30 | C31 | H20 | 178.0° | 178.4° |
| N29 | C30 | C31 | H21 | 58.9° | 61.6° |
| C30 | N29 | C35 | H27 | 87.8° | 60.6° |
| C30 | N29 | C35 | H28 | 152.6° | 179.3° |
| C34 | N32 | C31 | C30 | 23.4° | 59.3° |
| C34 | N32 | C33 | C31 | 119.1° | 123.8° |
| C34 | N32 | C31 | H20 | 143.8° | 179.3° |
| C34 | N32 | C31 | H21 | 97.1° | 60.6° |
| C34 | N32 | C33 | H22 | 180.0° | 60.1° |
| C34 | N32 | C33 | H23 | 60.0° | 180.0° |
| C34 | N32 | C33 | H24 | 60.0° | 60.0° |
| N32 | C34 | H25 | H26 | 119.5° | 120.0° |
| N32 | C34 | C35 | H27 | 49.0° | 61.6° |
| N32 | C34 | C35 | H28 | 168.7° | 178.3° |
| C30 | C31 | N32 | C33 | 139.9° | 176.8° |
| C30 | C31 | N32 | H20 | 120.4° | 120.0° |
| C30 | C31 | N32 | H21 | 120.5° | 120.0° |
| C31 | C30 | H18 | H19 | 118.3° | 120.0° |
| C30 | C31 | H20 | H21 | 118.7° | 120.0° |
| C33 | N32 | C31 | H20 | 99.7° | 56.9° |
| C33 | N32 | C31 | H21 | 19.5° | 63.2° |
| N32 | C33 | H22 | H23 | 120.0° | 120.0° |
| N32 | C33 | H22 | H24 | 120.0° | 120.0° |
| N32 | C33 | H23 | H24 | 120.0° | 120.0° |
| C33 | N32 | C34 | H25 | 37.5° | 63.2° |
| C33 | N32 | C34 | H26 | 157.1° | 56.8° |
| N32 | C31 | C30 | H18 | 59.0° | 178.4° |
| N32 | C31 | C30 | H19 | 177.9° | 61.6° |
| N32 | C31 | H20 | H21 | 118.7° | 120.1° |
| C31 | N32 | C33 | H22 | 60.9° | 176.2° |
| C31 | N32 | C33 | H23 | 59.1° | 56.2° |
| C31 | N32 | C33 | H24 | 179.2° | 63.8° |
| C31 | N32 | C34 | H25 | 155.1° | 60.6° |
| C31 | N32 | C34 | H26 | 85.3° | 179.4° |
| H1 | C14 | C13 | H8 | 0.1° | 0.3° |
| H1 | C14 | C15 | H10 | 0.6° | 0.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H5 | C10 | H6 | H7 | 119.9° | 120.1° |
| H10 | C15 | C16 | H11 | 0.1° | 0.0° |
| H13 | C26 | C27 | H15 | 53.3° | 60.9° |
| H13 | C26 | C27 | H16 | 67.6° | 59.3° |
| H14 | C26 | C27 | H15 | 171.5° | 59.1° |
| H14 | C26 | C27 | H16 | 50.7° | 179.3° |
| H15 | C27 | C28 | H17 | 161.9° | 62.4° |
| H16 | C27 | C28 | H17 | 77.3° | 57.7° |
| H17 | C28 | C36 | H29 | 75.6° | 62.5° |
| H17 | C28 | C36 | H30 | 163.4° | 57.6° |
| H18 | C30 | C31 | H20 | 61.4° | 61.6° |
| H18 | C30 | C31 | H21 | 179.4° | 58.4° |
| H19 | C30 | C31 | H20 | 57.5° | 58.4° |
| H19 | C30 | C31 | H21 | 61.7° | 178.4° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
| H25 | C34 | C35 | H27 | 71.2° | 178.5° |
| H25 | C34 | C35 | H28 | 48.5° | 58.4° |
| H26 | C34 | C35 | H27 | 169.2° | 58.5° |
| H26 | C34 | C35 | H28 | 71.1° | 61.6° |
| H29 | C36 | C37 | H31 | 48.2° | 59.1° |
| H29 | C36 | C37 | H32 | 69.9° | 60.9° |
| H30 | C36 | C37 | H31 | 169.2° | 179.2° |
| H30 | C36 | C37 | H32 | 51.1° | 59.3° |
| H33 | C38 | C39 | H34 | 0.3° | 0.0° |
