A1BLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.34Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.26Å | |
| C1 | N2 | sing | 1.34Å | 1.37Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| S1 | C4 | sing | 1.84Å | 1.82Å | |
| S1 | C5 | sing | 1.84Å | 1.86Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | C5 | sing | 1.55Å | 1.52Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| O2 | C10 | doub | 1.21Å | 1.27Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| N3 | C10 | sing | 1.35Å | 1.39Å | |
| N3 | C11 | sing | 1.46Å | 1.45Å | |
| N4 | C15 | sing | 1.47Å | 1.51Å | |
| N4 | C16 | sing | 1.47Å | 1.49Å | |
| N4 | C22 | sing | 1.47Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| N5 | C17 | doub | 1.32Å | 1.37Å | Aromatic |
| N5 | C21 | sing | 1.32Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| N6 | C23 | doub | 1.32Å | 1.39Å | Aromatic |
| N6 | C24 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C27 | sing | 1.38Å | 1.47Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | H06 | sing | 1.09Å | 1.10Å | |
| C4 | H07 | sing | 1.09Å | 1.10Å | |
| N3 | H05 | sing | 0.97Å | 1.00Å | |
| C2 | H02 | sing | 1.09Å | 1.10Å | |
| N1 | H01 | sing | 0.97Å | 1.00Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H09 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.08Å | 1.08Å | |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H04 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H03 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 123.9° | 123.1° |
| N1 | C1 | N2 | 111.7° | 113.8° |
| C1 | N1 | C2 | 112.0° | 109.1° |
| C1 | N1 | H01 | 124.0° | 125.4° |
| O1 | C1 | N2 | 124.4° | 123.1° |
| C1 | N2 | C3 | 109.7° | 109.0° |
| C1 | N2 | H03 | 125.1° | 125.5° |
| N1 | C2 | C3 | 102.5° | 104.0° |
| N1 | C2 | C5 | 116.1° | 109.2° |
| N1 | C2 | H02 | 110.6° | 110.6° |
| C2 | N1 | H01 | 124.0° | 125.5° |
| C4 | S1 | C5 | 88.7° | 94.8° |
| S1 | C4 | C3 | 103.5° | 102.9° |
| S1 | C4 | H06 | 110.9° | 110.8° |
| S1 | C4 | H07 | 110.9° | 110.8° |
| S1 | C5 | C2 | 101.9° | 102.7° |
| S1 | C5 | C6 | 114.6° | 110.9° |
| S1 | C5 | H09 | 105.7° | 110.8° |
| C3 | C2 | C5 | 108.7° | 112.3° |
| C2 | C3 | N2 | 104.1° | 104.0° |
| C2 | C3 | C4 | 109.5° | 112.4° |
| C3 | C2 | H02 | 108.9° | 110.2° |
| C2 | C3 | H04 | 109.1° | 110.3° |
| C2 | C5 | C6 | 114.8° | 110.8° |
| C5 | C2 | H02 | 109.7° | 110.4° |
| C2 | C5 | H09 | 109.5° | 110.7° |
| N2 | C3 | C4 | 113.7° | 109.2° |
| N2 | C3 | H04 | 110.6° | 110.5° |
| C3 | N2 | H03 | 125.1° | 125.5° |
| O2 | C10 | N3 | 121.1° | 120.0° |
| O2 | C10 | C9 | 120.3° | 120.0° |
| C3 | C4 | H06 | 111.0° | 110.7° |
| C3 | C4 | H07 | 110.9° | 110.8° |
| C4 | C3 | H04 | 109.7° | 110.3° |
| C10 | N3 | C11 | 123.2° | 120.0° |
| N3 | C10 | C9 | 118.6° | 120.0° |
| C10 | N3 | H05 | 118.4° | 120.0° |
| N3 | C11 | C12 | 115.8° | 109.5° |
| C11 | N3 | H05 | 118.4° | 120.0° |
| N3 | C11 | H19 | 107.9° | 109.5° |
| N3 | C11 | H18 | 107.9° | 109.4° |
| C15 | N4 | C16 | 108.1° | 111.0° |
| C15 | N4 | C22 | 113.9° | 111.0° |
| N4 | C15 | C14 | 113.3° | 109.5° |
| N4 | C15 | H26 | 108.5° | 109.4° |
| N4 | C15 | H27 | 108.5° | 109.5° |
| C16 | N4 | C22 | 110.6° | 111.0° |
| N4 | C16 | C17 | 117.1° | 109.4° |
| N4 | C16 | H29 | 107.5° | 109.5° |
| N4 | C16 | H28 | 107.5° | 109.5° |
| N4 | C22 | C23 | 115.2° | 109.4° |
| N4 | C22 | H34 | 108.0° | 109.5° |
| N4 | C22 | H35 | 108.0° | 109.5° |
| C5 | C6 | C7 | 112.6° | 109.5° |
| C5 | C6 | H11 | 108.7° | 109.5° |
| C5 | C6 | H10 | 108.7° | 109.5° |
| C6 | C5 | H09 | 109.7° | 110.7° |
| C17 | N5 | C21 | 116.2° | 121.7° |
| N5 | C17 | C16 | 117.4° | 119.6° |
| N5 | C17 | C18 | 122.2° | 120.7° |
| N5 | C21 | C20 | 124.8° | 120.8° |
| N5 | C21 | H33 | 117.6° | 119.6° |
| C6 | C7 | C8 | 113.3° | 109.5° |
| C7 | C6 | H11 | 108.7° | 109.5° |
| C7 | C6 | H10 | 108.7° | 109.4° |
| C6 | C7 | H13 | 108.5° | 109.5° |
| C6 | C7 | H12 | 108.5° | 109.4° |
| C23 | N6 | C24 | 116.5° | 121.8° |
| N6 | C23 | C22 | 111.5° | 119.6° |
| N6 | C23 | C27 | 124.4° | 120.7° |
| N6 | C24 | C25 | 123.3° | 120.7° |
| N6 | C24 | H36 | 118.4° | 119.7° |
| C7 | C8 | C9 | 114.0° | 109.5° |
| C7 | C8 | H15 | 108.3° | 109.5° |
| C7 | C8 | H14 | 108.3° | 109.5° |
| C8 | C7 | H13 | 108.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.5° |
| C8 | C9 | C10 | 116.5° | 109.5° |
| C9 | C8 | H15 | 108.3° | 109.4° |
| C9 | C8 | H14 | 108.3° | 109.4° |
| C8 | C9 | H16 | 107.7° | 109.4° |
| C8 | C9 | H17 | 107.7° | 109.5° |
| C10 | C9 | H16 | 107.7° | 109.5° |
| C10 | C9 | H17 | 107.7° | 109.5° |
| C11 | C12 | C13 | 109.4° | 109.5° |
| C12 | C11 | H19 | 107.9° | 109.5° |
| C12 | C11 | H18 | 107.9° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C13 | C12 | H20 | 109.5° | 109.5° |
| C13 | C12 | H21 | 109.5° | 109.4° |
| C12 | C13 | H23 | 108.4° | 109.5° |
| C12 | C13 | H22 | 108.4° | 109.4° |
| C13 | C14 | C15 | 115.9° | 109.5° |
| C14 | C13 | H23 | 108.3° | 109.5° |
| C14 | C13 | H22 | 108.3° | 109.5° |
| C13 | C14 | H25 | 107.8° | 109.5° |
| C13 | C14 | H24 | 107.8° | 109.4° |
| C15 | C14 | H25 | 107.8° | 109.5° |
| C15 | C14 | H24 | 107.8° | 109.5° |
| C14 | C15 | H26 | 108.5° | 109.5° |
| C14 | C15 | H27 | 108.5° | 109.5° |
| C16 | C17 | C18 | 120.4° | 119.6° |
| C17 | C16 | H29 | 107.5° | 109.5° |
| C17 | C16 | H28 | 107.5° | 109.5° |
| C17 | C18 | C19 | 119.7° | 119.2° |
| C17 | C18 | H30 | 120.2° | 120.4° |
| C18 | C19 | C20 | 119.5° | 118.4° |
| C19 | C18 | H30 | 120.2° | 120.5° |
| C18 | C19 | H31 | 120.2° | 120.7° |
| C19 | C20 | C21 | 117.6° | 119.2° |
| C20 | C19 | H31 | 120.3° | 120.9° |
| C19 | C20 | H32 | 121.2° | 120.4° |
| C21 | C20 | H32 | 121.2° | 120.4° |
| C20 | C21 | H33 | 117.6° | 119.6° |
| C22 | C23 | C27 | 124.1° | 119.7° |
| C23 | C22 | H34 | 108.0° | 109.5° |
| C23 | C22 | H35 | 108.0° | 109.4° |
| C23 | C27 | C26 | 114.0° | 119.2° |
| C23 | C27 | H39 | 123.0° | 120.4° |
| C24 | C25 | C26 | 118.8° | 119.2° |
| C25 | C24 | H36 | 118.3° | 119.6° |
| C24 | C25 | H37 | 120.6° | 120.4° |
| C25 | C26 | C27 | 122.5° | 118.4° |
| C26 | C25 | H37 | 120.6° | 120.4° |
| C25 | C26 | H38 | 118.8° | 120.8° |
| C27 | C26 | H38 | 118.7° | 120.8° |
| C26 | C27 | H39 | 123.0° | 120.4° |
| H06 | C4 | H07 | 109.5° | 110.7° |
| H11 | C6 | H10 | 109.4° | 109.5° |
| H15 | C8 | H14 | 109.4° | 109.5° |
| H19 | C11 | H18 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H23 | C13 | H22 | 109.4° | 109.4° |
| H25 | C14 | H24 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.4° |
| H29 | C16 | H28 | 109.4° | 109.5° |
| H34 | C22 | H35 | 109.4° | 109.5° |
| H13 | C7 | H12 | 109.4° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 177.2° | 180.0° |
| C1 | N1 | C2 | H01 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 1.8° | 0.0° |
| C1 | N1 | C2 | C5 | 120.0° | 120.0° |
| N1 | C1 | N2 | C3 | 0.6° | 0.0° |
| C1 | N1 | C2 | H02 | 114.2° | 118.3° |
| N1 | C1 | N2 | H03 | 179.5° | 180.0° |
| O1 | C1 | N1 | C2 | 178.4° | 180.0° |
| O1 | C1 | N2 | C3 | 176.9° | 180.0° |
| O1 | C1 | N1 | H01 | 1.6° | 0.0° |
| O1 | C1 | N2 | H03 | 3.1° | 0.0° |
| N2 | C1 | N1 | C2 | 0.9° | 0.0° |
| C1 | N2 | C3 | C2 | 1.6° | 0.0° |
| C1 | N2 | C3 | H03 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 117.4° | 120.2° |
| N2 | C1 | N1 | H01 | 179.1° | 180.0° |
| C1 | N2 | C3 | H04 | 118.6° | 118.3° |
| N1 | C2 | C5 | S1 | 79.4° | 90.3° |
| N1 | C2 | C3 | C5 | 123.4° | 117.9° |
| N1 | C2 | C3 | H02 | 117.2° | 118.6° |
| N1 | C2 | C5 | H02 | 126.3° | 121.8° |
| N1 | C2 | C3 | N2 | 2.0° | 0.0° |
| N1 | C2 | C3 | C4 | 119.9° | 118.0° |
| N1 | C2 | C5 | C6 | 45.0° | 28.1° |
| N1 | C2 | C5 | H09 | 168.9° | 151.4° |
| N1 | C2 | C3 | H04 | 120.1° | 118.5° |
| S1 | C4 | C3 | C2 | 31.1° | 24.7° |
| C4 | S1 | C5 | C2 | 47.4° | 34.6° |
| S1 | C4 | C3 | N2 | 84.7° | 90.2° |
| S1 | C4 | C3 | H06 | 119.0° | 118.4° |
| S1 | C4 | C3 | H07 | 119.0° | 118.5° |
| C4 | S1 | C5 | C6 | 172.0° | 152.9° |
| S1 | C4 | H06 | H07 | 122.8° | 123.3° |
| C4 | S1 | C5 | H09 | 67.0° | 83.7° |
| S1 | C4 | C3 | H04 | 150.8° | 148.2° |
| S1 | C5 | C2 | C3 | 35.4° | 24.5° |
| S1 | C5 | C2 | C6 | 124.5° | 118.4° |
| S1 | C5 | C2 | H09 | 111.6° | 118.3° |
| C5 | S1 | C4 | C3 | 45.5° | 34.7° |
| S1 | C5 | C6 | H09 | 118.7° | 123.4° |
| S1 | C5 | C6 | C7 | 75.4° | 71.7° |
| C5 | S1 | C4 | H06 | 164.6° | 83.6° |
| C5 | S1 | C4 | H07 | 73.5° | 153.2° |
| S1 | C5 | C2 | H02 | 154.3° | 147.9° |
| S1 | C5 | C6 | H11 | 45.1° | 48.3° |
| S1 | C5 | C6 | H10 | 164.1° | 168.4° |
| C3 | C2 | C5 | H02 | 119.0° | 123.5° |
| C2 | C3 | N2 | C4 | 119.0° | 120.2° |
| C2 | C3 | N2 | H04 | 117.0° | 118.4° |
| C2 | C3 | C4 | H04 | 119.7° | 123.5° |
| C3 | C2 | C5 | C6 | 159.8° | 142.9° |
| C2 | C3 | C4 | H06 | 150.2° | 93.7° |
| C2 | C3 | C4 | H07 | 87.9° | 143.2° |
| C3 | C2 | N1 | H01 | 178.2° | 180.0° |
| C3 | C2 | C5 | H09 | 76.3° | 93.8° |
| C2 | C3 | N2 | H03 | 178.4° | 180.0° |
| C5 | C2 | C3 | N2 | 125.3° | 117.9° |
| C5 | C2 | C3 | C4 | 3.5° | 0.1° |
| C2 | C5 | C6 | H09 | 123.8° | 123.3° |
| C2 | C5 | C6 | C7 | 167.1° | 175.0° |
| C5 | C2 | N1 | H01 | 60.0° | 60.0° |
| C2 | C5 | C6 | H11 | 72.4° | 65.0° |
| C2 | C5 | C6 | H10 | 46.6° | 55.0° |
| C5 | C2 | C3 | H04 | 116.6° | 123.6° |
| N2 | C3 | C4 | H04 | 124.5° | 121.6° |
| N2 | C3 | C4 | H06 | 34.3° | 151.4° |
| N2 | C3 | C4 | H07 | 156.2° | 28.3° |
| N2 | C3 | C2 | H02 | 115.3° | 118.6° |
| O2 | C10 | N3 | C9 | 179.3° | 179.9° |
| O2 | C10 | N3 | C11 | 5.1° | 0.1° |
| O2 | C10 | C9 | C8 | 39.6° | 0.0° |
| O2 | C10 | N3 | H05 | 174.9° | 180.0° |
| O2 | C10 | C9 | H16 | 160.7° | 119.9° |
| O2 | C10 | C9 | H17 | 81.4° | 120.0° |
| C3 | C4 | H06 | H07 | 122.8° | 123.2° |
| C4 | C3 | C2 | H02 | 122.9° | 123.5° |
| C4 | C3 | N2 | H03 | 62.6° | 59.8° |
| C10 | N3 | C11 | H05 | 180.0° | 179.9° |
| N3 | C10 | C9 | C8 | 139.7° | 179.9° |
| C10 | N3 | C11 | C12 | 79.0° | 180.0° |
| C10 | N3 | C11 | H19 | 160.1° | 59.9° |
| C10 | N3 | C11 | H18 | 41.9° | 60.0° |
| N3 | C10 | C9 | H16 | 18.6° | 60.0° |
| N3 | C10 | C9 | H17 | 99.3° | 60.0° |
| C11 | N3 | C10 | C9 | 175.6° | 180.0° |
| N3 | C11 | C12 | H19 | 120.9° | 120.0° |
| N3 | C11 | C12 | H18 | 120.9° | 120.0° |
| N3 | C11 | C12 | C13 | 178.1° | 180.0° |
| N3 | C11 | H19 | H18 | 117.1° | 120.0° |
| N3 | C11 | C12 | H20 | 58.1° | 60.0° |
| N3 | C11 | C12 | H21 | 61.9° | 60.1° |
| C15 | N4 | C16 | C22 | 125.3° | 124.0° |
| N4 | C15 | C14 | C13 | 173.2° | 180.0° |
| N4 | C15 | C14 | H26 | 120.5° | 120.0° |
| N4 | C15 | C14 | H27 | 120.6° | 120.0° |
| C15 | N4 | C16 | C17 | 89.9° | 164.4° |
| C15 | N4 | C22 | C23 | 165.6° | 63.5° |
| N4 | C15 | C14 | H25 | 52.3° | 60.0° |
| N4 | C15 | C14 | H24 | 65.9° | 60.0° |
| N4 | C15 | H26 | H27 | 118.3° | 120.0° |
| C15 | N4 | C16 | H29 | 31.2° | 75.6° |
| C15 | N4 | C16 | H28 | 149.0° | 44.4° |
| C15 | N4 | C22 | H34 | 73.5° | 176.5° |
| C15 | N4 | C22 | H35 | 44.8° | 56.4° |
| N4 | C16 | C17 | N5 | 21.3° | 86.0° |
| C16 | N4 | C15 | C14 | 79.6° | 170.0° |
| N4 | C16 | C17 | H29 | 121.1° | 120.0° |
| N4 | C16 | C17 | H28 | 121.1° | 120.0° |
| N4 | C16 | C17 | C18 | 158.3° | 94.4° |
| C16 | N4 | C22 | C23 | 72.3° | 60.5° |
| C16 | N4 | C15 | H26 | 40.9° | 50.0° |
| C16 | N4 | C15 | H27 | 159.8° | 69.9° |
| N4 | C16 | H29 | H28 | 116.5° | 120.0° |
| C16 | N4 | C22 | H34 | 48.5° | 59.5° |
| C16 | N4 | C22 | H35 | 166.8° | 179.6° |
| N4 | C22 | C23 | N6 | 17.7° | 85.8° |
| C22 | N4 | C15 | C14 | 43.8° | 66.0° |
| C22 | N4 | C16 | C17 | 144.7° | 71.6° |
| N4 | C22 | C23 | H34 | 120.9° | 120.0° |
| N4 | C22 | C23 | H35 | 120.9° | 119.9° |
| N4 | C22 | C23 | C27 | 164.7° | 94.4° |
| C22 | N4 | C15 | H26 | 164.3° | 174.0° |
| C22 | N4 | C15 | H27 | 76.8° | 54.0° |
| C22 | N4 | C16 | H29 | 94.1° | 48.4° |
| C22 | N4 | C16 | H28 | 23.6° | 168.4° |
| N4 | C22 | H34 | H35 | 117.4° | 120.1° |
| C5 | C6 | C7 | H11 | 120.5° | 120.1° |
| C5 | C6 | C7 | H10 | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 176.2° | 180.0° |
| C6 | C5 | C2 | H02 | 81.2° | 93.6° |
| C5 | C6 | H11 | H10 | 118.6° | 120.0° |
| C5 | C6 | C7 | H13 | 63.2° | 59.9° |
| C5 | C6 | C7 | H12 | 55.7° | 60.0° |
| N5 | C17 | C16 | C18 | 179.6° | 179.7° |
| N5 | C17 | C18 | C19 | 0.6° | 0.3° |
| C17 | N5 | C21 | C20 | 0.0° | 0.6° |
| N5 | C17 | C16 | H29 | 142.4° | 34.0° |
| N5 | C17 | C16 | H28 | 99.8° | 154.1° |
| N5 | C17 | C18 | H30 | 179.4° | 179.7° |
| C17 | N5 | C21 | H33 | 180.0° | 179.7° |
| C21 | N5 | C17 | C16 | 180.0° | 179.7° |
| C21 | N5 | C17 | C18 | 0.4° | 0.6° |
| N5 | C21 | C20 | C19 | 0.2° | 0.3° |
| N5 | C21 | C20 | H33 | 180.0° | 179.7° |
| N5 | C21 | C20 | H32 | 179.8° | 179.7° |
| C6 | C7 | C8 | H13 | 120.6° | 120.0° |
| C6 | C7 | C8 | H12 | 120.6° | 120.0° |
| C6 | C7 | C8 | C9 | 176.0° | 180.0° |
| C7 | C6 | H11 | H10 | 118.6° | 119.9° |
| C7 | C6 | C5 | H09 | 43.3° | 51.7° |
| C6 | C7 | C8 | H15 | 63.3° | 60.0° |
| C6 | C7 | C8 | H14 | 55.3° | 60.1° |
| C6 | C7 | H13 | H12 | 118.3° | 119.9° |
| N6 | C23 | C22 | C27 | 177.5° | 179.7° |
| C23 | N6 | C24 | C25 | 0.4° | 0.0° |
| N6 | C23 | C27 | C26 | 7.1° | 0.3° |
| N6 | C23 | C22 | H34 | 138.6° | 34.2° |
| N6 | C23 | C22 | H35 | 103.1° | 154.2° |
| C23 | N6 | C24 | H36 | 179.6° | 179.7° |
| N6 | C23 | C27 | H39 | 172.9° | 179.7° |
| C24 | N6 | C23 | C22 | 179.1° | 180.0° |
| C24 | N6 | C23 | C27 | 3.4° | 0.2° |
| N6 | C24 | C25 | H36 | 180.0° | 179.8° |
| N6 | C24 | C25 | C26 | 1.5° | 0.2° |
| N6 | C24 | C25 | H37 | 178.5° | 179.7° |
| C7 | C8 | C9 | H15 | 120.7° | 120.0° |
| C7 | C8 | C9 | H14 | 120.7° | 120.0° |
| C7 | C8 | C9 | C10 | 64.8° | 180.0° |
| C8 | C7 | C6 | H11 | 55.8° | 60.0° |
| C8 | C7 | C6 | H10 | 63.3° | 60.0° |
| C7 | C8 | H15 | H14 | 117.9° | 120.1° |
| C8 | C7 | H13 | H12 | 118.3° | 120.1° |
| C7 | C8 | C9 | H16 | 56.2° | 60.0° |
| C7 | C8 | C9 | H17 | 174.2° | 59.9° |
| C8 | C9 | C10 | H16 | 121.0° | 120.0° |
| C8 | C9 | C10 | H17 | 121.0° | 120.0° |
| C9 | C8 | H15 | H14 | 117.9° | 120.0° |
| C9 | C8 | C7 | H13 | 55.5° | 60.0° |
| C9 | C8 | C7 | H12 | 63.4° | 60.0° |
| C8 | C9 | H16 | H17 | 116.8° | 120.0° |
| C9 | C10 | N3 | H05 | 4.4° | 0.1° |
| C10 | C9 | C8 | H15 | 174.5° | 60.0° |
| C10 | C9 | C8 | H14 | 55.9° | 60.0° |
| C10 | C9 | H16 | H17 | 116.8° | 120.1° |
| C11 | C12 | C13 | H20 | 120.0° | 120.0° |
| C11 | C12 | C13 | H21 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 166.3° | 180.0° |
| C12 | C11 | N3 | H05 | 101.0° | 0.0° |
| C12 | C11 | H19 | H18 | 117.1° | 120.0° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| C11 | C12 | C13 | H23 | 73.0° | 59.9° |
| C11 | C12 | C13 | H22 | 45.6° | 60.0° |
| C12 | C13 | C14 | H23 | 120.7° | 120.1° |
| C12 | C13 | C14 | H22 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 144.0° | 180.0° |
| C13 | C12 | C11 | H19 | 61.0° | 60.0° |
| C13 | C12 | C11 | H18 | 57.1° | 60.0° |
| C13 | C12 | H20 | H21 | 120.1° | 119.9° |
| C12 | C13 | H23 | H22 | 118.0° | 119.9° |
| C12 | C13 | C14 | H25 | 23.0° | 60.0° |
| C12 | C13 | C14 | H24 | 95.1° | 60.0° |
| C13 | C14 | C15 | H25 | 120.9° | 120.0° |
| C13 | C14 | C15 | H24 | 120.9° | 119.9° |
| C14 | C13 | C12 | H20 | 46.3° | 59.9° |
| C14 | C13 | C12 | H21 | 73.7° | 60.0° |
| C14 | C13 | H23 | H22 | 117.9° | 120.0° |
| C13 | C14 | H25 | H24 | 117.1° | 120.0° |
| C13 | C14 | C15 | H26 | 52.7° | 60.0° |
| C13 | C14 | C15 | H27 | 66.2° | 60.0° |
| C15 | C14 | C13 | H23 | 95.3° | 60.0° |
| C15 | C14 | C13 | H22 | 23.3° | 60.0° |
| C15 | C14 | H25 | H24 | 117.1° | 120.1° |
| C14 | C15 | H26 | H27 | 118.3° | 120.1° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C17 | C16 | H29 | H28 | 116.5° | 120.0° |
| C16 | C17 | C18 | H30 | 0.1° | 0.0° |
| C17 | C18 | C19 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | H29 | 37.2° | 145.6° |
| C18 | C17 | C16 | H28 | 80.6° | 25.6° |
| C17 | C18 | C19 | H31 | 179.7° | 180.0° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H32 | 179.9° | 180.0° |
| C19 | C20 | C21 | H32 | 180.0° | 180.0° |
| C20 | C19 | C18 | H30 | 179.7° | 180.0° |
| C19 | C20 | C21 | H33 | 179.8° | 180.0° |
| C21 | C20 | C19 | H31 | 179.9° | 180.0° |
| C22 | C23 | C27 | C26 | 175.7° | 180.0° |
| C23 | C22 | H34 | H35 | 117.4° | 120.0° |
| C22 | C23 | C27 | H39 | 4.3° | 0.0° |
| C23 | C27 | C26 | C25 | 8.1° | 0.0° |
| C23 | C27 | C26 | H39 | 180.0° | 180.0° |
| C27 | C23 | C22 | H34 | 43.9° | 145.5° |
| C27 | C23 | C22 | H35 | 74.4° | 25.5° |
| C23 | C27 | C26 | H38 | 171.9° | 179.8° |
| C24 | C25 | C26 | H37 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 5.8° | 0.2° |
| C24 | C25 | C26 | H38 | 174.2° | 180.0° |
| C25 | C26 | C27 | H38 | 180.0° | 179.9° |
| C26 | C25 | C24 | H36 | 178.5° | 180.0° |
| C25 | C26 | C27 | H39 | 171.9° | 179.9° |
| C27 | C26 | C25 | H37 | 174.2° | 179.8° |
| H06 | C4 | C3 | H04 | 90.2° | 29.8° |
| H07 | C4 | C3 | H04 | 31.8° | 93.3° |
| H05 | N3 | C11 | H19 | 19.9° | 120.0° |
| H05 | N3 | C11 | H18 | 138.1° | 120.1° |
| H02 | C2 | N1 | H01 | 65.8° | 61.7° |
| H02 | C2 | C5 | H09 | 42.7° | 29.6° |
| H02 | C2 | C3 | H04 | 2.9° | 0.0° |
| H11 | C6 | C5 | H09 | 163.8° | 171.8° |
| H11 | C6 | C7 | H13 | 176.3° | NaN° |
| H11 | C6 | C7 | H12 | 64.8° | 60.1° |
| H10 | C6 | C5 | H09 | 77.1° | 68.2° |
| H10 | C6 | C7 | H13 | 57.3° | 60.0° |
| H10 | C6 | C7 | H12 | 176.1° | 180.0° |
| H15 | C8 | C7 | H13 | 176.2° | 180.0° |
| H15 | C8 | C7 | H12 | 57.3° | 60.0° |
| H15 | C8 | C9 | H16 | 64.5° | 180.0° |
| H15 | C8 | C9 | H17 | 53.5° | 60.0° |
| H14 | C8 | C7 | H13 | 65.2° | 60.0° |
| H14 | C8 | C7 | H12 | 175.9° | 180.0° |
| H14 | C8 | C9 | H16 | 176.9° | 60.0° |
| H14 | C8 | C9 | H17 | 65.1° | 180.0° |
| H19 | C11 | C12 | H20 | 179.0° | 180.0° |
| H19 | C11 | C12 | H21 | 59.0° | 60.0° |
| H18 | C11 | C12 | H20 | 62.8° | 60.0° |
| H18 | C11 | C12 | H21 | 177.1° | 180.0° |
| H20 | C12 | C13 | H23 | 167.0° | 180.0° |
| H20 | C12 | C13 | H22 | 74.3° | 60.1° |
| H21 | C12 | C13 | H23 | 46.9° | 60.0° |
| H21 | C12 | C13 | H22 | 165.6° | 180.0° |
| H23 | C13 | C14 | H25 | 143.7° | 179.9° |
| H23 | C13 | C14 | H24 | 25.6° | 60.0° |
| H22 | C13 | C14 | H25 | 97.6° | 60.0° |
| H22 | C13 | C14 | H24 | 144.2° | 180.0° |
| H25 | C14 | C15 | H26 | 68.3° | 180.0° |
| H25 | C14 | C15 | H27 | 172.8° | 60.0° |
| H24 | C14 | C15 | H26 | 173.6° | 59.9° |
| H24 | C14 | C15 | H27 | 54.7° | 180.0° |
| H30 | C18 | C19 | H31 | 0.3° | 0.0° |
| H31 | C19 | C20 | H32 | 0.1° | 0.0° |
| H32 | C20 | C21 | H33 | 0.2° | 0.0° |
| H36 | C24 | C25 | H37 | 1.5° | 0.0° |
| H37 | C25 | C26 | H38 | 5.8° | 0.1° |
| H38 | C26 | C27 | H39 | 8.1° | 0.2° |
| H04 | C3 | N2 | H03 | 61.4° | 61.6° |
