JL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C9 | sing | 1.34Å | 1.34Å | Aromatic |
| S5 | C9 | sing | 1.76Å | 1.70Å | Aromatic |
| S5 | C6 | sing | 1.75Å | 1.70Å | Aromatic |
| C22 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.33Å | 1.38Å | Aromatic |
| N1 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.39Å | Aromatic |
| C8 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C23 | sing | 1.48Å | 1.48Å | |
| C4 | O11 | sing | 1.35Å | 1.35Å | |
| O16 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | O15 | sing | 1.34Å | 1.23Å | |
| C14 | C12 | sing | 1.51Å | 1.54Å | |
| C23 | C28 | doub | 1.39Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.45Å | |
| C28 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | N32 | sing | 1.47Å | 1.53Å | |
| C29 | C24 | sing | 1.51Å | 1.52Å | |
| C35 | N36 | sing | 1.47Å | 1.46Å | |
| C24 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| N36 | C39 | sing | 1.47Å | 1.47Å | |
| N36 | C37 | sing | 1.47Å | 1.45Å | |
| C26 | N32 | sing | 1.40Å | 1.40Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N32 | C38 | sing | 1.47Å | 1.51Å | |
| C13 | C17 | sing | 1.51Å | 1.54Å | |
| C27 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C27 | CL | sing | 1.74Å | 1.73Å | |
| C25 | O30 | sing | 1.36Å | 1.33Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C17 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C39 | H13 | sing | 1.09Å | 1.10Å | |
| C39 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| O30 | H20 | sing | 0.97Å | 0.95Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| O15 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C9 | 119.6° | 121.0° |
| N3 | C2 | N1 | 122.3° | 122.2° |
| N3 | C2 | H1 | 118.9° | 118.9° |
| N3 | C9 | S5 | 128.0° | 131.1° |
| N3 | C9 | C8 | 119.9° | 119.1° |
| C9 | S5 | C6 | 91.4° | 92.4° |
| S5 | C9 | C8 | 112.1° | 109.8° |
| S5 | C6 | C10 | 123.2° | 124.3° |
| S5 | C6 | C7 | 112.2° | 111.3° |
| C22 | C10 | C6 | 108.2° | 109.4° |
| C22 | C10 | H5 | 109.8° | 109.5° |
| C22 | C10 | H6 | 109.8° | 109.5° |
| C10 | C22 | H24 | 109.5° | 109.4° |
| C10 | C22 | H25 | 109.5° | 109.4° |
| C10 | C22 | H26 | 109.5° | 109.5° |
| C2 | N1 | C4 | 119.9° | 121.1° |
| N1 | C2 | H1 | 118.9° | 118.9° |
| C9 | C8 | C7 | 112.0° | 112.1° |
| C9 | C8 | C4 | 118.5° | 117.6° |
| C10 | C6 | C7 | 124.5° | 124.4° |
| C6 | C10 | H5 | 109.8° | 109.5° |
| C6 | C10 | H6 | 109.8° | 109.5° |
| C6 | C7 | C8 | 112.4° | 114.4° |
| C6 | C7 | C23 | 120.0° | 122.8° |
| N1 | C4 | C8 | 119.8° | 119.0° |
| N1 | C4 | O11 | 120.1° | 120.5° |
| C7 | C8 | C4 | 129.6° | 130.3° |
| C8 | C7 | C23 | 127.7° | 122.8° |
| C8 | C4 | O11 | 120.1° | 120.5° |
| C7 | C23 | C28 | 117.9° | 120.1° |
| C7 | C23 | C24 | 123.0° | 120.0° |
| C4 | O11 | C12 | 116.2° | 117.0° |
| O16 | C14 | O15 | 120.5° | 120.0° |
| O16 | C14 | C12 | 116.8° | 120.0° |
| O15 | C14 | C12 | 122.6° | 120.0° |
| C14 | O15 | H27 | 109.5° | 117.0° |
| C14 | C12 | O11 | 111.1° | 109.5° |
| C14 | C12 | C13 | 111.9° | 109.5° |
| C14 | C12 | H2 | 108.2° | 109.5° |
| C28 | C23 | C24 | 119.1° | 119.9° |
| C23 | C28 | C26 | 122.2° | 119.9° |
| C23 | C28 | H19 | 118.9° | 120.0° |
| C23 | C24 | C29 | 120.9° | 120.0° |
| C23 | C24 | C27 | 119.0° | 120.0° |
| O11 | C12 | C13 | 107.5° | 109.5° |
| O11 | C12 | H2 | 109.4° | 109.4° |
| C28 | C26 | N32 | 115.4° | 120.0° |
| C28 | C26 | C25 | 118.8° | 119.9° |
| C26 | C28 | H19 | 118.9° | 120.1° |
| C12 | C13 | C17 | 111.4° | 109.5° |
| C13 | C12 | H2 | 108.7° | 109.5° |
| C12 | C13 | H3 | 109.0° | 109.5° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| C35 | C34 | N32 | 111.6° | 109.3° |
| C34 | C35 | N36 | 109.6° | 109.4° |
| C35 | C34 | H7 | 108.9° | 109.5° |
| C35 | C34 | H8 | 108.9° | 109.5° |
| C34 | C35 | H9 | 109.5° | 109.5° |
| C34 | C35 | H10 | 109.4° | 109.5° |
| C34 | N32 | C26 | 118.7° | 111.0° |
| C34 | N32 | C38 | 121.0° | 110.9° |
| N32 | C34 | H7 | 109.0° | 109.4° |
| N32 | C34 | H8 | 108.9° | 109.5° |
| C29 | C24 | C27 | 120.1° | 120.0° |
| C24 | C29 | H21 | 109.5° | 109.5° |
| C24 | C29 | H22 | 109.4° | 109.5° |
| C24 | C29 | H23 | 109.5° | 109.5° |
| C35 | N36 | C39 | 110.4° | 111.0° |
| C35 | N36 | C37 | 108.1° | 110.9° |
| N36 | C35 | H9 | 109.4° | 109.5° |
| N36 | C35 | H10 | 109.5° | 109.5° |
| C24 | C27 | C25 | 121.4° | 120.2° |
| C24 | C27 | CL | 122.1° | 119.9° |
| C39 | N36 | C37 | 109.2° | 111.0° |
| N36 | C39 | H12 | 109.5° | 109.5° |
| N36 | C39 | H13 | 109.5° | 109.5° |
| N36 | C39 | H14 | 109.4° | 109.4° |
| N36 | C37 | C38 | 109.3° | 109.3° |
| N36 | C37 | H15 | 109.5° | 109.5° |
| N36 | C37 | H16 | 109.5° | 109.5° |
| N32 | C26 | C25 | 125.7° | 120.0° |
| C26 | N32 | C38 | 118.4° | 111.0° |
| C26 | C25 | C27 | 119.5° | 120.1° |
| C26 | C25 | O30 | 124.0° | 119.9° |
| N32 | C38 | C37 | 111.1° | 109.4° |
| N32 | C38 | H17 | 109.1° | 109.6° |
| N32 | C38 | H18 | 109.1° | 109.5° |
| C13 | C17 | C33 | 121.2° | 120.0° |
| C13 | C17 | C18 | 119.4° | 120.0° |
| C17 | C13 | H3 | 109.0° | 109.4° |
| C17 | C13 | H4 | 109.0° | 109.5° |
| C25 | C27 | CL | 116.5° | 119.9° |
| C27 | C25 | O30 | 116.5° | 119.9° |
| C25 | O30 | H20 | 109.5° | 113.9° |
| C38 | C37 | H15 | 109.5° | 109.5° |
| C38 | C37 | H16 | 109.5° | 109.5° |
| C37 | C38 | H17 | 109.1° | 109.5° |
| C37 | C38 | H18 | 109.1° | 109.4° |
| C33 | C17 | C18 | 119.4° | 120.0° |
| C17 | C33 | C20 | 121.8° | 120.0° |
| C17 | C33 | H32 | 119.1° | 120.0° |
| C17 | C18 | C21 | 119.0° | 120.0° |
| C17 | C18 | H28 | 120.5° | 120.0° |
| C33 | C20 | C19 | 118.2° | 120.0° |
| C33 | C20 | H31 | 120.9° | 120.0° |
| C20 | C33 | H32 | 119.2° | 120.0° |
| C18 | C21 | C19 | 121.9° | 120.0° |
| C21 | C18 | H28 | 120.5° | 120.0° |
| C18 | C21 | H29 | 119.1° | 120.0° |
| C20 | C19 | C21 | 119.7° | 120.0° |
| C20 | C19 | H30 | 120.1° | 120.0° |
| C19 | C20 | H31 | 120.9° | 120.0° |
| C19 | C21 | H29 | 119.1° | 120.0° |
| C21 | C19 | H30 | 120.1° | 120.0° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C34 | H8 | 109.5° | 109.5° |
| H9 | C35 | H10 | 109.4° | 109.5° |
| H12 | C39 | H13 | 109.5° | 109.5° |
| H12 | C39 | H14 | 109.5° | 109.5° |
| H13 | C39 | H14 | 109.5° | 109.5° |
| H15 | C37 | H16 | 109.5° | 109.5° |
| H17 | C38 | H18 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H24 | C22 | H26 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N3 | C9 | S5 | 179.2° | 180.0° |
| N3 | C2 | N1 | H1 | 180.0° | 179.6° |
| C2 | N3 | C9 | C8 | 0.5° | 0.3° |
| N3 | C2 | N1 | C4 | 2.4° | 0.1° |
| N3 | C9 | S5 | C8 | 179.7° | 179.7° |
| N3 | C9 | S5 | C6 | 179.5° | 180.0° |
| C9 | N3 | C2 | N1 | 2.1° | 0.4° |
| N3 | C9 | C8 | C7 | 179.9° | 179.9° |
| N3 | C9 | C8 | C4 | 0.8° | 0.1° |
| C9 | N3 | C2 | H1 | 177.9° | 180.0° |
| C9 | S5 | C6 | C10 | 179.6° | 180.0° |
| C9 | S5 | C6 | C7 | 0.6° | 0.3° |
| S5 | C9 | C8 | C7 | 0.2° | 0.2° |
| S5 | C9 | C8 | C4 | 179.5° | 179.7° |
| S5 | C6 | C10 | C22 | 19.0° | 90.3° |
| C6 | S5 | C9 | C8 | 0.2° | 0.3° |
| S5 | C6 | C10 | C7 | 178.9° | 179.7° |
| S5 | C6 | C7 | C8 | 0.9° | 0.3° |
| S5 | C6 | C7 | C23 | 179.7° | 179.7° |
| S5 | C6 | C10 | H5 | 138.9° | 29.7° |
| S5 | C6 | C10 | H6 | 100.8° | 149.7° |
| C22 | C10 | C6 | H5 | 119.8° | 120.0° |
| C22 | C10 | C6 | H6 | 119.8° | 120.0° |
| C22 | C10 | C6 | C7 | 159.8° | 90.0° |
| C22 | C10 | H5 | H6 | 120.6° | 120.0° |
| C10 | C22 | H24 | H25 | 120.0° | 119.9° |
| C10 | C22 | H24 | H26 | 120.0° | 120.0° |
| C10 | C22 | H25 | H26 | 120.0° | 120.1° |
| C2 | N1 | C4 | C8 | 1.1° | 0.3° |
| C2 | N1 | C4 | O11 | 176.2° | 180.0° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C9 | C8 | C4 | N1 | 0.5° | 0.4° |
| C9 | C8 | C7 | C4 | 179.2° | 179.9° |
| C9 | C8 | C7 | C23 | 180.0° | 180.0° |
| C9 | C8 | C4 | O11 | 177.8° | 180.0° |
| C10 | C6 | C7 | C8 | 179.9° | 180.0° |
| C10 | C6 | C7 | C23 | 0.8° | 0.0° |
| C6 | C10 | H5 | H6 | 120.5° | 120.0° |
| C6 | C10 | C22 | H24 | 180.0° | 180.0° |
| C6 | C10 | C22 | H25 | 60.0° | 60.0° |
| C6 | C10 | C22 | H26 | 60.0° | 60.0° |
| C6 | C7 | C8 | C23 | 179.3° | 180.0° |
| C6 | C7 | C8 | C4 | 179.9° | 179.9° |
| C6 | C7 | C23 | C28 | 109.4° | 95.7° |
| C6 | C7 | C23 | C24 | 69.8° | 84.2° |
| C7 | C6 | C10 | H5 | 40.0° | 150.0° |
| C7 | C6 | C10 | H6 | 80.4° | 29.9° |
| N1 | C4 | C8 | C7 | 179.6° | 179.8° |
| N1 | C4 | C8 | O11 | 177.3° | 179.7° |
| N1 | C4 | O11 | C12 | 3.9° | 3.0° |
| C4 | N1 | C2 | H1 | 177.6° | 179.7° |
| C7 | C8 | C4 | O11 | 3.1° | 0.1° |
| C8 | C7 | C23 | C28 | 71.3° | 84.2° |
| C8 | C7 | C23 | C24 | 109.5° | 95.9° |
| C4 | C8 | C7 | C23 | 0.8° | 0.1° |
| C8 | C4 | O11 | C12 | 178.8° | 176.6° |
| C7 | C23 | C28 | C24 | 179.2° | 179.9° |
| C7 | C23 | C28 | C26 | 177.9° | 180.0° |
| C7 | C23 | C24 | C29 | 0.6° | 0.0° |
| C7 | C23 | C24 | C27 | 179.4° | 179.7° |
| C7 | C23 | C28 | H19 | 2.1° | 0.0° |
| C4 | O11 | C12 | C14 | 68.4° | 94.6° |
| C4 | O11 | C12 | C13 | 168.9° | 145.3° |
| C4 | O11 | C12 | H2 | 51.1° | 25.3° |
| O16 | C14 | O15 | C12 | 177.0° | 180.0° |
| O16 | C14 | C12 | O11 | 16.1° | 5.0° |
| O16 | C14 | C12 | C13 | 104.0° | 115.0° |
| O16 | C14 | C12 | H2 | 136.3° | 125.0° |
| O16 | C14 | O15 | H27 | 0.0° | 0.0° |
| O15 | C14 | C12 | O11 | 161.0° | 175.0° |
| O15 | C14 | C12 | C13 | 78.8° | 65.0° |
| O15 | C14 | C12 | H2 | 40.8° | 55.0° |
| C14 | C12 | O11 | C13 | 122.7° | 120.0° |
| C14 | C12 | O11 | H2 | 119.5° | 120.0° |
| C14 | C12 | C13 | H2 | 119.4° | 120.0° |
| C14 | C12 | C13 | C17 | 169.8° | 175.2° |
| C14 | C12 | C13 | H3 | 49.5° | 55.2° |
| C14 | C12 | C13 | H4 | 69.9° | 64.8° |
| C12 | C14 | O15 | H27 | 177.0° | 180.0° |
| C23 | C28 | C26 | H19 | 180.0° | 179.9° |
| C28 | C23 | C24 | C29 | 179.8° | 180.0° |
| C28 | C23 | C24 | C27 | 0.2° | 0.4° |
| C23 | C28 | C26 | N32 | 179.5° | 179.9° |
| C23 | C28 | C26 | C25 | 2.0° | 0.2° |
| C24 | C23 | C28 | C26 | 1.3° | 0.1° |
| C23 | C24 | C29 | C27 | 180.0° | 179.7° |
| C23 | C24 | C27 | C25 | 1.0° | 0.3° |
| C23 | C24 | C27 | CL | 179.6° | 179.7° |
| C24 | C23 | C28 | H19 | 178.7° | 179.9° |
| C23 | C24 | C29 | H21 | 90.0° | 89.8° |
| C23 | C24 | C29 | H22 | 150.0° | 30.2° |
| C23 | C24 | C29 | H23 | 30.0° | 150.1° |
| O11 | C12 | C13 | H2 | 118.3° | 120.0° |
| O11 | C12 | C13 | C17 | 68.0° | 64.8° |
| O11 | C12 | C13 | H3 | 171.7° | 175.2° |
| O11 | C12 | C13 | H4 | 52.3° | 55.2° |
| C28 | C26 | N32 | C34 | 57.1° | 60.3° |
| C28 | C26 | N32 | C25 | 177.2° | 179.7° |
| C28 | C26 | N32 | C38 | 107.2° | 63.5° |
| C28 | C26 | C25 | C27 | 1.2° | 0.3° |
| C28 | C26 | C25 | O30 | 178.8° | 179.7° |
| C12 | C13 | C17 | H3 | 120.3° | 120.0° |
| C12 | C13 | C17 | H4 | 120.3° | 120.0° |
| C12 | C13 | C17 | C33 | 77.5° | 90.8° |
| C12 | C13 | C17 | C18 | 102.5° | 88.8° |
| C12 | C13 | H3 | H4 | 119.1° | 120.0° |
| C35 | C34 | N32 | H7 | 120.3° | 120.0° |
| C35 | C34 | N32 | H8 | 120.3° | 120.0° |
| C34 | C35 | N36 | H9 | 120.0° | 119.9° |
| C34 | C35 | N36 | H10 | 120.0° | 120.0° |
| C34 | C35 | N36 | C39 | 171.5° | 176.8° |
| C34 | C35 | N36 | C37 | 69.1° | 59.4° |
| C35 | C34 | N32 | C26 | 171.7° | 176.8° |
| C35 | C34 | N32 | C38 | 24.4° | 59.3° |
| C35 | C34 | H7 | H8 | 119.0° | 120.1° |
| C34 | C35 | H9 | H10 | 119.9° | 120.0° |
| N32 | C34 | C35 | N36 | 42.8° | 58.4° |
| C34 | N32 | C26 | C38 | 164.3° | 123.8° |
| C34 | N32 | C26 | C25 | 125.6° | 120.0° |
| C34 | N32 | C38 | C37 | 28.1° | 59.4° |
| N32 | C34 | H7 | H8 | 119.0° | 120.1° |
| N32 | C34 | C35 | H9 | 162.8° | 178.4° |
| N32 | C34 | C35 | H10 | 77.2° | 61.6° |
| C34 | N32 | C38 | H17 | 148.3° | 60.7° |
| C34 | N32 | C38 | H18 | 92.1° | 179.3° |
| C29 | C24 | C27 | C25 | 179.0° | 180.0° |
| C29 | C24 | C27 | CL | 0.4° | 0.0° |
| C24 | C29 | H21 | H22 | 120.0° | 120.0° |
| C24 | C29 | H21 | H23 | 120.0° | 120.0° |
| C24 | C29 | H22 | H23 | 120.0° | 120.0° |
| C35 | N36 | C39 | C37 | 118.7° | 123.7° |
| C35 | N36 | C37 | C38 | 73.9° | 59.3° |
| N36 | C35 | C34 | H7 | 163.1° | 178.4° |
| N36 | C35 | C34 | H8 | 77.5° | 61.5° |
| N36 | C35 | H9 | H10 | 120.0° | 120.1° |
| C35 | N36 | C39 | H12 | 180.0° | 60.0° |
| C35 | N36 | C39 | H13 | 60.0° | 180.0° |
| C35 | N36 | C39 | H14 | 60.0° | 60.1° |
| C35 | N36 | C37 | H15 | 166.1° | 179.3° |
| C35 | N36 | C37 | H16 | 46.1° | 60.7° |
| C24 | C27 | C25 | C26 | 0.3° | 0.0° |
| C24 | C27 | C25 | CL | 178.6° | 180.0° |
| C24 | C27 | C25 | O30 | 179.7° | 180.0° |
| C27 | C24 | C29 | H21 | 90.0° | 90.5° |
| C27 | C24 | C29 | H22 | 30.0° | 149.5° |
| C27 | C24 | C29 | H23 | 150.0° | 29.5° |
| C39 | N36 | C37 | C38 | 166.0° | 176.8° |
| C39 | N36 | C35 | H9 | 51.5° | 56.9° |
| C39 | N36 | C35 | H10 | 68.4° | 63.2° |
| N36 | C39 | H12 | H13 | 120.0° | 120.0° |
| N36 | C39 | H12 | H14 | 120.0° | 120.0° |
| N36 | C39 | H13 | H14 | 120.0° | 119.9° |
| C39 | N36 | C37 | H15 | 46.0° | 56.9° |
| C39 | N36 | C37 | H16 | 74.0° | 63.1° |
| N36 | C37 | C38 | N32 | 50.6° | 58.4° |
| N36 | C37 | C38 | H15 | 120.0° | 120.0° |
| N36 | C37 | C38 | H16 | 120.0° | 120.0° |
| C37 | N36 | C35 | H9 | 170.9° | 179.3° |
| C37 | N36 | C35 | H10 | 51.0° | 60.6° |
| C37 | N36 | C39 | H12 | 61.3° | 63.8° |
| C37 | N36 | C39 | H13 | 178.7° | 56.2° |
| C37 | N36 | C39 | H14 | 58.7° | 176.2° |
| N36 | C37 | H15 | H16 | 120.1° | 120.0° |
| N36 | C37 | C38 | H17 | 170.8° | 61.6° |
| N36 | C37 | C38 | H18 | 69.7° | 178.4° |
| N32 | C26 | C25 | C27 | 178.3° | 180.0° |
| N32 | C26 | C25 | O30 | 1.7° | 0.0° |
| C26 | N32 | C38 | C37 | 167.9° | 176.8° |
| C26 | N32 | C34 | H7 | 51.3° | 56.9° |
| C26 | N32 | C34 | H8 | 68.0° | 63.2° |
| C26 | N32 | C38 | H17 | 47.7° | 63.2° |
| C26 | N32 | C38 | H18 | 71.8° | 56.9° |
| N32 | C26 | C28 | H19 | 0.6° | 0.0° |
| C25 | C26 | N32 | C38 | 70.0° | 116.2° |
| C26 | C25 | C27 | O30 | 180.0° | 180.0° |
| C26 | C25 | C27 | CL | 178.9° | 180.0° |
| C25 | C26 | C28 | H19 | 178.0° | 179.7° |
| C26 | C25 | O30 | H20 | 180.0° | 90.0° |
| N32 | C38 | C37 | H17 | 120.2° | 120.1° |
| N32 | C38 | C37 | H18 | 120.2° | 120.0° |
| C38 | N32 | C34 | H7 | 144.8° | 179.3° |
| C38 | N32 | C34 | H8 | 95.9° | 60.6° |
| N32 | C38 | C37 | H15 | 170.6° | 178.4° |
| N32 | C38 | C37 | H16 | 69.4° | 61.6° |
| N32 | C38 | H17 | H18 | 119.3° | 120.1° |
| C13 | C17 | C33 | C18 | 179.9° | 179.7° |
| C13 | C17 | C33 | C20 | 179.2° | 179.8° |
| C13 | C17 | C18 | C21 | 178.6° | 180.0° |
| C17 | C13 | C12 | H2 | 50.4° | 55.2° |
| C17 | C13 | H3 | H4 | 119.1° | 120.0° |
| C13 | C17 | C18 | H28 | 1.4° | 0.1° |
| C13 | C17 | C33 | H32 | 0.8° | 0.0° |
| C27 | C25 | O30 | H20 | 0.0° | 90.0° |
| CL | C27 | C25 | O30 | 1.1° | 0.0° |
| C38 | C37 | H15 | H16 | 120.1° | 120.1° |
| C37 | C38 | H17 | H18 | 119.3° | 119.9° |
| C17 | C33 | C20 | H32 | 180.0° | 179.8° |
| C33 | C17 | C18 | C21 | 1.4° | 0.3° |
| C17 | C33 | C20 | C19 | 1.8° | 0.5° |
| C33 | C17 | C13 | H3 | 42.8° | 29.2° |
| C33 | C17 | C13 | H4 | 162.2° | 149.1° |
| C33 | C17 | C18 | H28 | 178.6° | 179.8° |
| C17 | C33 | C20 | H31 | 178.2° | 179.8° |
| C18 | C17 | C33 | C20 | 0.7° | 0.5° |
| C17 | C18 | C21 | H28 | 180.0° | 179.9° |
| C17 | C18 | C21 | C19 | 2.6° | 0.1° |
| C18 | C17 | C13 | H3 | 137.2° | 151.1° |
| C18 | C17 | C13 | H4 | 17.8° | 31.2° |
| C17 | C18 | C21 | H29 | 177.4° | 179.9° |
| C18 | C17 | C33 | H32 | 179.3° | 179.7° |
| C33 | C20 | C19 | H31 | 180.0° | 179.8° |
| C33 | C20 | C19 | C21 | 0.7° | 0.2° |
| C33 | C20 | C19 | H30 | 179.3° | 179.8° |
| C18 | C21 | C19 | C20 | 1.5° | 0.0° |
| C18 | C21 | C19 | H29 | 180.0° | 180.0° |
| C18 | C21 | C19 | H30 | 178.5° | 180.0° |
| C20 | C19 | C21 | H30 | 180.0° | 180.0° |
| C20 | C19 | C21 | H29 | 178.5° | 180.0° |
| C19 | C20 | C33 | H32 | 178.2° | 179.8° |
| C19 | C21 | C18 | H28 | 177.4° | 180.0° |
| C21 | C19 | C20 | H31 | 179.3° | 180.0° |
| H2 | C12 | C13 | H3 | 69.9° | 64.8° |
| H2 | C12 | C13 | H4 | 170.7° | 175.2° |
| H5 | C10 | C22 | H24 | 60.2° | 60.0° |
| H5 | C10 | C22 | H25 | 59.8° | 180.0° |
| H5 | C10 | C22 | H26 | 179.8° | 60.0° |
| H6 | C10 | C22 | H24 | 60.2° | 60.0° |
| H6 | C10 | C22 | H25 | 179.8° | 60.0° |
| H6 | C10 | C22 | H26 | 59.8° | 180.0° |
| H7 | C34 | C35 | H9 | 76.8° | 61.7° |
| H7 | C34 | C35 | H10 | 43.1° | 58.3° |
| H8 | C34 | C35 | H9 | 42.5° | 58.4° |
| H8 | C34 | C35 | H10 | 162.5° | 178.4° |
| H12 | C39 | H13 | H14 | 120.0° | 120.0° |
| H15 | C37 | C38 | H17 | 69.2° | 58.3° |
| H15 | C37 | C38 | H18 | 50.3° | 61.6° |
| H16 | C37 | C38 | H17 | 50.8° | 178.4° |
| H16 | C37 | C38 | H18 | 170.4° | 58.5° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
| H24 | C22 | H25 | H26 | 120.0° | 120.0° |
| H28 | C18 | C21 | H29 | 2.6° | 0.0° |
| H29 | C21 | C19 | H30 | 1.5° | 0.0° |
| H30 | C19 | C20 | H31 | 0.7° | 0.0° |
| H31 | C20 | C33 | H32 | 1.8° | 0.0° |
