53F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.40Å | 1.38Å | |
| C2 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.72Å | |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.41Å | |
| S8 | N11 | sing | 1.66Å | 1.73Å | |
| C12 | N11 | sing | 1.47Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| N11 | C16 | sing | 1.47Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.36Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| C32 | C19 | sing | 1.53Å | 1.56Å | |
| C32 | C07 | sing | 1.51Å | 1.51Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | O1 | sing | 1.36Å | 1.39Å | |
| N20 | C21 | sing | 1.35Å | 1.38Å | |
| O22 | C21 | doub | 1.22Å | 1.24Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C21 | O23 | sing | 1.35Å | 1.36Å | |
| O23 | C24 | sing | 1.45Å | 1.41Å | |
| C24 | C01 | sing | 1.53Å | 1.51Å | |
| C24 | C31 | sing | 1.51Å | 1.53Å | |
| C41 | C29 | sing | 1.55Å | 1.58Å | |
| C41 | C31 | sing | 1.54Å | 1.54Å | |
| C41 | O41 | sing | 1.43Å | 1.39Å | |
| C29 | O28 | sing | 1.43Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C31 | C27 | sing | 1.54Å | 1.55Å | |
| O28 | C27 | sing | 1.45Å | 1.42Å | |
| C02 | O01 | sing | 1.42Å | 1.43Å | |
| C27 | O01 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.08Å | 1.08Å | |
| C06 | H27 | sing | 1.08Å | 1.08Å | |
| C05 | H28 | sing | 1.08Å | 1.08Å | |
| O41 | H29 | sing | 0.97Å | 0.95Å | |
| C03 | H30 | sing | 1.08Å | 1.08Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C01 | H33 | sing | 1.09Å | 1.10Å | |
| C01 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C02 | H40 | sing | 1.09Å | 1.10Å | |
| C02 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C7 | 123.3° | 120.1° |
| N1 | C2 | C3 | 122.7° | 120.1° |
| C2 | N1 | H1 | 109.5° | 119.9° |
| C2 | N1 | H2 | 109.5° | 120.0° |
| C7 | C2 | C3 | 114.0° | 119.9° |
| C2 | C7 | C6 | 121.8° | 119.9° |
| C2 | C7 | H18 | 119.1° | 120.0° |
| C2 | C3 | C4 | 122.1° | 119.9° |
| C2 | C3 | H17 | 118.9° | 120.0° |
| C7 | C6 | C5 | 125.5° | 120.1° |
| C7 | C6 | H4 | 117.3° | 120.0° |
| C6 | C7 | H18 | 119.1° | 120.1° |
| C3 | C4 | C5 | 126.2° | 120.1° |
| C3 | C4 | H3 | 116.9° | 120.0° |
| C4 | C3 | H17 | 119.0° | 120.1° |
| C6 | C5 | C4 | 110.5° | 120.1° |
| C6 | C5 | S8 | 126.0° | 119.9° |
| C5 | C6 | H4 | 117.3° | 120.0° |
| C4 | C5 | S8 | 123.5° | 119.9° |
| C5 | C4 | H3 | 116.9° | 120.0° |
| C5 | S8 | O9 | 108.8° | 106.4° |
| C5 | S8 | O10 | 113.8° | 106.4° |
| C5 | S8 | N11 | 112.4° | 107.2° |
| O9 | S8 | O10 | 112.9° | 123.2° |
| O9 | S8 | N11 | 103.5° | 106.4° |
| O10 | S8 | N11 | 105.0° | 106.4° |
| S8 | N11 | C12 | 115.5° | 120.0° |
| S8 | N11 | C16 | 117.4° | 119.9° |
| N11 | C12 | C13 | 118.5° | 109.4° |
| C12 | N11 | C16 | 109.0° | 120.0° |
| N11 | C12 | H5 | 107.1° | 109.4° |
| N11 | C12 | H6 | 107.1° | 109.4° |
| C12 | C13 | C14 | 111.0° | 109.5° |
| C12 | C13 | C15 | 112.4° | 109.4° |
| C13 | C12 | H5 | 107.2° | 109.5° |
| C13 | C12 | H6 | 107.2° | 109.6° |
| C12 | C13 | H7 | 108.5° | 109.5° |
| N11 | C16 | C17 | 115.8° | 109.5° |
| N11 | C16 | H19 | 107.9° | 109.5° |
| N11 | C16 | H20 | 107.9° | 109.4° |
| C16 | C17 | O18 | 112.2° | 109.5° |
| C16 | C17 | C19 | 116.3° | 109.5° |
| C17 | C16 | H19 | 107.9° | 109.5° |
| C17 | C16 | H20 | 107.9° | 109.5° |
| C16 | C17 | H21 | 105.0° | 109.4° |
| C14 | C13 | C15 | 107.0° | 109.4° |
| C14 | C13 | H7 | 108.9° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.5° |
| C13 | C14 | H10 | 109.5° | 109.4° |
| C15 | C13 | H7 | 108.9° | 109.5° |
| C13 | C15 | H11 | 109.5° | 109.4° |
| C13 | C15 | H12 | 109.5° | 109.4° |
| C13 | C15 | H13 | 109.5° | 109.5° |
| O18 | C17 | C19 | 110.5° | 109.5° |
| O18 | C17 | H21 | 107.1° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C17 | C19 | C32 | 108.5° | 109.4° |
| C17 | C19 | N20 | 111.6° | 109.4° |
| C19 | C17 | H21 | 105.0° | 109.5° |
| C17 | C19 | H23 | 109.4° | 109.5° |
| C19 | C32 | C07 | 116.8° | 109.5° |
| C32 | C19 | N20 | 107.4° | 109.5° |
| C32 | C19 | H23 | 109.3° | 109.5° |
| C19 | C32 | H24 | 107.6° | 109.5° |
| C19 | C32 | H25 | 107.6° | 109.5° |
| C32 | C07 | C08 | 120.6° | 119.9° |
| C32 | C07 | C06 | 124.0° | 120.0° |
| C07 | C32 | H24 | 107.6° | 109.4° |
| C07 | C32 | H25 | 107.6° | 109.5° |
| C19 | N20 | C21 | 121.7° | 120.0° |
| N20 | C19 | H23 | 110.7° | 109.5° |
| C19 | N20 | H31 | 119.2° | 120.0° |
| C07 | C08 | C03 | 123.4° | 120.0° |
| C08 | C07 | C06 | 115.4° | 120.1° |
| C07 | C08 | H26 | 118.3° | 119.9° |
| C08 | C03 | C09 | 120.6° | 120.0° |
| C03 | C08 | H26 | 118.3° | 120.1° |
| C08 | C03 | H30 | 119.7° | 119.9° |
| C07 | C06 | C05 | 122.0° | 120.1° |
| C07 | C06 | H27 | 119.0° | 120.0° |
| C03 | C09 | C05 | 117.5° | 119.9° |
| C03 | C09 | O1 | 120.8° | 120.1° |
| C09 | C03 | H30 | 119.7° | 120.0° |
| C06 | C05 | C09 | 121.2° | 119.9° |
| C05 | C06 | H27 | 119.0° | 119.9° |
| C06 | C05 | H28 | 119.4° | 120.0° |
| C05 | C09 | O1 | 121.8° | 120.1° |
| C09 | C05 | H28 | 119.4° | 120.0° |
| C09 | O1 | C1 | 119.7° | 117.0° |
| N20 | C21 | O22 | 121.5° | 120.0° |
| N20 | C21 | O23 | 117.0° | 120.0° |
| C21 | N20 | H31 | 119.1° | 120.0° |
| O22 | C21 | O23 | 119.6° | 120.0° |
| O1 | C1 | H14 | 109.5° | 109.4° |
| O1 | C1 | H15 | 109.5° | 109.4° |
| O1 | C1 | H16 | 109.5° | 109.5° |
| C21 | O23 | C24 | 121.3° | 117.0° |
| O23 | C24 | C01 | 111.2° | 109.2° |
| O23 | C24 | C31 | 106.7° | 109.2° |
| O23 | C24 | H32 | 111.0° | 109.2° |
| C01 | C24 | C31 | 109.0° | 111.0° |
| C24 | C01 | C02 | 110.1° | 107.9° |
| C01 | C24 | H32 | 109.6° | 109.2° |
| C24 | C01 | H33 | 109.3° | 109.8° |
| C24 | C01 | H34 | 109.3° | 109.8° |
| C24 | C31 | C41 | 118.8° | 112.0° |
| C24 | C31 | C27 | 112.6° | 113.0° |
| C31 | C24 | H32 | 109.3° | 109.2° |
| C24 | C31 | H35 | 108.6° | 109.9° |
| C29 | C41 | C31 | 104.1° | 101.6° |
| C29 | C41 | O41 | 110.9° | 111.0° |
| C41 | C29 | O28 | 107.6° | 107.6° |
| C29 | C41 | H36 | 109.4° | 111.0° |
| C41 | C29 | H37 | 109.9° | 109.8° |
| C41 | C29 | H38 | 110.0° | 109.8° |
| C31 | C41 | O41 | 110.1° | 111.0° |
| C41 | C31 | C27 | 99.4° | 101.5° |
| C41 | C31 | H35 | 108.4° | 110.3° |
| C31 | C41 | H36 | 109.8° | 111.0° |
| C41 | O41 | H29 | 109.5° | 114.0° |
| O41 | C41 | H36 | 112.2° | 110.9° |
| C29 | O28 | C27 | 106.4° | 109.5° |
| O28 | C29 | H37 | 110.0° | 109.9° |
| O28 | C29 | H38 | 110.0° | 109.9° |
| C01 | C02 | O01 | 114.1° | 108.3° |
| C02 | C01 | H33 | 109.3° | 109.8° |
| C02 | C01 | H34 | 109.3° | 109.8° |
| C01 | C02 | H40 | 108.3° | 109.7° |
| C01 | C02 | H41 | 108.3° | 109.7° |
| C31 | C27 | O28 | 107.0° | 103.8° |
| C31 | C27 | O01 | 117.9° | 110.9° |
| C27 | C31 | H35 | 108.4° | 109.9° |
| C31 | C27 | H39 | 106.3° | 111.6° |
| O28 | C27 | O01 | 109.8° | 106.3° |
| O28 | C27 | H39 | 107.8° | 111.6° |
| C02 | O01 | C27 | 118.6° | 116.1° |
| O01 | C02 | H40 | 108.3° | 109.7° |
| O01 | C02 | H41 | 108.3° | 109.7° |
| O01 | C27 | H39 | 107.7° | 112.2° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H14 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H33 | C01 | H34 | 109.4° | 109.8° |
| H37 | C29 | H38 | 109.5° | 109.9° |
| H40 | C02 | H41 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C7 | C3 | 179.9° | 179.8° |
| N1 | C2 | C7 | C6 | 179.6° | 180.0° |
| N1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | N1 | H1 | H2 | 120.0° | 179.7° |
| N1 | C2 | C3 | H17 | 0.2° | 0.0° |
| N1 | C2 | C7 | H18 | 0.4° | 0.0° |
| C2 | C7 | C6 | H18 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C2 | N1 | H1 | 180.0° | 0.0° |
| C7 | C2 | N1 | H2 | 60.0° | 179.7° |
| C2 | C7 | C6 | H4 | 179.7° | 179.7° |
| C7 | C2 | C3 | H17 | 179.9° | 179.8° |
| C3 | C2 | C7 | C6 | 0.2° | 0.3° |
| C2 | C3 | C4 | H17 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | N1 | H1 | 0.2° | 179.7° |
| C3 | C2 | N1 | H2 | 119.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C7 | H18 | 179.7° | 179.7° |
| C7 | C6 | C5 | H4 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.1° | 0.2° |
| C7 | C6 | C5 | S8 | 179.4° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | S8 | 179.5° | 179.7° |
| C6 | C5 | C4 | S8 | 179.5° | 179.9° |
| C6 | C5 | S8 | O9 | 23.5° | 156.4° |
| C6 | C5 | S8 | O10 | 150.3° | 23.4° |
| C6 | C5 | S8 | N11 | 90.5° | 90.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H18 | 179.7° | 180.0° |
| C4 | C5 | S8 | O9 | 157.1° | 23.5° |
| C4 | C5 | S8 | O10 | 30.3° | 156.5° |
| C4 | C5 | S8 | N11 | 88.9° | 90.1° |
| C4 | C5 | C6 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | H17 | 180.0° | 180.0° |
| C5 | S8 | O9 | O10 | 127.3° | 123.0° |
| C5 | S8 | O9 | N11 | 119.7° | 114.1° |
| C5 | S8 | O10 | N11 | 123.3° | 114.0° |
| C5 | S8 | N11 | C12 | 42.0° | 90.0° |
| C5 | S8 | N11 | C16 | 88.8° | 90.0° |
| S8 | C5 | C4 | H3 | 0.5° | 0.1° |
| S8 | C5 | C6 | H4 | 0.7° | 0.1° |
| O9 | S8 | O10 | N11 | 112.0° | 122.9° |
| O9 | S8 | N11 | C12 | 159.2° | 156.4° |
| O9 | S8 | N11 | C16 | 28.4° | 23.6° |
| O10 | S8 | N11 | C12 | 82.3° | 23.5° |
| O10 | S8 | N11 | C16 | 146.9° | 156.5° |
| S8 | N11 | C12 | C16 | 134.7° | 180.0° |
| S8 | N11 | C12 | C13 | 114.7° | 115.9° |
| S8 | N11 | C16 | C17 | 109.2° | 99.6° |
| S8 | N11 | C12 | H5 | 6.6° | 124.1° |
| S8 | N11 | C12 | H6 | 124.0° | 4.2° |
| S8 | N11 | C16 | H19 | 129.9° | 20.4° |
| S8 | N11 | C16 | H20 | 11.7° | 140.4° |
| N11 | C12 | C13 | H5 | 121.3° | 119.9° |
| N11 | C12 | C13 | H6 | 121.3° | 120.0° |
| C12 | N11 | C16 | C17 | 117.1° | 80.4° |
| N11 | C12 | C13 | C14 | 143.0° | 62.7° |
| N11 | C12 | C13 | C15 | 23.2° | 177.4° |
| N11 | C12 | H5 | H6 | 115.9° | 119.9° |
| N11 | C12 | C13 | H7 | 97.4° | 57.4° |
| C12 | N11 | C16 | H19 | 3.8° | 159.6° |
| C12 | N11 | C16 | H20 | 122.0° | 39.6° |
| C13 | C12 | N11 | C16 | 110.6° | 64.1° |
| C12 | C13 | C14 | C15 | 123.0° | 119.9° |
| C12 | C13 | C14 | H7 | 119.4° | 120.1° |
| C12 | C13 | C15 | H7 | 120.3° | 120.0° |
| C13 | C12 | H5 | H6 | 115.9° | 120.1° |
| C12 | C13 | C14 | H8 | 180.0° | 64.4° |
| C12 | C13 | C14 | H9 | 60.0° | 175.6° |
| C12 | C13 | C14 | H10 | 60.0° | 55.6° |
| C12 | C13 | C15 | H11 | 180.0° | 60.0° |
| C12 | C13 | C15 | H12 | 60.0° | 180.0° |
| C12 | C13 | C15 | H13 | 60.0° | 60.0° |
| N11 | C16 | C17 | H19 | 120.9° | 120.0° |
| N11 | C16 | C17 | H20 | 120.9° | 120.0° |
| N11 | C16 | C17 | O18 | 176.7° | 64.2° |
| N11 | C16 | C17 | C19 | 48.1° | 175.8° |
| C16 | N11 | C12 | H5 | 128.1° | 55.9° |
| C16 | N11 | C12 | H6 | 10.7° | 175.8° |
| N11 | C16 | H19 | H20 | 117.1° | 120.0° |
| N11 | C16 | C17 | H21 | 67.4° | 55.8° |
| C16 | C17 | O18 | C19 | 131.6° | 120.0° |
| C16 | C17 | O18 | H21 | 114.7° | 120.0° |
| C16 | C17 | C19 | H21 | 115.5° | 120.0° |
| C16 | C17 | C19 | C32 | 80.8° | 65.0° |
| C16 | C17 | C19 | N20 | 161.1° | 175.0° |
| C17 | C16 | H19 | H20 | 117.1° | 120.0° |
| C16 | C17 | O18 | H22 | 180.0° | 60.0° |
| C16 | C17 | C19 | H23 | 38.3° | 55.0° |
| C14 | C13 | C15 | H7 | 117.6° | 120.0° |
| C14 | C13 | C12 | H5 | 95.8° | 177.4° |
| C14 | C13 | C12 | H6 | 21.7° | 57.3° |
| C13 | C14 | H8 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H10 | 120.0° | 119.9° |
| C13 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | C13 | C15 | H11 | 57.9° | 180.0° |
| C14 | C13 | C15 | H12 | 62.1° | 60.0° |
| C14 | C13 | C15 | H13 | 178.0° | 60.0° |
| C15 | C13 | C12 | H5 | 144.5° | 57.4° |
| C15 | C13 | C12 | H6 | 98.1° | 62.6° |
| C15 | C13 | C14 | H8 | 57.1° | 55.5° |
| C15 | C13 | C14 | H9 | 177.0° | 64.5° |
| C15 | C13 | C14 | H10 | 63.0° | 175.5° |
| C13 | C15 | H11 | H12 | 120.0° | 120.0° |
| C13 | C15 | H11 | H13 | 120.0° | 119.9° |
| C13 | C15 | H12 | H13 | 120.0° | 120.0° |
| O18 | C17 | C19 | H21 | 115.1° | 120.0° |
| O18 | C17 | C19 | C32 | 48.6° | 55.0° |
| O18 | C17 | C19 | N20 | 69.5° | 65.0° |
| O18 | C17 | C16 | H19 | 62.4° | 55.8° |
| O18 | C17 | C16 | H20 | 55.8° | 175.8° |
| O18 | C17 | C19 | H23 | 167.7° | 175.0° |
| C17 | C19 | C32 | N20 | 120.8° | 120.0° |
| C17 | C19 | C32 | H23 | 119.1° | 120.0° |
| C17 | C19 | C32 | C07 | 172.2° | 175.0° |
| C17 | C19 | N20 | H23 | 122.0° | 120.0° |
| C17 | C19 | N20 | C21 | 134.8° | 155.0° |
| C19 | C17 | C16 | H19 | 169.0° | 64.2° |
| C19 | C17 | C16 | H20 | 72.8° | 55.8° |
| C19 | C17 | O18 | H22 | 48.4° | 60.0° |
| C17 | C19 | C32 | H24 | 51.1° | 65.1° |
| C17 | C19 | C32 | H25 | 66.8° | 55.0° |
| C17 | C19 | N20 | H31 | 45.2° | 25.0° |
| C19 | C32 | C07 | H24 | 121.0° | 120.0° |
| C19 | C32 | C07 | H25 | 121.1° | 120.1° |
| C32 | C19 | N20 | H23 | 119.2° | 120.0° |
| C19 | C32 | C07 | C08 | 60.6° | 89.7° |
| C19 | C32 | C07 | C06 | 119.0° | 90.0° |
| C32 | C19 | N20 | C21 | 106.4° | 85.0° |
| C32 | C19 | C17 | H21 | 163.7° | 175.1° |
| C19 | C32 | H24 | H25 | 116.7° | 120.1° |
| C32 | C19 | N20 | H31 | 73.5° | 94.9° |
| C07 | C32 | C19 | N20 | 51.4° | 65.0° |
| C32 | C07 | C08 | C06 | 179.7° | 179.7° |
| C32 | C07 | C08 | C03 | 179.9° | 180.0° |
| C32 | C07 | C06 | C05 | 179.7° | 180.0° |
| C07 | C32 | C19 | H23 | 68.7° | 55.1° |
| C07 | C32 | H24 | H25 | 116.7° | 120.0° |
| C32 | C07 | C08 | H26 | 0.1° | 0.0° |
| C32 | C07 | C06 | H27 | 0.3° | 0.0° |
| C19 | N20 | C21 | H31 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 3.7° | 0.0° |
| C19 | N20 | C21 | O23 | 160.4° | 180.0° |
| N20 | C19 | C17 | H21 | 45.6° | 55.0° |
| N20 | C19 | C32 | H24 | 69.6° | 54.9° |
| N20 | C19 | C32 | H25 | 172.5° | 175.0° |
| C07 | C08 | C03 | H26 | 180.0° | 179.9° |
| C07 | C08 | C03 | C09 | 0.3° | 0.1° |
| C08 | C07 | C06 | C05 | 0.1° | 0.3° |
| C08 | C07 | C32 | H24 | 178.3° | 150.3° |
| C08 | C07 | C32 | H25 | 60.4° | 30.3° |
| C08 | C07 | C06 | H27 | 179.9° | 179.7° |
| C07 | C08 | C03 | H30 | 179.6° | 179.9° |
| C03 | C08 | C07 | C06 | 0.2° | 0.3° |
| C08 | C03 | C09 | H30 | 180.0° | 180.0° |
| C08 | C03 | C09 | C05 | 0.2° | 0.2° |
| C08 | C03 | C09 | O1 | 179.9° | 179.9° |
| C07 | C06 | C05 | H27 | 180.0° | 179.9° |
| C07 | C06 | C05 | C09 | 0.0° | 0.1° |
| C06 | C07 | C32 | H24 | 2.0° | 30.0° |
| C06 | C07 | C32 | H25 | 119.9° | 150.0° |
| C06 | C07 | C08 | H26 | 179.8° | 179.7° |
| C07 | C06 | C05 | H28 | 180.0° | 180.0° |
| C03 | C09 | C05 | C06 | 0.1° | 0.2° |
| C03 | C09 | C05 | O1 | 179.8° | 179.7° |
| C03 | C09 | O1 | C1 | 143.1° | 0.3° |
| C09 | C03 | C08 | H26 | 179.7° | 180.0° |
| C03 | C09 | C05 | H28 | 179.9° | 179.7° |
| C06 | C05 | C09 | H28 | 180.0° | 179.9° |
| C06 | C05 | C09 | O1 | 179.9° | 179.9° |
| C05 | C09 | O1 | C1 | 37.1° | 180.0° |
| C09 | C05 | C06 | H27 | 180.0° | 180.0° |
| C05 | C09 | C03 | H30 | 179.7° | 179.8° |
| C09 | O1 | C1 | H14 | 180.0° | 60.0° |
| C09 | O1 | C1 | H15 | 60.0° | 180.0° |
| C09 | O1 | C1 | H16 | 60.0° | 60.0° |
| O1 | C09 | C05 | H28 | 0.1° | 0.0° |
| O1 | C09 | C03 | H30 | 0.1° | 0.1° |
| N20 | C21 | O22 | O23 | 163.7° | 180.0° |
| N20 | C21 | O23 | C24 | 178.4° | 180.0° |
| C21 | N20 | C19 | H23 | 12.8° | 35.0° |
| O22 | C21 | O23 | C24 | 17.2° | 0.0° |
| O22 | C21 | N20 | H31 | 176.3° | 180.0° |
| O1 | C1 | H14 | H15 | 120.0° | 119.9° |
| O1 | C1 | H14 | H16 | 120.0° | 120.0° |
| O1 | C1 | H15 | H16 | 120.0° | 120.0° |
| C21 | O23 | C24 | C01 | 95.0° | 90.0° |
| C21 | O23 | C24 | C31 | 146.2° | 148.5° |
| O23 | C21 | N20 | H31 | 19.6° | 0.0° |
| C21 | O23 | C24 | H32 | 27.2° | 29.2° |
| O23 | C24 | C01 | C31 | 117.3° | 120.3° |
| O23 | C24 | C01 | H32 | 123.0° | 119.3° |
| O23 | C24 | C31 | H32 | 120.1° | 119.3° |
| O23 | C24 | C31 | C41 | 46.0° | 55.8° |
| O23 | C24 | C01 | C02 | 57.3° | 176.9° |
| O23 | C24 | C31 | C27 | 69.5° | 169.6° |
| O23 | C24 | C01 | H33 | 177.5° | 63.5° |
| O23 | C24 | C01 | H34 | 62.8° | 57.3° |
| O23 | C24 | C31 | H35 | 170.5° | 67.2° |
| C01 | C24 | C31 | H32 | 119.8° | 120.3° |
| C01 | C24 | C31 | C41 | 166.2° | 64.6° |
| C24 | C01 | C02 | H33 | 120.1° | 119.6° |
| C24 | C01 | C02 | H34 | 120.1° | 119.7° |
| C01 | C24 | C31 | C27 | 50.7° | 49.3° |
| C24 | C01 | C02 | O01 | 54.8° | 61.6° |
| C24 | C01 | H33 | H34 | 119.7° | 120.8° |
| C01 | C24 | C31 | H35 | 69.3° | 172.4° |
| C24 | C01 | C02 | H40 | 175.5° | 58.0° |
| C24 | C01 | C02 | H41 | 65.9° | 178.7° |
| C24 | C31 | C41 | C29 | 98.9° | 156.5° |
| C24 | C31 | C41 | C27 | 122.3° | 120.7° |
| C24 | C31 | C41 | H35 | 124.6° | 122.8° |
| C24 | C31 | C41 | O41 | 142.1° | 85.4° |
| C31 | C24 | C01 | C02 | 60.0° | 56.6° |
| C24 | C31 | C27 | H35 | 120.1° | 123.2° |
| C24 | C31 | C27 | O28 | 88.2° | 159.4° |
| C24 | C31 | C27 | O01 | 36.0° | 45.6° |
| C31 | C24 | C01 | H33 | 60.1° | 176.2° |
| C31 | C24 | C01 | H34 | 179.9° | 63.1° |
| C24 | C31 | C41 | H36 | 18.1° | 38.4° |
| C24 | C31 | C27 | H39 | 156.8° | 80.3° |
| C29 | C41 | C31 | O41 | 119.0° | 118.1° |
| C29 | C41 | C31 | H36 | 117.0° | 118.1° |
| C29 | C41 | O41 | H36 | 122.6° | 123.9° |
| C41 | C29 | O28 | H37 | 119.7° | 119.5° |
| C41 | C29 | O28 | H38 | 119.7° | 119.5° |
| C29 | C41 | C31 | C27 | 23.5° | 35.8° |
| C41 | C29 | O28 | C27 | 21.9° | 4.1° |
| C29 | C41 | O41 | H29 | 180.0° | 61.5° |
| C29 | C41 | C31 | H35 | 136.5° | 80.7° |
| C41 | C29 | H37 | H38 | 120.9° | 120.9° |
| C31 | C41 | O41 | H36 | 122.6° | 123.9° |
| C31 | C41 | C29 | O28 | 2.8° | 20.7° |
| C41 | C31 | C27 | H35 | 113.1° | 116.8° |
| C41 | C31 | C27 | O28 | 38.5° | 39.4° |
| C41 | C31 | C27 | O01 | 162.7° | 74.4° |
| C31 | C41 | O41 | H29 | 65.2° | 173.7° |
| C41 | C31 | C24 | H32 | 74.1° | 175.1° |
| C31 | C41 | C29 | H37 | 117.0° | 140.2° |
| C31 | C41 | C29 | H38 | 122.5° | 98.8° |
| C41 | C31 | C27 | H39 | 76.4° | 159.7° |
| O41 | C41 | C29 | O28 | 115.7° | 138.8° |
| O41 | C41 | C31 | C27 | 95.6° | 153.8° |
| O41 | C41 | C31 | H35 | 17.5° | 37.3° |
| O41 | C41 | C29 | H37 | 124.6° | 101.7° |
| O41 | C41 | C29 | H38 | 4.0° | 19.3° |
| C29 | O28 | C27 | C31 | 38.9° | 27.5° |
| C29 | O28 | C27 | O01 | 167.9° | 89.5° |
| O28 | C29 | C41 | H36 | 120.1° | 97.3° |
| O28 | C29 | H37 | H38 | 120.9° | 121.0° |
| C29 | O28 | C27 | H39 | 75.1° | 147.8° |
| C01 | C02 | O01 | H40 | 120.7° | 119.7° |
| C01 | C02 | O01 | H41 | 120.7° | 119.7° |
| C01 | C02 | O01 | C27 | 39.5° | 63.0° |
| C02 | C01 | C24 | H32 | 179.6° | 63.8° |
| C02 | C01 | H33 | H34 | 119.7° | 120.8° |
| C01 | C02 | H40 | H41 | 117.9° | 120.6° |
| C31 | C27 | O28 | O01 | 129.1° | 117.0° |
| C31 | C27 | O28 | H39 | 113.9° | 120.3° |
| C31 | C27 | O01 | C02 | 30.4° | 54.0° |
| C31 | C27 | O01 | H39 | 120.1° | 125.5° |
| C27 | C31 | C24 | H32 | 170.4° | 71.1° |
| C27 | C31 | C41 | H36 | 140.5° | 82.3° |
| O28 | C27 | O01 | C02 | 92.4° | 166.2° |
| O28 | C27 | O01 | H39 | 117.1° | 122.3° |
| O28 | C27 | C31 | H35 | 151.6° | 77.4° |
| C27 | O28 | C29 | H37 | 141.6° | 115.4° |
| C27 | O28 | C29 | H38 | 97.8° | 123.6° |
| O01 | C02 | C01 | H33 | 65.3° | 178.8° |
| O01 | C02 | C01 | H34 | 174.9° | 58.0° |
| C02 | O01 | C27 | H39 | 150.5° | 71.5° |
| O01 | C02 | H40 | H41 | 117.9° | 120.6° |
| O01 | C27 | C31 | H35 | 84.1° | 168.8° |
| C27 | O01 | C02 | H40 | 160.1° | 56.7° |
| C27 | O01 | C02 | H41 | 81.2° | 177.3° |
| H3 | C4 | C3 | H17 | 0.0° | 0.2° |
| H4 | C6 | C7 | H18 | 0.3° | 0.3° |
| H5 | C12 | C13 | H7 | 23.9° | 62.5° |
| H6 | C12 | C13 | H7 | 141.4° | 177.4° |
| H7 | C13 | C14 | H8 | 60.5° | 175.5° |
| H7 | C13 | C14 | H9 | 59.4° | 55.5° |
| H7 | C13 | C14 | H10 | 179.4° | 64.5° |
| H7 | C13 | C15 | H11 | 59.7° | 60.0° |
| H7 | C13 | C15 | H12 | 179.7° | 60.0° |
| H7 | C13 | C15 | H13 | 60.3° | 180.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C15 | H12 | H13 | 120.0° | 120.1° |
| H14 | C1 | H15 | H16 | 120.0° | 120.1° |
| H19 | C16 | C17 | H21 | 53.5° | 175.8° |
| H20 | C16 | C17 | H21 | 171.7° | 64.2° |
| H21 | C17 | O18 | H22 | 65.4° | 180.0° |
| H21 | C17 | C19 | H23 | 77.2° | 65.0° |
| H23 | C19 | C32 | H24 | 170.3° | 174.9° |
| H23 | C19 | C32 | H25 | 52.4° | 65.0° |
| H23 | C19 | N20 | H31 | 167.3° | 145.0° |
| H26 | C08 | C03 | H30 | 0.4° | 0.0° |
| H27 | C06 | C05 | H28 | 0.0° | 0.1° |
| H29 | O41 | C41 | H36 | 57.4° | 62.4° |
| H32 | C24 | C01 | H33 | 59.5° | 55.8° |
| H32 | C24 | C01 | H34 | 60.3° | 176.6° |
| H32 | C24 | C31 | H35 | 50.4° | 52.1° |
| H33 | C01 | C02 | H40 | 55.4° | 61.6° |
| H33 | C01 | C02 | H41 | 174.0° | 59.1° |
| H34 | C01 | C02 | H40 | 64.4° | 177.7° |
| H34 | C01 | C02 | H41 | 54.3° | 61.7° |
| H35 | C31 | C41 | H36 | 106.5° | 161.2° |
| H35 | C31 | C27 | H39 | 36.7° | 42.9° |
| H36 | C41 | C29 | H37 | 0.4° | 22.2° |
| H36 | C41 | C29 | H38 | 120.2° | 143.1° |
