V46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C29 | sing | 1.35Å | 1.34Å | |
| N28 | C27 | sing | 1.47Å | 1.54Å | |
| O30 | C29 | doub | 1.21Å | 1.20Å | |
| C29 | C25 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.48Å | |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C20 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.45Å | |
| CL | C3 | sing | 1.74Å | 1.69Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C17 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| O10 | C9 | doub | 1.22Å | 1.20Å | |
| O18 | C17 | doub | 1.21Å | 1.21Å | |
| C17 | C12 | sing | 1.51Å | 1.53Å | |
| C7 | O8 | sing | 1.45Å | 1.40Å | |
| C9 | O8 | sing | 1.35Å | 1.32Å | |
| C9 | N11 | sing | 1.35Å | 1.34Å | |
| C12 | N11 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| N11 | H27 | sing | 0.97Å | 1.00Å | |
| N19 | H28 | sing | 0.97Å | 1.00Å | |
| N28 | H29 | sing | 0.97Å | 1.00Å | |
| O22 | H30 | sing | 0.97Å | 0.95Å | |
| C21 | S1 | sing | 1.81Å | 21.51Å | |
| S1 | O3 | doub | 1.42Å | 0.00Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | sing | 1.52Å | 0.00Å | |
| O2 | H14 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N28 | C27 | 109.9° | 111.3° |
| N28 | C29 | O30 | 125.7° | 125.0° |
| N28 | C29 | C25 | 108.9° | 110.0° |
| C29 | N28 | H29 | 125.1° | 124.4° |
| N28 | C27 | C26 | 103.3° | 105.4° |
| N28 | C27 | H20 | 111.0° | 110.3° |
| N28 | C27 | H21 | 111.0° | 110.3° |
| C27 | N28 | H29 | 125.0° | 124.3° |
| O30 | C29 | C25 | 125.4° | 125.0° |
| C29 | C25 | C26 | 106.7° | 104.3° |
| C29 | C25 | C24 | 110.6° | 110.4° |
| C29 | C25 | H17 | 110.0° | 110.5° |
| C27 | C26 | C25 | 102.7° | 101.8° |
| C27 | C26 | H18 | 111.1° | 111.0° |
| C27 | C26 | H19 | 111.1° | 111.0° |
| C26 | C27 | H20 | 111.0° | 110.3° |
| C26 | C27 | H21 | 111.0° | 110.3° |
| C26 | C25 | C24 | 109.9° | 110.5° |
| C26 | C25 | H17 | 110.4° | 110.5° |
| C25 | C26 | H18 | 111.1° | 111.0° |
| C25 | C26 | H19 | 111.2° | 111.0° |
| O22 | C21 | C20 | 110.2° | 109.5° |
| O22 | C21 | H13 | 123.2° | 109.5° |
| C21 | O22 | H30 | 109.5° | 114.0° |
| O22 | C21 | S1 | 61.3° | 109.5° |
| C25 | C24 | C20 | 108.2° | 109.5° |
| C25 | C24 | H15 | 109.8° | 109.5° |
| C25 | C24 | H16 | 109.8° | 109.5° |
| C24 | C25 | H17 | 109.2° | 110.4° |
| C24 | C20 | C21 | 110.8° | 109.5° |
| C24 | C20 | N19 | 109.6° | 109.5° |
| C24 | C20 | H12 | 109.0° | 109.5° |
| C20 | C24 | H15 | 109.8° | 109.5° |
| C20 | C24 | H16 | 109.8° | 109.4° |
| C5 | C4 | C3 | 119.8° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C5 | C4 | H22 | 120.1° | 120.0° |
| C4 | C5 | H23 | 120.0° | 119.9° |
| C4 | C3 | CL | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C3 | C4 | H22 | 120.1° | 120.0° |
| C21 | C20 | N19 | 108.4° | 109.5° |
| C21 | C20 | H12 | 109.0° | 109.5° |
| C20 | C21 | H13 | 120.2° | 109.5° |
| C20 | C21 | S1 | 91.1° | 109.5° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C6 | C5 | H23 | 120.0° | 120.0° |
| C5 | C6 | H24 | 119.8° | 120.0° |
| C20 | N19 | C17 | 122.1° | 120.0° |
| N19 | C20 | H12 | 110.0° | 109.4° |
| C20 | N19 | H28 | 119.0° | 120.0° |
| CL | C3 | C2 | 119.9° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C3 | C2 | H11 | 120.1° | 120.1° |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C6 | C1 | C7 | 119.4° | 120.0° |
| C1 | C6 | H24 | 119.9° | 120.0° |
| N19 | C17 | O18 | 121.9° | 120.0° |
| N19 | C17 | C12 | 117.7° | 120.0° |
| C17 | N19 | H28 | 118.9° | 120.0° |
| C2 | C1 | C7 | 120.9° | 120.0° |
| C1 | C2 | H11 | 120.1° | 120.0° |
| C1 | C7 | O8 | 111.9° | 109.5° |
| C1 | C7 | H25 | 108.9° | 109.5° |
| C1 | C7 | H26 | 108.9° | 109.4° |
| O10 | C9 | O8 | 121.0° | 120.0° |
| O10 | C9 | N11 | 121.1° | 120.0° |
| O18 | C17 | C12 | 120.5° | 120.0° |
| C17 | C12 | N11 | 111.3° | 109.5° |
| C17 | C12 | C13 | 107.5° | 109.5° |
| C17 | C12 | H1 | 109.2° | 109.5° |
| C7 | O8 | C9 | 117.3° | 117.0° |
| O8 | C7 | H25 | 108.9° | 109.5° |
| O8 | C7 | H26 | 108.9° | 109.5° |
| O8 | C9 | N11 | 117.9° | 120.0° |
| C9 | N11 | C12 | 121.6° | 120.0° |
| C9 | N11 | H27 | 119.2° | 120.0° |
| N11 | C12 | C13 | 109.3° | 109.5° |
| N11 | C12 | H1 | 110.2° | 109.4° |
| C12 | N11 | H27 | 119.2° | 120.0° |
| C12 | C13 | C14 | 108.2° | 109.5° |
| C13 | C12 | H1 | 109.2° | 109.5° |
| C12 | C13 | H2 | 109.8° | 109.4° |
| C12 | C13 | H3 | 109.8° | 109.4° |
| C13 | C14 | C16 | 110.6° | 109.5° |
| C13 | C14 | C15 | 108.0° | 109.5° |
| C14 | C13 | H2 | 109.8° | 109.5° |
| C14 | C13 | H3 | 109.8° | 109.5° |
| C13 | C14 | H4 | 109.4° | 109.5° |
| C16 | C14 | C15 | 110.0° | 109.5° |
| C16 | C14 | H4 | 109.4° | 109.5° |
| C14 | C16 | H8 | 109.5° | 109.5° |
| C14 | C16 | H9 | 109.5° | 109.5° |
| C14 | C16 | H10 | 109.4° | 109.5° |
| C15 | C14 | H4 | 109.4° | 109.4° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H8 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H13 | C21 | S1 | 92.1° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.5° |
| H18 | C26 | H19 | 109.5° | 110.8° |
| H20 | C27 | H21 | 109.5° | 110.2° |
| H25 | C7 | H26 | 109.4° | 109.5° |
| C21 | S1 | O3 | 90.0° | 110.5° |
| C21 | S1 | O1 | 90.0° | 110.6° |
| C21 | S1 | O2 | 90.0° | 104.4° |
| O3 | S1 | O1 | 90.0° | 121.0° |
| O3 | S1 | O2 | 90.0° | 104.3° |
| O1 | S1 | O2 | 90.0° | 104.3° |
| S1 | O2 | H14 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N28 | C27 | H29 | 180.0° | 179.8° |
| N28 | C29 | O30 | C25 | 179.6° | 180.0° |
| C29 | N28 | C27 | C26 | 17.4° | 17.1° |
| N28 | C29 | C25 | C26 | 18.6° | 16.1° |
| N28 | C29 | C25 | C24 | 138.2° | 134.9° |
| N28 | C29 | C25 | H17 | 101.1° | 102.7° |
| C29 | N28 | C27 | H20 | 101.6° | 136.2° |
| C29 | N28 | C27 | H21 | 136.4° | 101.9° |
| C27 | N28 | C29 | O30 | 179.8° | 179.5° |
| C27 | N28 | C29 | C25 | 0.2° | 0.6° |
| N28 | C27 | C26 | H20 | 119.0° | 119.0° |
| N28 | C27 | C26 | H21 | 119.0° | 119.0° |
| N28 | C27 | C26 | C25 | 27.4° | 25.4° |
| N28 | C27 | C26 | H18 | 146.2° | 92.7° |
| N28 | C27 | C26 | H19 | 91.6° | 143.6° |
| N28 | C27 | H20 | H21 | 122.9° | 122.0° |
| O30 | C29 | C25 | C26 | 161.7° | 163.9° |
| O30 | C29 | C25 | C24 | 42.2° | 45.1° |
| O30 | C29 | C25 | H17 | 78.6° | 77.4° |
| O30 | C29 | N28 | H29 | 0.2° | 0.3° |
| C29 | C25 | C26 | C27 | 28.4° | 24.7° |
| C29 | C25 | C26 | C24 | 120.0° | 118.7° |
| C29 | C25 | C26 | H17 | 119.5° | 118.8° |
| C29 | C25 | C24 | H17 | 121.2° | 122.5° |
| C29 | C25 | C24 | C20 | 177.3° | 179.9° |
| C29 | C25 | C24 | H15 | 62.9° | 59.9° |
| C29 | C25 | C24 | H16 | 57.4° | 60.2° |
| C29 | C25 | C26 | H18 | 147.2° | 93.4° |
| C29 | C25 | C26 | H19 | 90.6° | 142.9° |
| C25 | C29 | N28 | H29 | 179.8° | 179.6° |
| C27 | C26 | C25 | H18 | 118.9° | 118.1° |
| C27 | C26 | C25 | H19 | 118.9° | 118.2° |
| C27 | C26 | C25 | C24 | 148.3° | 143.5° |
| C27 | C26 | C25 | H17 | 91.1° | 94.1° |
| C27 | C26 | H18 | H19 | 123.2° | 123.8° |
| C26 | C27 | H20 | H21 | 122.9° | 122.0° |
| C26 | C27 | N28 | H29 | 162.6° | 163.1° |
| C26 | C25 | C24 | H17 | 121.2° | 122.6° |
| C26 | C25 | C24 | C20 | 65.2° | 65.2° |
| C26 | C25 | C24 | H15 | 54.6° | 174.8° |
| C26 | C25 | C24 | H16 | 175.0° | 54.7° |
| C25 | C26 | H18 | H19 | 123.2° | 123.8° |
| C25 | C26 | C27 | H20 | 91.6° | 144.4° |
| C25 | C26 | C27 | H21 | 146.4° | 93.6° |
| O22 | C21 | C20 | C24 | 64.5° | 55.0° |
| O22 | C21 | C20 | H13 | 152.8° | 120.0° |
| O22 | C21 | C20 | S1 | 59.7° | 120.0° |
| O22 | C21 | C20 | N19 | 175.2° | 175.0° |
| O22 | C21 | C20 | H12 | 55.5° | 65.1° |
| O22 | C21 | H13 | S1 | 56.6° | 120.0° |
| O22 | C21 | S1 | O3 | 90.0° | 56.6° |
| O22 | C21 | S1 | O1 | 90.0° | 166.7° |
| O22 | C21 | S1 | O2 | 90.0° | 55.0° |
| C25 | C24 | C20 | H15 | 119.8° | 120.0° |
| C25 | C24 | C20 | H16 | 119.8° | 120.0° |
| C25 | C24 | C20 | C21 | 171.3° | 174.6° |
| C25 | C24 | C20 | N19 | 69.1° | 65.4° |
| C25 | C24 | C20 | H12 | 51.4° | 54.5° |
| C25 | C24 | H15 | H16 | 120.6° | 120.0° |
| C24 | C25 | C26 | H18 | 92.8° | 25.3° |
| C24 | C25 | C26 | H19 | 29.4° | 98.4° |
| C24 | C20 | C21 | N19 | 120.3° | 120.0° |
| C24 | C20 | C21 | H12 | 119.9° | 120.1° |
| C24 | C20 | N19 | H12 | 119.8° | 120.0° |
| C24 | C20 | N19 | C17 | 122.9° | 153.2° |
| C24 | C20 | C21 | H13 | 88.3° | 175.0° |
| C20 | C24 | H15 | H16 | 120.6° | 120.0° |
| C20 | C24 | C25 | H17 | 56.0° | 57.3° |
| C24 | C20 | N19 | H28 | 57.1° | 26.8° |
| C24 | C20 | C21 | S1 | 4.7° | 65.0° |
| C5 | C4 | C3 | H22 | 180.0° | 179.7° |
| C4 | C5 | C6 | H23 | 180.0° | 179.7° |
| C5 | C4 | C3 | CL | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.5° |
| C4 | C5 | C6 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C3 | CL | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H11 | 179.8° | 179.9° |
| C3 | C4 | C5 | H23 | 180.0° | 180.0° |
| C21 | C20 | N19 | H12 | 119.1° | 120.0° |
| C21 | C20 | N19 | C17 | 116.0° | 86.7° |
| C20 | C21 | H13 | S1 | 92.5° | 120.0° |
| C21 | C20 | C24 | H15 | 51.5° | 65.4° |
| C21 | C20 | C24 | H16 | 68.9° | 54.6° |
| C21 | C20 | N19 | H28 | 64.0° | 93.2° |
| C20 | C21 | O22 | H30 | 180.0° | 59.9° |
| C20 | C21 | S1 | O3 | 90.0° | 63.3° |
| C20 | C21 | S1 | O1 | 90.0° | 73.4° |
| C20 | C21 | S1 | O2 | 90.0° | 175.0° |
| C5 | C6 | C1 | H24 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.0° | 0.5° |
| C5 | C6 | C1 | C7 | 179.7° | 179.7° |
| C6 | C5 | C4 | H22 | 180.0° | 180.0° |
| C20 | N19 | C17 | H28 | 180.0° | 179.9° |
| C20 | N19 | C17 | O18 | 0.3° | 0.1° |
| C20 | N19 | C17 | C12 | 179.4° | 180.0° |
| N19 | C20 | C21 | H13 | 32.0° | 65.0° |
| N19 | C20 | C24 | H15 | 171.1° | 54.6° |
| N19 | C20 | C24 | H16 | 50.7° | 174.6° |
| N19 | C20 | C21 | S1 | 125.1° | 55.0° |
| CL | C3 | C2 | C1 | 180.0° | 179.9° |
| CL | C3 | C2 | H11 | 0.1° | 0.0° |
| CL | C3 | C4 | H22 | 0.0° | 0.2° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C7 | 179.8° | 180.0° |
| C2 | C3 | C4 | H22 | 179.9° | 179.7° |
| C6 | C1 | C2 | C7 | 179.7° | 179.8° |
| C6 | C1 | C7 | O8 | 177.8° | 90.2° |
| C6 | C1 | C2 | H11 | 179.9° | 179.8° |
| C1 | C6 | C5 | H23 | 180.0° | 179.7° |
| C6 | C1 | C7 | H25 | 57.4° | 29.8° |
| C6 | C1 | C7 | H26 | 61.8° | 149.8° |
| N19 | C17 | O18 | C12 | 179.7° | 179.9° |
| N19 | C17 | C12 | N11 | 135.7° | 179.9° |
| N19 | C17 | C12 | C13 | 104.6° | 60.0° |
| N19 | C17 | C12 | H1 | 13.8° | 60.0° |
| C17 | N19 | C20 | H12 | 3.1° | 33.2° |
| C2 | C1 | C7 | O8 | 1.9° | 90.0° |
| C2 | C1 | C6 | H24 | 180.0° | 180.0° |
| C2 | C1 | C7 | H25 | 122.3° | 150.0° |
| C2 | C1 | C7 | H26 | 118.5° | 30.0° |
| C1 | C7 | O8 | H25 | 120.4° | 120.0° |
| C1 | C7 | O8 | H26 | 120.4° | 120.0° |
| C1 | C7 | O8 | C9 | 90.6° | 180.0° |
| C7 | C1 | C2 | H11 | 0.1° | 0.0° |
| C7 | C1 | C6 | H24 | 0.2° | 0.2° |
| C1 | C7 | H25 | H26 | 118.9° | 120.0° |
| O10 | C9 | O8 | C7 | 5.2° | 0.0° |
| O10 | C9 | O8 | N11 | 179.6° | 180.0° |
| O10 | C9 | N11 | C12 | 14.5° | 0.0° |
| O10 | C9 | N11 | H27 | 165.5° | 179.9° |
| O18 | C17 | C12 | N11 | 44.6° | 0.0° |
| O18 | C17 | C12 | C13 | 75.2° | 120.0° |
| O18 | C17 | C12 | H1 | 166.5° | 119.9° |
| O18 | C17 | N19 | H28 | 179.7° | 180.0° |
| C17 | C12 | N11 | C9 | 55.2° | 155.0° |
| C17 | C12 | N11 | C13 | 118.7° | 120.0° |
| C17 | C12 | N11 | H1 | 121.3° | 120.0° |
| C17 | C12 | C13 | H1 | 118.4° | 120.0° |
| C17 | C12 | C13 | C14 | 177.6° | 175.0° |
| C17 | C12 | C13 | H2 | 62.6° | 65.0° |
| C17 | C12 | C13 | H3 | 57.8° | 55.0° |
| C17 | C12 | N11 | H27 | 124.8° | 25.1° |
| C12 | C17 | N19 | H28 | 0.6° | 0.1° |
| C7 | O8 | C9 | N11 | 175.2° | 180.0° |
| O8 | C7 | H25 | H26 | 118.9° | 120.0° |
| O8 | C9 | N11 | C12 | 165.0° | 180.0° |
| C9 | O8 | C7 | H25 | 29.8° | 60.0° |
| C9 | O8 | C7 | H26 | 149.0° | 60.0° |
| O8 | C9 | N11 | H27 | 15.0° | 0.1° |
| C9 | N11 | C12 | H27 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 173.9° | 84.9° |
| C9 | N11 | C12 | H1 | 66.1° | 35.0° |
| N11 | C12 | C13 | H1 | 120.6° | 119.9° |
| N11 | C12 | C13 | C14 | 61.5° | 64.9° |
| N11 | C12 | C13 | H2 | 58.4° | 55.1° |
| N11 | C12 | C13 | H3 | 178.7° | 175.0° |
| C12 | C13 | C14 | H2 | 119.8° | 120.0° |
| C12 | C13 | C14 | H3 | 119.8° | 120.0° |
| C12 | C13 | C14 | C16 | 66.4° | 65.0° |
| C12 | C13 | C14 | C15 | 173.1° | 175.0° |
| C12 | C13 | H2 | H3 | 120.6° | 119.9° |
| C12 | C13 | C14 | H4 | 54.1° | 55.0° |
| C13 | C12 | N11 | H27 | 6.1° | 95.0° |
| C13 | C14 | C16 | C15 | 119.3° | 120.0° |
| C13 | C14 | C16 | H4 | 120.6° | 120.1° |
| C13 | C14 | C15 | H4 | 119.0° | 120.0° |
| C14 | C13 | C12 | H1 | 59.2° | 55.0° |
| C14 | C13 | H2 | H3 | 120.6° | 120.1° |
| C13 | C14 | C15 | H5 | 180.0° | 60.0° |
| C13 | C14 | C15 | H6 | 60.0° | 180.0° |
| C13 | C14 | C15 | H7 | 60.0° | 60.0° |
| C13 | C14 | C16 | H8 | 180.0° | 60.1° |
| C13 | C14 | C16 | H9 | 60.0° | 180.0° |
| C13 | C14 | C16 | H10 | 60.0° | 59.9° |
| C16 | C14 | C15 | H4 | 120.1° | 120.0° |
| C16 | C14 | C13 | H2 | 173.8° | 175.0° |
| C16 | C14 | C13 | H3 | 53.4° | 55.0° |
| C16 | C14 | C15 | H5 | 59.2° | 60.0° |
| C16 | C14 | C15 | H6 | 179.2° | 60.0° |
| C16 | C14 | C15 | H7 | 60.8° | 180.0° |
| C14 | C16 | H8 | H9 | 120.0° | 120.0° |
| C14 | C16 | H8 | H10 | 120.0° | 120.1° |
| C14 | C16 | H9 | H10 | 120.0° | 120.1° |
| C15 | C14 | C13 | H2 | 53.3° | 55.0° |
| C15 | C14 | C13 | H3 | 67.1° | 65.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H8 | 60.7° | 180.0° |
| C15 | C14 | C16 | H9 | 59.3° | 60.0° |
| C15 | C14 | C16 | H10 | 179.3° | 60.0° |
| H1 | C12 | C13 | H2 | 179.0° | 175.0° |
| H1 | C12 | C13 | H3 | 60.6° | 65.1° |
| H1 | C12 | N11 | H27 | 113.9° | 145.1° |
| H2 | C13 | C14 | H4 | 65.7° | 65.0° |
| H3 | C13 | C14 | H4 | 174.0° | 175.0° |
| H4 | C14 | C15 | H5 | 61.0° | 180.0° |
| H4 | C14 | C15 | H6 | 59.0° | 60.0° |
| H4 | C14 | C15 | H7 | 179.0° | 60.0° |
| H4 | C14 | C16 | H8 | 59.4° | 60.0° |
| H4 | C14 | C16 | H9 | 179.4° | 59.9° |
| H4 | C14 | C16 | H10 | 60.6° | 180.0° |
| H5 | C15 | H6 | H7 | 120.0° | 119.9° |
| H8 | C16 | H9 | H10 | 120.0° | 119.9° |
| H12 | C20 | C21 | H13 | 151.8° | 54.9° |
| H12 | C20 | C24 | H15 | 68.4° | 174.5° |
| H12 | C20 | C24 | H16 | 171.2° | 65.5° |
| H12 | C20 | N19 | H28 | 176.9° | 146.8° |
| H12 | C20 | C21 | S1 | 115.2° | 175.0° |
| H13 | C21 | O22 | H30 | 28.2° | 179.9° |
| H13 | C21 | S1 | O3 | 90.0° | 176.7° |
| H13 | C21 | S1 | O1 | 90.0° | 46.6° |
| H13 | C21 | S1 | O2 | 90.0° | 65.0° |
| H15 | C24 | C25 | H17 | 175.8° | 62.7° |
| H16 | C24 | C25 | H17 | 63.8° | 177.3° |
| H17 | C25 | C26 | H18 | 27.8° | 147.8° |
| H17 | C25 | C26 | H19 | 150.0° | 24.1° |
| H18 | C26 | C27 | H20 | 27.3° | 26.3° |
| H18 | C26 | C27 | H21 | 94.7° | 148.2° |
| H19 | C26 | C27 | H20 | 149.5° | 97.4° |
| H19 | C26 | C27 | H21 | 27.5° | 24.5° |
| H20 | C27 | N28 | H29 | 78.4° | 44.0° |
| H21 | C27 | N28 | H29 | 43.6° | 77.9° |
| H22 | C4 | C5 | H23 | 0.0° | 0.3° |
| H23 | C5 | C6 | H24 | 0.0° | 0.3° |
| H30 | O22 | C21 | S1 | 100.2° | 60.0° |
| C21 | S1 | O3 | O1 | 90.0° | 131.5° |
| C21 | S1 | O3 | O2 | 90.0° | 111.7° |
| C21 | S1 | O1 | O2 | 90.0° | 111.7° |
| C21 | S1 | O2 | H14 | 90.0° | 180.0° |
| O3 | S1 | O1 | O2 | 90.0° | 116.8° |
| O3 | S1 | O2 | H14 | 90.0° | 63.9° |
| O1 | S1 | O2 | H14 | 90.0° | 63.9° |
