N97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C25 | doub | 1.32Å | 1.32Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | N24 | sing | 1.31Å | 1.31Å | Aromatic |
| N31 | C27 | sing | 1.39Å | 1.39Å | |
| N31 | C32 | sing | 1.47Å | 1.47Å | |
| C34 | C32 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | doub | 1.41Å | 1.42Å | Aromatic |
| C39 | C32 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | N40 | sing | 1.47Å | 1.47Å | |
| N24 | C23 | doub | 1.35Å | 1.35Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | S29 | sing | 1.75Å | 1.76Å | Aromatic |
| C23 | C22 | sing | 1.46Å | 1.45Å | Aromatic |
| S29 | C30 | sing | 1.70Å | 1.69Å | Aromatic |
| C22 | C20 | sing | 1.47Å | 1.46Å | |
| C22 | C30 | doub | 1.35Å | 1.35Å | Aromatic |
| N19 | C14 | sing | 1.40Å | 1.40Å | |
| N19 | C20 | sing | 1.35Å | 1.34Å | |
| F41 | C13 | sing | 1.35Å | 1.35Å | |
| F7 | C5 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| CL18 | C15 | sing | 1.74Å | 1.73Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.39Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N11 | S8 | sing | 1.66Å | 1.64Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.42Å | |
| S8 | C4 | sing | 1.76Å | 1.76Å | |
| S8 | O10 | doub | 1.42Å | 1.42Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | F42 | sing | 1.35Å | 1.35Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C30 | H7 | sing | 1.08Å | 1.08Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| N31 | H20 | sing | 0.97Å | 1.00Å | |
| N40 | H21 | sing | 1.01Å | 1.00Å | |
| N40 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N26 | C27 | 122.0° | 120.8° |
| N26 | C25 | N24 | 122.6° | 122.4° |
| N26 | C25 | H5 | 118.7° | 118.8° |
| N26 | C27 | N31 | 116.6° | 120.5° |
| N26 | C27 | C28 | 117.8° | 118.9° |
| C25 | N24 | C23 | 120.4° | 121.1° |
| N24 | C25 | H5 | 118.7° | 118.8° |
| C27 | N31 | C32 | 126.6° | 120.0° |
| N31 | C27 | C28 | 125.5° | 120.5° |
| C27 | N31 | H20 | 105.0° | 120.0° |
| N31 | C32 | C34 | 109.6° | 109.5° |
| N31 | C32 | C39 | 109.9° | 109.4° |
| N31 | C32 | H8 | 109.6° | 109.5° |
| C32 | N31 | H20 | 105.0° | 120.0° |
| C32 | C34 | C35 | 110.4° | 109.5° |
| C34 | C32 | C39 | 110.2° | 109.4° |
| C34 | C32 | H8 | 108.8° | 109.5° |
| C32 | C34 | H9 | 109.2° | 109.5° |
| C32 | C34 | H10 | 109.3° | 109.4° |
| C34 | C35 | C36 | 109.7° | 109.5° |
| C35 | C34 | H9 | 109.3° | 109.5° |
| C35 | C34 | H10 | 109.2° | 109.5° |
| C34 | C35 | H11 | 109.4° | 109.5° |
| C34 | C35 | H12 | 109.4° | 109.5° |
| C27 | C28 | C23 | 118.1° | 118.5° |
| C27 | C28 | S29 | 133.5° | 131.4° |
| C32 | C39 | C38 | 109.6° | 109.4° |
| C39 | C32 | H8 | 108.8° | 109.5° |
| C32 | C39 | H16 | 109.4° | 109.5° |
| C32 | C39 | H17 | 109.4° | 109.5° |
| C39 | C38 | C36 | 108.3° | 109.5° |
| C39 | C38 | H14 | 109.8° | 109.4° |
| C39 | C38 | H15 | 109.8° | 109.5° |
| C38 | C39 | H16 | 109.4° | 109.5° |
| C38 | C39 | H17 | 109.4° | 109.5° |
| C35 | C36 | C38 | 109.4° | 109.5° |
| C35 | C36 | N40 | 109.9° | 109.5° |
| C36 | C35 | H11 | 109.4° | 109.5° |
| C36 | C35 | H12 | 109.4° | 109.4° |
| C35 | C36 | H13 | 109.2° | 109.4° |
| C38 | C36 | N40 | 109.1° | 109.5° |
| C38 | C36 | H13 | 109.2° | 109.5° |
| C36 | C38 | H14 | 109.7° | 109.5° |
| C36 | C38 | H15 | 109.7° | 109.5° |
| N40 | C36 | H13 | 110.0° | 109.5° |
| C36 | N40 | H21 | 109.5° | 110.9° |
| C36 | N40 | H22 | 109.5° | 111.0° |
| N24 | C23 | C28 | 119.1° | 118.3° |
| N24 | C23 | C22 | 129.1° | 130.5° |
| C23 | C28 | S29 | 108.5° | 110.1° |
| C28 | C23 | C22 | 111.8° | 111.2° |
| C28 | S29 | C30 | 94.0° | 93.0° |
| C23 | C22 | C20 | 124.1° | 123.1° |
| C23 | C22 | C30 | 114.0° | 113.7° |
| S29 | C30 | C22 | 111.7° | 112.0° |
| S29 | C30 | H7 | 124.2° | 124.0° |
| C20 | C22 | C30 | 121.8° | 123.2° |
| C22 | C20 | N19 | 118.4° | 120.0° |
| C22 | C20 | O21 | 119.9° | 120.0° |
| C22 | C30 | H7 | 124.2° | 124.0° |
| C14 | N19 | C20 | 124.0° | 120.0° |
| N19 | C14 | C13 | 123.6° | 120.1° |
| N19 | C14 | C15 | 116.9° | 120.0° |
| C14 | N19 | H19 | 118.0° | 120.1° |
| N19 | C20 | O21 | 121.6° | 120.0° |
| C20 | N19 | H19 | 118.0° | 120.0° |
| F41 | C13 | C14 | 120.1° | 120.1° |
| F41 | C13 | C12 | 120.9° | 120.0° |
| F7 | C5 | C6 | 119.7° | 120.0° |
| F7 | C5 | C4 | 120.0° | 120.0° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C14 | C13 | C12 | 119.1° | 119.9° |
| C14 | C15 | CL18 | 116.8° | 120.0° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C13 | C12 | N11 | 118.7° | 120.1° |
| C13 | C12 | C17 | 121.2° | 119.9° |
| CL18 | C15 | C16 | 121.5° | 119.9° |
| C15 | C16 | C17 | 119.2° | 120.2° |
| C15 | C16 | H4 | 120.4° | 119.9° |
| N11 | C12 | C17 | 120.1° | 120.0° |
| C12 | N11 | S8 | 118.2° | 120.0° |
| C12 | N11 | H18 | 107.2° | 120.0° |
| C12 | C17 | C16 | 119.4° | 120.1° |
| C12 | C17 | H2 | 120.3° | 119.9° |
| N11 | S8 | O9 | 108.3° | 106.4° |
| N11 | S8 | C4 | 103.7° | 107.2° |
| N11 | S8 | O10 | 107.5° | 106.4° |
| S8 | N11 | H18 | 107.2° | 120.0° |
| C16 | C17 | H2 | 120.3° | 120.0° |
| C17 | C16 | H4 | 120.4° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.0° |
| C5 | C6 | H1 | 120.4° | 120.0° |
| C5 | C4 | S8 | 119.1° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C6 | C1 | C2 | 120.7° | 120.0° |
| C1 | C6 | H1 | 120.5° | 120.0° |
| C6 | C1 | H3 | 119.7° | 120.0° |
| O9 | S8 | C4 | 107.5° | 106.4° |
| O9 | S8 | O10 | 122.5° | 123.2° |
| C4 | S8 | O10 | 105.8° | 106.4° |
| S8 | C4 | C3 | 120.2° | 120.0° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C4 | C3 | H6 | 120.5° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | F42 | 119.7° | 120.0° |
| C2 | C1 | H3 | 119.6° | 120.0° |
| C3 | C2 | F42 | 120.0° | 120.0° |
| C2 | C3 | H6 | 120.5° | 120.0° |
| H9 | C34 | H10 | 109.5° | 109.4° |
| H11 | C35 | H12 | 109.5° | 109.5° |
| H14 | C38 | H15 | 109.5° | 109.5° |
| H16 | C39 | H17 | 109.5° | 109.5° |
| H21 | N40 | H22 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | N24 | H5 | 180.0° | 179.9° |
| C25 | N26 | C27 | N31 | 179.4° | 180.0° |
| C25 | N26 | C27 | C28 | 0.5° | 0.0° |
| N26 | C25 | N24 | C23 | 0.6° | 0.1° |
| C27 | N26 | C25 | N24 | 0.8° | 0.0° |
| N26 | C27 | N31 | C28 | 178.8° | 179.9° |
| N26 | C27 | N31 | C32 | 179.6° | 0.0° |
| N26 | C27 | C28 | C23 | 0.0° | 0.1° |
| N26 | C27 | C28 | S29 | 179.7° | 179.8° |
| C27 | N26 | C25 | H5 | 179.2° | 179.9° |
| N26 | C27 | N31 | H20 | 57.3° | 179.9° |
| C25 | N24 | C23 | C28 | 0.1° | 0.0° |
| C25 | N24 | C23 | C22 | 179.5° | 180.0° |
| C27 | N31 | C32 | H20 | 122.3° | 180.0° |
| C27 | N31 | C32 | C34 | 83.0° | 155.0° |
| C27 | N31 | C32 | C39 | 155.8° | 85.0° |
| N31 | C27 | C28 | C23 | 178.8° | 180.0° |
| N31 | C27 | C28 | S29 | 0.9° | 0.1° |
| C27 | N31 | C32 | H8 | 36.3° | 35.0° |
| N31 | C32 | C34 | C39 | 121.0° | 120.0° |
| N31 | C32 | C34 | H8 | 119.8° | 120.0° |
| N31 | C32 | C34 | C35 | 177.7° | 180.0° |
| C32 | N31 | C27 | C28 | 0.8° | 180.0° |
| N31 | C32 | C39 | H8 | 120.0° | 120.0° |
| N31 | C32 | C39 | C38 | 179.8° | 180.0° |
| N31 | C32 | C34 | H9 | 57.6° | 59.9° |
| N31 | C32 | C34 | H10 | 62.1° | 59.9° |
| N31 | C32 | C39 | H16 | 60.2° | 60.0° |
| N31 | C32 | C39 | H17 | 59.7° | 60.0° |
| C32 | C34 | C35 | H9 | 120.1° | 120.0° |
| C32 | C34 | C35 | H10 | 120.1° | 120.0° |
| C34 | C32 | C39 | H8 | 119.1° | 120.0° |
| C34 | C32 | C39 | C38 | 58.9° | 60.0° |
| C32 | C34 | C35 | C36 | 57.5° | 60.0° |
| C32 | C34 | H9 | H10 | 119.6° | 119.9° |
| C32 | C34 | C35 | H11 | 177.5° | 180.0° |
| C32 | C34 | C35 | H12 | 62.6° | 59.9° |
| C34 | C32 | C39 | H16 | 178.9° | 180.0° |
| C34 | C32 | C39 | H17 | 61.1° | 60.0° |
| C34 | C32 | N31 | H20 | 154.7° | 25.0° |
| C35 | C34 | C32 | C39 | 56.7° | 60.0° |
| C34 | C35 | C36 | H11 | 120.0° | 120.1° |
| C34 | C35 | C36 | H12 | 120.0° | 120.0° |
| C34 | C35 | C36 | C38 | 60.6° | 60.0° |
| C34 | C35 | C36 | N40 | 179.7° | 180.0° |
| C35 | C34 | C32 | H8 | 62.4° | 60.0° |
| C35 | C34 | H9 | H10 | 119.6° | 120.0° |
| C34 | C35 | H11 | H12 | 119.9° | 120.0° |
| C34 | C35 | C36 | H13 | 58.9° | 60.0° |
| C27 | C28 | C23 | N24 | 0.2° | 0.0° |
| C27 | C28 | C23 | S29 | 179.8° | 179.9° |
| C27 | C28 | C23 | C22 | 179.8° | 179.9° |
| C27 | C28 | S29 | C30 | 179.7° | 179.9° |
| C28 | C27 | N31 | H20 | 121.5° | 0.0° |
| C32 | C39 | C38 | H16 | 120.0° | 120.0° |
| C32 | C39 | C38 | H17 | 120.0° | 120.0° |
| C32 | C39 | C38 | C36 | 61.5° | 60.0° |
| C39 | C32 | C34 | H9 | 63.4° | 60.1° |
| C39 | C32 | C34 | H10 | 176.9° | 179.9° |
| C32 | C39 | C38 | H14 | 58.3° | 180.0° |
| C32 | C39 | C38 | H15 | 178.6° | 60.0° |
| C32 | C39 | H16 | H17 | 119.9° | 120.0° |
| C39 | C32 | N31 | H20 | 33.5° | 95.0° |
| C39 | C38 | C36 | C35 | 62.4° | 60.0° |
| C39 | C38 | C36 | H14 | 119.8° | 120.0° |
| C39 | C38 | C36 | H15 | 119.8° | 120.0° |
| C39 | C38 | C36 | N40 | 177.4° | 180.0° |
| C38 | C39 | C32 | H8 | 60.2° | 60.0° |
| C39 | C38 | C36 | H13 | 57.1° | 60.0° |
| C39 | C38 | H14 | H15 | 120.5° | 120.0° |
| C38 | C39 | H16 | H17 | 120.0° | 120.0° |
| C35 | C36 | C38 | N40 | 120.2° | 120.0° |
| C35 | C36 | C38 | H13 | 119.5° | 119.9° |
| C35 | C36 | N40 | H13 | 120.3° | 119.9° |
| C36 | C35 | C34 | H9 | 62.7° | 60.0° |
| C36 | C35 | C34 | H10 | 177.6° | 180.0° |
| C36 | C35 | H11 | H12 | 119.9° | 119.9° |
| C35 | C36 | C38 | H14 | 57.4° | 180.0° |
| C35 | C36 | C38 | H15 | 177.7° | 60.0° |
| C35 | C36 | N40 | H21 | 180.0° | 180.0° |
| C35 | C36 | N40 | H22 | 60.0° | 56.1° |
| C38 | C36 | N40 | H13 | 119.8° | 120.0° |
| C38 | C36 | C35 | H11 | 179.4° | 180.0° |
| C38 | C36 | C35 | H12 | 59.4° | 60.0° |
| C36 | C38 | H14 | H15 | 120.5° | 120.0° |
| C36 | C38 | C39 | H16 | 178.5° | 180.0° |
| C36 | C38 | C39 | H17 | 58.5° | 60.0° |
| C38 | C36 | N40 | H21 | 60.1° | 60.0° |
| C38 | C36 | N40 | H22 | 179.9° | 176.1° |
| N40 | C36 | C35 | H11 | 59.7° | 59.9° |
| N40 | C36 | C35 | H12 | 60.3° | 60.0° |
| N40 | C36 | C38 | H14 | 62.8° | 60.0° |
| N40 | C36 | C38 | H15 | 57.6° | 60.0° |
| C36 | N40 | H21 | H22 | 120.0° | 123.9° |
| N24 | C23 | C28 | C22 | 179.7° | 180.0° |
| N24 | C23 | C28 | S29 | 179.9° | 179.9° |
| N24 | C23 | C22 | C20 | 2.4° | 0.1° |
| N24 | C23 | C22 | C30 | 179.6° | 179.7° |
| C23 | N24 | C25 | H5 | 179.4° | 180.0° |
| C23 | C28 | S29 | C30 | 0.0° | 0.0° |
| C28 | C23 | C22 | C20 | 177.9° | 180.0° |
| C28 | C23 | C22 | C30 | 0.7° | 0.3° |
| S29 | C28 | C23 | C22 | 0.4° | 0.1° |
| C28 | S29 | C30 | C22 | 0.4° | 0.2° |
| C28 | S29 | C30 | H7 | 179.6° | 179.8° |
| C23 | C22 | C30 | S29 | 0.7° | 0.3° |
| C23 | C22 | C20 | C30 | 177.0° | 179.6° |
| C23 | C22 | C20 | N19 | 17.4° | 179.7° |
| C23 | C22 | C20 | O21 | 165.3° | 0.3° |
| C23 | C22 | C30 | H7 | 179.3° | 179.7° |
| S29 | C30 | C22 | C20 | 178.0° | 180.0° |
| S29 | C30 | C22 | H7 | 180.0° | 180.0° |
| C22 | C20 | N19 | C14 | 177.6° | 174.8° |
| C22 | C20 | N19 | O21 | 177.2° | 180.0° |
| C20 | C22 | C30 | H7 | 2.0° | 0.0° |
| C22 | C20 | N19 | H19 | 2.4° | 5.3° |
| C30 | C22 | C20 | N19 | 159.5° | 0.1° |
| C30 | C22 | C20 | O21 | 17.7° | 179.9° |
| C14 | N19 | C20 | H19 | 180.0° | 180.0° |
| N19 | C14 | C13 | F41 | 0.5° | 0.2° |
| N19 | C14 | C13 | C15 | 179.8° | 179.9° |
| C14 | N19 | C20 | O21 | 0.3° | 5.2° |
| N19 | C14 | C13 | C12 | 179.9° | 180.0° |
| N19 | C14 | C15 | CL18 | 0.1° | 0.0° |
| N19 | C14 | C15 | C16 | 179.7° | 180.0° |
| C20 | N19 | C14 | C13 | 50.4° | 46.5° |
| C20 | N19 | C14 | C15 | 129.8° | 133.6° |
| F41 | C13 | C14 | C12 | 179.7° | 179.8° |
| F41 | C13 | C14 | C15 | 179.7° | 179.7° |
| F41 | C13 | C12 | N11 | 0.0° | 0.3° |
| F41 | C13 | C12 | C17 | 179.5° | 179.8° |
| F7 | C5 | C6 | C4 | 180.0° | 180.0° |
| F7 | C5 | C6 | C1 | 179.9° | 180.0° |
| F7 | C5 | C4 | S8 | 0.0° | 0.3° |
| F7 | C5 | C4 | C3 | 180.0° | 180.0° |
| F7 | C5 | C6 | H1 | 0.0° | 0.1° |
| C13 | C14 | C15 | CL18 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | N11 | 179.6° | 179.9° |
| C14 | C13 | C12 | C17 | 0.2° | 0.0° |
| C13 | C14 | N19 | H19 | 129.6° | 133.5° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | CL18 | C16 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C14 | C15 | C16 | H4 | 179.4° | 180.0° |
| C15 | C14 | N19 | H19 | 50.2° | 46.4° |
| O21 | C20 | N19 | H19 | 179.6° | 174.7° |
| C13 | C12 | N11 | C17 | 179.5° | 179.9° |
| C13 | C12 | N11 | S8 | 111.9° | 115.5° |
| C13 | C12 | C17 | C16 | 0.6° | 0.0° |
| C13 | C12 | C17 | H2 | 179.4° | 180.0° |
| C13 | C12 | N11 | H18 | 9.4° | 64.5° |
| CL18 | C15 | C16 | C17 | 179.9° | 180.0° |
| CL18 | C15 | C16 | H4 | 0.2° | 0.0° |
| C15 | C16 | C17 | C12 | 0.8° | 0.0° |
| C15 | C16 | C17 | H4 | 180.0° | 180.0° |
| C15 | C16 | C17 | H2 | 179.2° | 180.0° |
| C12 | N11 | S8 | H18 | 121.2° | 180.0° |
| N11 | C12 | C17 | C16 | 179.9° | 180.0° |
| C12 | N11 | S8 | O9 | 152.3° | 178.6° |
| C12 | N11 | S8 | C4 | 93.6° | 65.0° |
| C12 | N11 | S8 | O10 | 18.1° | 48.5° |
| N11 | C12 | C17 | H2 | 0.0° | 0.1° |
| C17 | C12 | N11 | S8 | 67.6° | 64.5° |
| C12 | C17 | C16 | H2 | 180.0° | 179.9° |
| C12 | C17 | C16 | H4 | 179.2° | 180.0° |
| C17 | C12 | N11 | H18 | 171.1° | 115.5° |
| N11 | S8 | C4 | C5 | 24.4° | 64.7° |
| N11 | S8 | O9 | C4 | 111.5° | 114.1° |
| N11 | S8 | O9 | O10 | 125.8° | 122.9° |
| N11 | S8 | C4 | O10 | 113.0° | 113.5° |
| N11 | S8 | C4 | C3 | 155.6° | 115.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | S8 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | C4 | S8 | O9 | 90.1° | 178.2° |
| C5 | C4 | S8 | C3 | 180.0° | 179.7° |
| C5 | C4 | S8 | O10 | 137.4° | 48.8° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | H3 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | F42 | 179.7° | 180.0° |
| O9 | S8 | C4 | O10 | 132.5° | 132.9° |
| O9 | S8 | C4 | C3 | 89.9° | 1.4° |
| O9 | S8 | N11 | H18 | 31.1° | 1.4° |
| S8 | C4 | C3 | C2 | 179.8° | 179.7° |
| S8 | C4 | C3 | H6 | 0.2° | 0.3° |
| C4 | S8 | N11 | H18 | 145.1° | 115.0° |
| O10 | S8 | C4 | C3 | 42.6° | 131.5° |
| O10 | S8 | N11 | H18 | 103.1° | 131.5° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | F42 | 179.8° | 180.0° |
| C1 | C2 | C3 | F42 | 179.5° | 180.0° |
| C2 | C1 | C6 | H1 | 179.9° | 179.9° |
| C1 | C2 | C3 | H6 | 179.8° | 180.0° |
| C3 | C2 | C1 | H3 | 179.8° | 179.9° |
| F42 | C2 | C1 | H3 | 0.3° | 0.1° |
| F42 | C2 | C3 | H6 | 0.3° | 0.0° |
| H1 | C6 | C1 | H3 | 0.0° | 0.0° |
| H2 | C17 | C16 | H4 | 0.8° | 0.0° |
| H8 | C32 | C34 | H9 | 177.4° | 179.9° |
| H8 | C32 | C34 | H10 | 57.7° | 60.1° |
| H8 | C32 | C39 | H16 | 59.8° | 60.0° |
| H8 | C32 | C39 | H17 | 179.7° | 180.0° |
| H8 | C32 | N31 | H20 | 86.0° | 145.0° |
| H9 | C34 | C35 | H11 | 57.3° | 60.0° |
| H9 | C34 | C35 | H12 | 177.3° | 180.0° |
| H10 | C34 | C35 | H11 | 62.4° | 60.0° |
| H10 | C34 | C35 | H12 | 57.6° | 60.1° |
| H11 | C35 | C36 | H13 | 61.1° | 60.0° |
| H12 | C35 | C36 | H13 | 179.0° | 180.0° |
| H13 | C36 | C38 | H14 | 176.9° | 60.0° |
| H13 | C36 | C38 | H15 | 62.8° | 180.0° |
| H13 | C36 | N40 | H21 | 59.7° | 60.0° |
| H13 | C36 | N40 | H22 | 60.3° | 63.9° |
| H14 | C38 | C39 | H16 | 61.7° | 60.0° |
| H14 | C38 | C39 | H17 | 178.3° | 60.0° |
| H15 | C38 | C39 | H16 | 58.7° | 60.0° |
| H15 | C38 | C39 | H17 | 61.3° | 180.0° |
