A1A7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL28 | C27 | sing | 1.74Å | 1.78Å | |
| C27 | N29 | doub | 1.32Å | 1.33Å | Aromatic |
| C27 | N26 | sing | 1.32Å | 1.34Å | Aromatic |
| N29 | C17 | sing | 1.33Å | 1.31Å | Aromatic |
| N26 | C19 | doub | 1.33Å | 1.32Å | Aromatic |
| C17 | N16 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.44Å | Aromatic |
| N16 | C15 | sing | 1.37Å | 1.31Å | Aromatic |
| O23 | C22 | sing | 1.43Å | 1.40Å | |
| O23 | C24 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | N20 | sing | 1.38Å | 1.44Å | |
| C18 | C14 | sing | 1.47Å | 1.51Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N20 | C25 | sing | 1.47Å | 1.45Å | |
| N20 | C21 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.48Å | 1.53Å | |
| C38 | C36 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.53Å | Aromatic |
| C13 | C30 | sing | 1.40Å | 1.31Å | Aromatic |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C39 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.39Å | 1.32Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.51Å | Aromatic |
| O33 | C09 | doub | 1.22Å | 1.18Å | |
| C34 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | C07 | doub | 1.36Å | 1.36Å | Aromatic |
| C35 | N40 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.45Å | |
| C11 | C32 | doub | 1.39Å | 1.52Å | Aromatic |
| C09 | N10 | sing | 1.35Å | 1.44Å | |
| C09 | N08 | sing | 1.35Å | 1.44Å | |
| C31 | C32 | sing | 1.38Å | 1.30Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.44Å | |
| C07 | N06 | sing | 1.36Å | 1.40Å | Aromatic |
| N40 | N06 | sing | 1.40Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.40Å | 1.44Å | |
| C05 | C41 | doub | 1.39Å | 1.31Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.52Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.52Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.31Å | Aromatic |
| C42 | C02 | doub | 1.38Å | 1.31Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.52Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.08Å | 1.08Å | |
| N08 | H31 | sing | 0.97Å | 1.00Å | |
| N10 | H32 | sing | 0.97Å | 1.00Å | |
| N16 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL28 | C27 | N29 | 118.7° | 118.7° |
| CL28 | C27 | N26 | 117.8° | 118.7° |
| N29 | C27 | N26 | 123.6° | 122.6° |
| C27 | N29 | C17 | 118.8° | 120.7° |
| C27 | N26 | C19 | 120.6° | 121.0° |
| N29 | C17 | N16 | 134.5° | 134.1° |
| N29 | C17 | C18 | 119.6° | 118.5° |
| N26 | C19 | C18 | 118.7° | 118.4° |
| N26 | C19 | N20 | 119.7° | 120.8° |
| N16 | C17 | C18 | 105.9° | 107.4° |
| C17 | N16 | C15 | 117.9° | 110.3° |
| C17 | N16 | H33 | 121.1° | 124.8° |
| C17 | C18 | C19 | 118.8° | 118.8° |
| C17 | C18 | C14 | 101.5° | 106.2° |
| N16 | C15 | C14 | 104.5° | 109.6° |
| N16 | C15 | H1 | 127.8° | 125.2° |
| C15 | N16 | H33 | 121.0° | 124.9° |
| C22 | O23 | C24 | 114.5° | 113.7° |
| O23 | C22 | C21 | 112.6° | 109.2° |
| O23 | C22 | H4 | 108.7° | 109.5° |
| O23 | C22 | H5 | 108.7° | 109.5° |
| O23 | C24 | C25 | 108.5° | 109.3° |
| O23 | C24 | H6 | 109.7° | 109.5° |
| O23 | C24 | H7 | 109.7° | 109.5° |
| C18 | C19 | N20 | 121.6° | 120.8° |
| C19 | C18 | C14 | 139.7° | 135.1° |
| C19 | N20 | C25 | 115.7° | 111.0° |
| C19 | N20 | C21 | 118.1° | 111.0° |
| C18 | C14 | C15 | 110.2° | 106.6° |
| C18 | C14 | C13 | 125.6° | 126.7° |
| C22 | C21 | N20 | 110.1° | 109.3° |
| C22 | C21 | H2 | 109.3° | 109.5° |
| C22 | C21 | H3 | 109.3° | 109.5° |
| C21 | C22 | H4 | 108.7° | 109.5° |
| C21 | C22 | H5 | 108.7° | 109.5° |
| C24 | C25 | N20 | 112.9° | 109.2° |
| C25 | C24 | H6 | 109.7° | 109.5° |
| C25 | C24 | H7 | 109.7° | 109.5° |
| C24 | C25 | H14 | 108.6° | 109.5° |
| C24 | C25 | H15 | 108.6° | 109.5° |
| C15 | C14 | C13 | 124.1° | 126.7° |
| C14 | C15 | H1 | 127.7° | 125.2° |
| C25 | N20 | C21 | 117.2° | 110.8° |
| N20 | C25 | H14 | 108.6° | 109.5° |
| N20 | C25 | H15 | 108.6° | 109.6° |
| N20 | C21 | H2 | 109.3° | 109.5° |
| N20 | C21 | H3 | 109.3° | 109.5° |
| C14 | C13 | C12 | 124.8° | 120.1° |
| C14 | C13 | C30 | 116.1° | 120.1° |
| C38 | C36 | C37 | 110.5° | 109.5° |
| C38 | C36 | C39 | 109.6° | 109.5° |
| C38 | C36 | C35 | 109.0° | 109.5° |
| C36 | C38 | H23 | 109.5° | 109.5° |
| C36 | C38 | H24 | 109.5° | 109.5° |
| C36 | C38 | H25 | 109.4° | 109.4° |
| C12 | C13 | C30 | 119.0° | 119.8° |
| C13 | C12 | C11 | 119.0° | 119.8° |
| C13 | C12 | H13 | 120.5° | 120.1° |
| C13 | C30 | C31 | 121.9° | 120.0° |
| C13 | C30 | H16 | 119.0° | 120.0° |
| C37 | C36 | C39 | 110.3° | 109.5° |
| C37 | C36 | C35 | 108.1° | 109.5° |
| C36 | C37 | H20 | 109.5° | 109.5° |
| C36 | C37 | H21 | 109.5° | 109.5° |
| C36 | C37 | H22 | 109.5° | 109.5° |
| C39 | C36 | C35 | 109.3° | 109.4° |
| C36 | C39 | H26 | 109.5° | 109.5° |
| C36 | C39 | H27 | 109.5° | 109.4° |
| C36 | C39 | H28 | 109.5° | 109.5° |
| C36 | C35 | C34 | 125.7° | 125.7° |
| C36 | C35 | N40 | 125.7° | 125.8° |
| C12 | C11 | N10 | 123.7° | 120.0° |
| C12 | C11 | C32 | 120.9° | 120.0° |
| C11 | C12 | H13 | 120.5° | 120.1° |
| C30 | C31 | C32 | 118.8° | 120.3° |
| C31 | C30 | H16 | 119.1° | 120.0° |
| C30 | C31 | H17 | 120.6° | 119.9° |
| O33 | C09 | N10 | 122.1° | 120.0° |
| O33 | C09 | N08 | 121.8° | 120.0° |
| C35 | C34 | C07 | 107.7° | 107.8° |
| C34 | C35 | N40 | 108.5° | 108.5° |
| C35 | C34 | H19 | 126.1° | 126.1° |
| C34 | C07 | N08 | 126.0° | 126.3° |
| C34 | C07 | N06 | 107.9° | 107.5° |
| C07 | C34 | H19 | 126.2° | 126.1° |
| C35 | N40 | N06 | 107.8° | 108.4° |
| N10 | C11 | C32 | 115.4° | 120.0° |
| C11 | N10 | C09 | 127.6° | 120.0° |
| C11 | N10 | H32 | 116.2° | 120.0° |
| C11 | C32 | C31 | 120.4° | 120.1° |
| C11 | C32 | H18 | 119.8° | 119.9° |
| N10 | C09 | N08 | 116.0° | 120.0° |
| C09 | N10 | H32 | 116.2° | 120.0° |
| C09 | N08 | C07 | 123.8° | 120.0° |
| C09 | N08 | H31 | 118.1° | 120.1° |
| C32 | C31 | H17 | 120.6° | 119.9° |
| C31 | C32 | H18 | 119.8° | 119.9° |
| N08 | C07 | N06 | 126.1° | 126.2° |
| C07 | N08 | H31 | 118.1° | 120.0° |
| C07 | N06 | N40 | 108.0° | 107.7° |
| C07 | N06 | C05 | 127.2° | 126.1° |
| N40 | N06 | C05 | 124.8° | 126.1° |
| N06 | C05 | C41 | 120.2° | 120.1° |
| N06 | C05 | C04 | 119.2° | 120.0° |
| C41 | C05 | C04 | 120.5° | 119.9° |
| C05 | C41 | C42 | 119.7° | 119.9° |
| C05 | C41 | H29 | 120.1° | 120.0° |
| C05 | C04 | C03 | 119.9° | 119.9° |
| C05 | C04 | H12 | 120.1° | 120.0° |
| C41 | C42 | C02 | 119.7° | 120.1° |
| C42 | C41 | H29 | 120.2° | 120.0° |
| C41 | C42 | H30 | 120.1° | 120.0° |
| C04 | C03 | C02 | 119.7° | 120.1° |
| C04 | C03 | H11 | 120.1° | 120.0° |
| C03 | C04 | H12 | 120.0° | 120.1° |
| C42 | C02 | C03 | 120.5° | 120.1° |
| C42 | C02 | C01 | 119.5° | 119.9° |
| C02 | C42 | H30 | 120.2° | 120.0° |
| C03 | C02 | C01 | 120.0° | 120.0° |
| C02 | C03 | H11 | 120.2° | 120.0° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H14 | C25 | H15 | 109.4° | 109.5° |
| H20 | C37 | H21 | 109.5° | 109.5° |
| H20 | C37 | H22 | 109.5° | 109.4° |
| H21 | C37 | H22 | 109.4° | 109.4° |
| H23 | C38 | H24 | 109.5° | 109.6° |
| H23 | C38 | H25 | 109.5° | 109.4° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H28 | 109.5° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL28 | C27 | N29 | N26 | 179.9° | 179.4° |
| CL28 | C27 | N29 | C17 | 179.9° | 180.0° |
| CL28 | C27 | N26 | C19 | 179.9° | 179.7° |
| N29 | C27 | N26 | C19 | 0.2° | 0.3° |
| C27 | N29 | C17 | N16 | 179.7° | 179.8° |
| C27 | N29 | C17 | C18 | 0.1° | 0.6° |
| N26 | C27 | N29 | C17 | 0.0° | 0.6° |
| C27 | N26 | C19 | C18 | 0.4° | 0.0° |
| C27 | N26 | C19 | N20 | 179.1° | 180.0° |
| N29 | C17 | N16 | C18 | 179.7° | 179.6° |
| N29 | C17 | N16 | C15 | 179.7° | 180.0° |
| N29 | C17 | C18 | C19 | 0.3° | 0.3° |
| N29 | C17 | C18 | C14 | 179.1° | 180.0° |
| N29 | C17 | N16 | H33 | 0.3° | 0.4° |
| N26 | C19 | C18 | C17 | 0.5° | 0.0° |
| N26 | C19 | C18 | N20 | 178.6° | 180.0° |
| N26 | C19 | C18 | C14 | 178.6° | 179.6° |
| N26 | C19 | N20 | C25 | 107.0° | 57.3° |
| N26 | C19 | N20 | C21 | 39.2° | 66.3° |
| C17 | N16 | C15 | H33 | 180.0° | 179.6° |
| N16 | C17 | C18 | C19 | 180.0° | 180.0° |
| N16 | C17 | C18 | C14 | 0.6° | 0.3° |
| C17 | N16 | C15 | C14 | 0.8° | 0.4° |
| C17 | N16 | C15 | H1 | 179.2° | 179.8° |
| C18 | C17 | N16 | C15 | 0.0° | 0.4° |
| C17 | C18 | C19 | C14 | 179.1° | 179.6° |
| C17 | C18 | C19 | N20 | 179.1° | 180.0° |
| C17 | C18 | C14 | C15 | 1.1° | 0.0° |
| C17 | C18 | C14 | C13 | 177.4° | 180.0° |
| C18 | C17 | N16 | H33 | 180.0° | 180.0° |
| N16 | C15 | C14 | C18 | 1.1° | 0.2° |
| N16 | C15 | C14 | H1 | 180.0° | 179.8° |
| N16 | C15 | C14 | C13 | 177.5° | 179.8° |
| O23 | C22 | C21 | H4 | 120.5° | 119.9° |
| O23 | C22 | C21 | H5 | 120.5° | 119.9° |
| C22 | O23 | C24 | C25 | 64.6° | 58.7° |
| O23 | C22 | C21 | N20 | 4.9° | 56.9° |
| O23 | C22 | C21 | H2 | 125.0° | 63.1° |
| O23 | C22 | C21 | H3 | 115.2° | 176.9° |
| O23 | C22 | H4 | H5 | 118.6° | 120.1° |
| C22 | O23 | C24 | H6 | 55.3° | 178.7° |
| C22 | O23 | C24 | H7 | 175.6° | 61.3° |
| C24 | O23 | C22 | C21 | 52.2° | 58.7° |
| O23 | C24 | C25 | H6 | 119.9° | 120.0° |
| O23 | C24 | C25 | H7 | 119.8° | 120.0° |
| O23 | C24 | C25 | N20 | 19.0° | 56.8° |
| C24 | O23 | C22 | H4 | 172.7° | 61.2° |
| C24 | O23 | C22 | H5 | 68.2° | 178.6° |
| O23 | C24 | H6 | H7 | 120.4° | 120.1° |
| O23 | C24 | C25 | H14 | 139.6° | 176.8° |
| O23 | C24 | C25 | H15 | 101.5° | 63.1° |
| C19 | C18 | C14 | C15 | 179.7° | 179.7° |
| C18 | C19 | N20 | C25 | 71.6° | 122.7° |
| C18 | C19 | N20 | C21 | 142.2° | 113.7° |
| C19 | C18 | C14 | C13 | 3.4° | 0.3° |
| N20 | C19 | C18 | C14 | 0.0° | 0.4° |
| C19 | N20 | C21 | C22 | 97.7° | 177.6° |
| C19 | N20 | C25 | C24 | 110.6° | 177.7° |
| C19 | N20 | C25 | C21 | 146.5° | 123.7° |
| C19 | N20 | C21 | H2 | 22.4° | 62.5° |
| C19 | N20 | C21 | H3 | 142.2° | 57.7° |
| C19 | N20 | C25 | H14 | 128.8° | 57.7° |
| C19 | N20 | C25 | H15 | 9.9° | 62.4° |
| C18 | C14 | C15 | C13 | 176.4° | 180.0° |
| C18 | C14 | C13 | C12 | 140.7° | 124.2° |
| C18 | C14 | C13 | C30 | 43.0° | 55.6° |
| C18 | C14 | C15 | H1 | 178.8° | 180.0° |
| C22 | C21 | N20 | C25 | 48.0° | 58.7° |
| C22 | C21 | N20 | H2 | 120.1° | 119.9° |
| C22 | C21 | N20 | H3 | 120.1° | 119.9° |
| C22 | C21 | H2 | H3 | 119.7° | 120.0° |
| C21 | C22 | H4 | H5 | 118.6° | 120.1° |
| C24 | C25 | N20 | H14 | 120.5° | 119.9° |
| C24 | C25 | N20 | H15 | 120.5° | 119.9° |
| C24 | C25 | N20 | C21 | 35.8° | 58.6° |
| C25 | C24 | H6 | H7 | 120.4° | 120.1° |
| C24 | C25 | H14 | H15 | 118.4° | 120.1° |
| C15 | C14 | C13 | C12 | 43.5° | 55.8° |
| C15 | C14 | C13 | C30 | 132.8° | 124.4° |
| C14 | C15 | N16 | H33 | 179.3° | 180.0° |
| C25 | N20 | C21 | H2 | 168.1° | 61.2° |
| C25 | N20 | C21 | H3 | 72.1° | 178.6° |
| N20 | C25 | C24 | H6 | 100.9° | 176.8° |
| N20 | C25 | C24 | H7 | 138.9° | 63.2° |
| N20 | C25 | H14 | H15 | 118.4° | 120.2° |
| N20 | C21 | H2 | H3 | 119.7° | 120.2° |
| N20 | C21 | C22 | H4 | 115.5° | 63.0° |
| N20 | C21 | C22 | H5 | 125.4° | 176.9° |
| C21 | N20 | C25 | H14 | 84.7° | 178.5° |
| C21 | N20 | C25 | H15 | 156.4° | 61.3° |
| C14 | C13 | C12 | C30 | 176.2° | 179.7° |
| C14 | C13 | C12 | C11 | 179.2° | 179.7° |
| C14 | C13 | C30 | C31 | 179.4° | 179.7° |
| C13 | C14 | C15 | H1 | 2.5° | 0.0° |
| C14 | C13 | C12 | H13 | 0.8° | 0.2° |
| C14 | C13 | C30 | H16 | 0.6° | 0.3° |
| C38 | C36 | C37 | C39 | 121.4° | 120.0° |
| C38 | C36 | C37 | C35 | 119.2° | 120.0° |
| C38 | C36 | C39 | C35 | 119.4° | 120.0° |
| C38 | C36 | C35 | C34 | 64.4° | 45.0° |
| C38 | C36 | C35 | N40 | 116.4° | 134.9° |
| C38 | C36 | C37 | H20 | 180.0° | 180.0° |
| C38 | C36 | C37 | H21 | 60.0° | 60.0° |
| C38 | C36 | C37 | H22 | 60.0° | 60.0° |
| C36 | C38 | H23 | H24 | 120.0° | 120.1° |
| C36 | C38 | H23 | H25 | 120.0° | 119.9° |
| C36 | C38 | H24 | H25 | 120.0° | 120.0° |
| C38 | C36 | C39 | H26 | 180.0° | 180.0° |
| C38 | C36 | C39 | H27 | 60.0° | 60.0° |
| C38 | C36 | C39 | H28 | 60.0° | 60.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C12 | C13 | C30 | C31 | 2.8° | 0.0° |
| C13 | C12 | C11 | N10 | 179.9° | 180.0° |
| C13 | C12 | C11 | C32 | 1.9° | 0.0° |
| C12 | C13 | C30 | H16 | 177.2° | 179.9° |
| C30 | C13 | C12 | C11 | 2.9° | 0.0° |
| C13 | C30 | C31 | H16 | 180.0° | 179.9° |
| C13 | C30 | C31 | C32 | 1.8° | 0.0° |
| C30 | C13 | C12 | H13 | 177.0° | 180.0° |
| C13 | C30 | C31 | H17 | 178.2° | 180.0° |
| C37 | C36 | C39 | C35 | 118.8° | 120.0° |
| C37 | C36 | C35 | C34 | 55.8° | 165.0° |
| C37 | C36 | C35 | N40 | 123.5° | 14.9° |
| C36 | C37 | H20 | H21 | 120.0° | 120.1° |
| C36 | C37 | H20 | H22 | 120.0° | 120.0° |
| C36 | C37 | H21 | H22 | 120.0° | 120.0° |
| C37 | C36 | C38 | H23 | 180.0° | 60.1° |
| C37 | C36 | C38 | H24 | 60.0° | 60.0° |
| C37 | C36 | C38 | H25 | 60.0° | 180.0° |
| C37 | C36 | C39 | H26 | 58.1° | 60.0° |
| C37 | C36 | C39 | H27 | 178.1° | 60.0° |
| C37 | C36 | C39 | H28 | 61.9° | 180.0° |
| C39 | C36 | C35 | C34 | 175.9° | 75.0° |
| C39 | C36 | C35 | N40 | 3.4° | 105.1° |
| C39 | C36 | C37 | H20 | 58.6° | 59.9° |
| C39 | C36 | C37 | H21 | 61.4° | 180.0° |
| C39 | C36 | C37 | H22 | 178.6° | 60.0° |
| C39 | C36 | C38 | H23 | 58.2° | 60.0° |
| C39 | C36 | C38 | H24 | 178.2° | 179.9° |
| C39 | C36 | C38 | H25 | 61.8° | 59.9° |
| C36 | C39 | H26 | H27 | 120.0° | 119.9° |
| C36 | C39 | H26 | H28 | 120.0° | 120.0° |
| C36 | C39 | H27 | H28 | 120.0° | 120.0° |
| C36 | C35 | C34 | N40 | 179.4° | 179.9° |
| C36 | C35 | C34 | C07 | 179.9° | 180.0° |
| C36 | C35 | N40 | N06 | 179.4° | 179.8° |
| C36 | C35 | C34 | H19 | 0.1° | 0.1° |
| C35 | C36 | C37 | H20 | 60.8° | 60.0° |
| C35 | C36 | C37 | H21 | 179.1° | 60.0° |
| C35 | C36 | C37 | H22 | 59.2° | 180.0° |
| C35 | C36 | C38 | H23 | 61.4° | 179.9° |
| C35 | C36 | C38 | H24 | 58.7° | 60.0° |
| C35 | C36 | C38 | H25 | 178.7° | 60.0° |
| C35 | C36 | C39 | H26 | 60.6° | 60.0° |
| C35 | C36 | C39 | H27 | 59.4° | 180.0° |
| C35 | C36 | C39 | H28 | 179.4° | 60.0° |
| C12 | C11 | N10 | C32 | 178.1° | 180.0° |
| C12 | C11 | N10 | C09 | 57.1° | 36.1° |
| C12 | C11 | C32 | C31 | 0.9° | 0.0° |
| C12 | C11 | C32 | H18 | 179.1° | 180.0° |
| C12 | C11 | N10 | H32 | 122.9° | 143.9° |
| C30 | C31 | C32 | C11 | 0.7° | 0.0° |
| C30 | C31 | C32 | H17 | 180.0° | 180.0° |
| C30 | C31 | C32 | H18 | 179.3° | 180.0° |
| O33 | C09 | N10 | C11 | 0.9° | 4.5° |
| O33 | C09 | N10 | N08 | 179.8° | 180.0° |
| O33 | C09 | N08 | C07 | 0.3° | 0.1° |
| O33 | C09 | N08 | H31 | 179.7° | 180.0° |
| O33 | C09 | N10 | H32 | 179.1° | 175.5° |
| C35 | C34 | C07 | H19 | 180.0° | 179.9° |
| C35 | C34 | C07 | N08 | 179.2° | 180.0° |
| C35 | C34 | C07 | N06 | 0.9° | 0.2° |
| C34 | C35 | N40 | N06 | 0.0° | 0.3° |
| C07 | C34 | C35 | N40 | 0.6° | 0.1° |
| C34 | C07 | N08 | C09 | 52.0° | 0.2° |
| C34 | C07 | N08 | N06 | 178.0° | 179.8° |
| C34 | C07 | N06 | N40 | 0.8° | 0.3° |
| C34 | C07 | N06 | C05 | 179.8° | 179.8° |
| C34 | C07 | N08 | H31 | 127.9° | 179.7° |
| C35 | N40 | N06 | C07 | 0.5° | 0.4° |
| C35 | N40 | N06 | C05 | 179.9° | 179.7° |
| N40 | C35 | C34 | H19 | 179.4° | 180.0° |
| C11 | N10 | C09 | H32 | 180.0° | 180.0° |
| C11 | N10 | C09 | N08 | 179.3° | 175.4° |
| N10 | C11 | C32 | C31 | 179.0° | 180.0° |
| N10 | C11 | C12 | H13 | 0.1° | 0.0° |
| N10 | C11 | C32 | H18 | 1.0° | 0.0° |
| C32 | C11 | N10 | C09 | 124.9° | 143.9° |
| C11 | C32 | C31 | H18 | 180.0° | 180.0° |
| C32 | C11 | C12 | H13 | 178.1° | 180.0° |
| C11 | C32 | C31 | H17 | 179.4° | 180.0° |
| C32 | C11 | N10 | H32 | 55.2° | 36.1° |
| N10 | C09 | N08 | C07 | 179.5° | 180.0° |
| N10 | C09 | N08 | H31 | 0.5° | 0.0° |
| C09 | N08 | C07 | H31 | 180.0° | 179.9° |
| C09 | N08 | C07 | N06 | 129.9° | 180.0° |
| N08 | C09 | N10 | H32 | 0.7° | 4.6° |
| C32 | C31 | C30 | H16 | 178.2° | 179.9° |
| N08 | C07 | N06 | N40 | 179.2° | 179.9° |
| N08 | C07 | N06 | C05 | 1.5° | 0.0° |
| N08 | C07 | C34 | H19 | 0.8° | 0.0° |
| C07 | N06 | N40 | C05 | 179.4° | 179.9° |
| C07 | N06 | C05 | C41 | 49.4° | 145.0° |
| C07 | N06 | C05 | C04 | 131.4° | 34.7° |
| N06 | C07 | C34 | H19 | 179.1° | 179.8° |
| N06 | C07 | N08 | H31 | 50.1° | 0.1° |
| N40 | N06 | C05 | C41 | 129.9° | 34.9° |
| N40 | N06 | C05 | C04 | 49.4° | 145.4° |
| N06 | C05 | C41 | C04 | 179.2° | 179.7° |
| N06 | C05 | C41 | C42 | 179.6° | 180.0° |
| N06 | C05 | C04 | C03 | 179.9° | 179.7° |
| N06 | C05 | C04 | H12 | 0.1° | 0.3° |
| N06 | C05 | C41 | H29 | 0.4° | 0.2° |
| C05 | C41 | C42 | H29 | 180.0° | 179.8° |
| C41 | C05 | C04 | C03 | 0.6° | 0.0° |
| C05 | C41 | C42 | C02 | 0.1° | 0.6° |
| C41 | C05 | C04 | H12 | 179.4° | 180.0° |
| C05 | C41 | C42 | H30 | 179.9° | 180.0° |
| C04 | C05 | C41 | C42 | 0.3° | 0.3° |
| C05 | C04 | C03 | H12 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C05 | C04 | C03 | H11 | 179.4° | 180.0° |
| C04 | C05 | C41 | H29 | 179.6° | 179.9° |
| C41 | C42 | C02 | H30 | 180.0° | 179.4° |
| C41 | C42 | C02 | C03 | 0.1° | 0.6° |
| C41 | C42 | C02 | C01 | 179.9° | 179.7° |
| C04 | C03 | C02 | C42 | 0.4° | 0.3° |
| C04 | C03 | C02 | H11 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C42 | C02 | C03 | C01 | 179.8° | 179.7° |
| C42 | C02 | C01 | H8 | 90.1° | 90.2° |
| C42 | C02 | C01 | H9 | 149.9° | 29.8° |
| C42 | C02 | C01 | H10 | 29.9° | 149.7° |
| C42 | C02 | C03 | H11 | 179.6° | 179.7° |
| C02 | C42 | C41 | H29 | 179.9° | 179.7° |
| C03 | C02 | C01 | H8 | 90.1° | 90.0° |
| C03 | C02 | C01 | H9 | 29.9° | 150.0° |
| C03 | C02 | C01 | H10 | 149.9° | 30.0° |
| C02 | C03 | C04 | H12 | 179.4° | 180.0° |
| C03 | C02 | C42 | H30 | 179.9° | 180.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C01 | C02 | C03 | H11 | 0.2° | 0.0° |
| C01 | C02 | C42 | H30 | 0.1° | 0.3° |
| H1 | C15 | N16 | H33 | 0.8° | 0.2° |
| H2 | C21 | C22 | H4 | 4.6° | 177.0° |
| H2 | C21 | C22 | H5 | 114.5° | 56.9° |
| H3 | C21 | C22 | H4 | 124.3° | 56.9° |
| H3 | C21 | C22 | H5 | 5.3° | 63.2° |
| H6 | C24 | C25 | H14 | 19.7° | 63.3° |
| H6 | C24 | C25 | H15 | 138.6° | 56.8° |
| H7 | C24 | C25 | H14 | 100.6° | 56.8° |
| H7 | C24 | C25 | H15 | 18.3° | 176.9° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | C04 | H12 | 0.6° | 0.1° |
| H16 | C30 | C31 | H17 | 1.8° | 0.1° |
| H17 | C31 | C32 | H18 | 0.6° | 0.0° |
| H20 | C37 | H21 | H22 | 120.0° | 119.9° |
| H23 | C38 | H24 | H25 | 120.0° | 120.0° |
| H26 | C39 | H27 | H28 | 120.0° | 120.0° |
| H29 | C41 | C42 | H30 | 0.1° | 0.3° |
