R4B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| O10 | C35 | doub | 1.21Å | 1.23Å | |
| C31 | C35 | sing | 1.51Å | 1.53Å | |
| C31 | N3 | sing | 1.46Å | 1.45Å | |
| C35 | N4 | sing | 1.35Å | 1.33Å | |
| CL1 | C1 | sing | 1.74Å | 1.79Å | |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C30 | sing | 1.35Å | 1.33Å | |
| C2 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| O7 | C30 | doub | 1.21Å | 1.24Å | |
| C30 | C26 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| C12 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | O1 | sing | 1.21Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.41Å | Aromatic |
| O1 | C15 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | N2 | sing | 1.46Å | 1.46Å | |
| O4 | C25 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | doub | 1.35Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| N2 | C25 | sing | 1.35Å | 1.32Å | |
| C25 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | P1 | sing | 1.82Å | 1.82Å | |
| P1 | O3 | doub | 1.48Å | 1.51Å | |
| P1 | O2 | sing | 1.61Å | 1.51Å | |
| P1 | C19 | sing | 1.81Å | 1.74Å | |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | BR1 | sing | 1.89Å | 1.90Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C35 | 110.9° | 109.5° |
| C32 | C31 | N3 | 110.6° | 109.5° |
| C32 | C31 | H26 | 108.6° | 109.4° |
| C31 | C32 | H27 | 109.5° | 109.4° |
| C31 | C32 | H28 | 109.4° | 109.5° |
| C31 | C32 | H29 | 109.5° | 109.5° |
| O10 | C35 | C31 | 121.0° | 120.0° |
| O10 | C35 | N4 | 122.9° | 120.0° |
| C35 | C31 | N3 | 108.6° | 109.5° |
| C31 | C35 | N4 | 116.0° | 120.0° |
| C35 | C31 | H26 | 108.6° | 109.5° |
| C31 | N3 | C30 | 120.5° | 120.0° |
| C31 | N3 | H25 | 119.7° | 120.0° |
| N3 | C31 | H26 | 109.6° | 109.5° |
| C35 | N4 | H30 | 120.0° | 120.0° |
| C35 | N4 | H31 | 120.0° | 120.0° |
| CL1 | C1 | C3 | 119.2° | 119.9° |
| CL1 | C1 | C2 | 119.9° | 120.0° |
| C3 | C1 | C2 | 120.8° | 120.1° |
| C1 | C3 | C4 | 120.0° | 120.2° |
| C1 | C3 | H10 | 120.0° | 119.9° |
| C1 | C2 | C6 | 119.1° | 119.8° |
| C1 | C2 | H9 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.2° |
| C4 | C3 | H10 | 120.0° | 119.9° |
| C3 | C4 | H11 | 120.3° | 119.9° |
| N3 | C30 | O7 | 122.6° | 120.0° |
| N3 | C30 | C26 | 116.3° | 120.0° |
| C30 | N3 | H25 | 119.8° | 120.0° |
| C2 | C6 | C5 | 119.9° | 119.8° |
| C2 | C6 | C7 | 122.2° | 120.1° |
| C6 | C2 | H9 | 120.5° | 120.1° |
| C11 | C10 | C7 | 119.2° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C10 | C11 | H5 | 120.2° | 120.0° |
| C11 | C10 | H6 | 120.4° | 120.0° |
| C10 | C7 | C6 | 123.7° | 120.0° |
| C10 | C7 | C8 | 120.5° | 120.0° |
| C7 | C10 | H6 | 120.4° | 120.0° |
| C4 | C5 | C6 | 120.9° | 119.9° |
| C5 | C4 | H11 | 120.3° | 119.9° |
| C4 | C5 | H12 | 119.5° | 120.1° |
| C5 | C6 | C7 | 117.8° | 120.1° |
| C6 | C5 | H12 | 119.6° | 120.1° |
| C6 | C7 | C8 | 115.8° | 120.0° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C11 | C12 | C9 | 121.3° | 120.0° |
| C12 | C11 | H5 | 120.2° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C7 | C8 | H7 | 119.8° | 120.0° |
| O7 | C30 | C26 | 121.1° | 120.0° |
| C30 | C26 | C27 | 110.7° | 109.5° |
| C30 | C26 | N2 | 113.0° | 109.5° |
| C30 | C26 | H21 | 107.2° | 109.4° |
| C13 | C12 | C9 | 119.2° | 120.0° |
| C12 | C13 | N1 | 121.6° | 126.9° |
| C12 | C13 | C14 | 128.3° | 127.0° |
| C12 | C9 | C8 | 118.9° | 120.0° |
| C12 | C9 | H8 | 120.5° | 120.0° |
| C13 | N1 | O1 | 105.1° | 111.4° |
| N1 | C13 | C14 | 110.0° | 106.1° |
| N1 | O1 | C15 | 114.2° | 111.8° |
| C9 | C8 | H7 | 119.7° | 120.0° |
| C8 | C9 | H8 | 120.5° | 120.0° |
| C13 | C14 | C15 | 105.9° | 104.0° |
| C13 | C14 | H4 | 127.1° | 128.0° |
| O1 | C15 | C14 | 104.8° | 106.7° |
| O1 | C15 | C16 | 121.7° | 126.6° |
| C27 | C26 | N2 | 110.3° | 109.5° |
| C27 | C26 | H21 | 107.3° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C26 | N2 | C25 | 119.8° | 120.0° |
| C26 | N2 | H20 | 120.1° | 120.0° |
| N2 | C26 | H21 | 108.1° | 109.5° |
| O4 | C25 | N2 | 122.4° | 120.0° |
| O4 | C25 | C17 | 120.2° | 120.0° |
| C14 | C15 | C16 | 133.5° | 126.7° |
| C15 | C14 | H4 | 127.1° | 128.0° |
| C15 | C16 | C17 | 117.7° | 109.4° |
| C15 | C16 | H2 | 107.4° | 109.5° |
| C15 | C16 | H3 | 107.4° | 109.5° |
| N2 | C25 | C17 | 117.4° | 120.0° |
| C25 | N2 | H20 | 120.1° | 120.0° |
| C25 | C17 | C16 | 106.7° | 109.5° |
| C25 | C17 | C18 | 106.6° | 109.5° |
| C25 | C17 | H1 | 112.2° | 109.4° |
| C16 | C17 | C18 | 107.4° | 109.5° |
| C16 | C17 | H1 | 111.8° | 109.4° |
| C17 | C16 | H2 | 107.4° | 109.4° |
| C17 | C16 | H3 | 107.4° | 109.4° |
| C17 | C18 | P1 | 115.0° | 109.5° |
| C18 | C17 | H1 | 111.7° | 109.5° |
| C17 | C18 | H13 | 108.1° | 109.5° |
| C17 | C18 | H14 | 108.1° | 109.4° |
| C18 | P1 | O3 | 109.4° | 109.5° |
| C18 | P1 | O2 | 108.0° | 109.5° |
| C18 | P1 | C19 | 106.6° | 109.5° |
| P1 | C18 | H13 | 108.1° | 109.5° |
| P1 | C18 | H14 | 108.1° | 109.5° |
| O3 | P1 | O2 | 116.3° | 109.4° |
| O3 | P1 | C19 | 107.4° | 109.4° |
| O2 | P1 | C19 | 108.8° | 109.5° |
| P1 | O2 | H15 | 109.5° | 114.0° |
| P1 | C19 | C24 | 120.2° | 120.0° |
| P1 | C19 | C20 | 118.6° | 120.0° |
| C19 | C24 | C23 | 118.8° | 120.0° |
| C24 | C19 | C20 | 121.2° | 120.1° |
| C19 | C24 | H19 | 120.6° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H18 | 120.0° | 120.1° |
| C23 | C24 | H19 | 120.6° | 119.9° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C19 | C20 | H16 | 120.1° | 120.0° |
| C23 | C22 | C21 | 120.7° | 120.0° |
| C23 | C22 | BR1 | 121.7° | 120.0° |
| C22 | C23 | H18 | 120.0° | 119.9° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | H16 | 120.1° | 120.0° |
| C20 | C21 | H17 | 120.2° | 120.0° |
| C21 | C22 | BR1 | 117.6° | 120.0° |
| C22 | C21 | H17 | 120.2° | 120.0° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H27 | C32 | H29 | 109.4° | 109.4° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H30 | N4 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C35 | O10 | 113.4° | 120.0° |
| C32 | C31 | C35 | N3 | 121.7° | 120.0° |
| C32 | C31 | C35 | H26 | 119.2° | 120.0° |
| C32 | C31 | N3 | H26 | 119.7° | 119.9° |
| C32 | C31 | C35 | N4 | 67.6° | 60.0° |
| C32 | C31 | N3 | C30 | 175.6° | 85.0° |
| C32 | C31 | N3 | H25 | 4.4° | 95.0° |
| C31 | C32 | H27 | H28 | 120.0° | 120.0° |
| C31 | C32 | H27 | H29 | 120.0° | 120.0° |
| C31 | C32 | H28 | H29 | 120.0° | 120.1° |
| O10 | C35 | C31 | N4 | 179.0° | 180.0° |
| O10 | C35 | C31 | N3 | 124.9° | 0.0° |
| O10 | C35 | C31 | H26 | 5.8° | 120.0° |
| O10 | C35 | N4 | H30 | 0.0° | 179.9° |
| O10 | C35 | N4 | H31 | 180.0° | 0.0° |
| C35 | C31 | N3 | H26 | 118.5° | 120.0° |
| C35 | C31 | N3 | C30 | 62.5° | 155.0° |
| C35 | C31 | N3 | H25 | 117.5° | 25.0° |
| C35 | C31 | C32 | H27 | 180.0° | 60.0° |
| C35 | C31 | C32 | H28 | 60.0° | 60.0° |
| C35 | C31 | C32 | H29 | 60.0° | 179.9° |
| C31 | C35 | N4 | H30 | 179.0° | 0.1° |
| C31 | C35 | N4 | H31 | 1.0° | 180.0° |
| N3 | C31 | C35 | N4 | 54.1° | 180.0° |
| C31 | N3 | C30 | H25 | 180.0° | 180.0° |
| C31 | N3 | C30 | O7 | 8.8° | 0.0° |
| C31 | N3 | C30 | C26 | 171.9° | 180.0° |
| N3 | C31 | C32 | H27 | 59.5° | 60.0° |
| N3 | C31 | C32 | H28 | 60.5° | 180.0° |
| N3 | C31 | C32 | H29 | 179.5° | 59.9° |
| N4 | C35 | C31 | H26 | 173.2° | 60.0° |
| C35 | N4 | H30 | H31 | 180.0° | 179.9° |
| CL1 | C1 | C3 | C2 | 179.8° | 179.7° |
| CL1 | C1 | C3 | C4 | 179.8° | 180.0° |
| CL1 | C1 | C2 | C6 | 179.1° | 180.0° |
| CL1 | C1 | C2 | H9 | 0.9° | 0.0° |
| CL1 | C1 | C3 | H10 | 0.1° | 0.0° |
| C1 | C3 | C4 | H10 | 180.0° | 180.0° |
| C3 | C1 | C2 | C6 | 1.1° | 0.3° |
| C1 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C1 | C2 | H9 | 178.9° | 179.8° |
| C1 | C3 | C4 | H11 | 179.9° | 179.9° |
| C2 | C1 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C6 | H9 | 180.0° | 180.0° |
| C1 | C2 | C6 | C5 | 2.0° | 0.0° |
| C1 | C2 | C6 | C7 | 178.3° | 180.0° |
| C2 | C1 | C3 | H10 | 179.9° | 179.7° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C3 | C4 | C5 | H12 | 179.2° | 180.0° |
| N3 | C30 | O7 | C26 | 179.2° | 180.0° |
| N3 | C30 | C26 | C27 | 84.7° | 60.0° |
| N3 | C30 | C26 | N2 | 151.0° | 180.0° |
| N3 | C30 | C26 | H21 | 32.0° | 60.0° |
| C30 | N3 | C31 | H26 | 56.0° | 35.0° |
| C2 | C6 | C7 | C10 | 36.9° | 180.0° |
| C2 | C6 | C5 | C4 | 1.9° | 0.3° |
| C2 | C6 | C5 | C7 | 176.5° | 180.0° |
| C2 | C6 | C7 | C8 | 141.3° | 0.0° |
| C2 | C6 | C5 | H12 | 178.1° | 180.0° |
| C11 | C10 | C7 | H6 | 180.0° | 180.0° |
| C11 | C10 | C7 | C6 | 179.0° | 180.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C7 | C8 | 0.9° | 0.0° |
| C10 | C11 | C12 | C13 | 178.8° | 180.0° |
| C10 | C11 | C12 | C9 | 2.2° | 0.3° |
| C10 | C7 | C6 | C5 | 146.6° | 0.0° |
| C10 | C7 | C6 | C8 | 178.2° | 180.0° |
| C7 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C7 | C8 | C9 | 0.9° | 0.2° |
| C7 | C10 | C11 | H5 | 179.4° | 180.0° |
| C10 | C7 | C8 | H7 | 179.1° | 180.0° |
| C4 | C5 | C6 | H12 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 178.4° | 179.7° |
| C5 | C4 | C3 | H10 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 35.2° | 180.0° |
| C5 | C6 | C2 | H9 | 178.0° | 180.0° |
| C6 | C5 | C4 | H11 | 179.2° | 179.7° |
| C6 | C7 | C8 | C9 | 179.1° | 179.8° |
| C6 | C7 | C10 | H6 | 1.0° | 0.0° |
| C6 | C7 | C8 | H7 | 0.9° | 0.0° |
| C7 | C6 | C2 | H9 | 1.6° | 0.0° |
| C7 | C6 | C5 | H12 | 1.6° | 0.1° |
| C11 | C12 | C13 | C9 | 176.7° | 179.8° |
| C11 | C12 | C13 | N1 | 5.9° | 179.7° |
| C11 | C12 | C9 | C8 | 2.2° | 0.5° |
| C11 | C12 | C13 | C14 | 175.8° | 0.2° |
| C12 | C11 | C10 | H6 | 179.4° | 180.0° |
| C11 | C12 | C9 | H8 | 177.8° | 179.7° |
| C7 | C8 | C9 | C12 | 0.6° | 0.5° |
| C7 | C8 | C9 | H7 | 180.0° | 179.8° |
| C8 | C7 | C10 | H6 | 179.1° | 180.0° |
| C7 | C8 | C9 | H8 | 179.4° | 179.8° |
| O7 | C30 | C26 | C27 | 96.1° | 120.0° |
| O7 | C30 | C26 | N2 | 28.3° | 0.0° |
| O7 | C30 | C26 | H21 | 147.2° | 120.0° |
| O7 | C30 | N3 | H25 | 171.2° | 179.9° |
| C30 | C26 | C27 | N2 | 125.9° | 120.0° |
| C30 | C26 | C27 | H21 | 116.6° | 119.9° |
| C30 | C26 | N2 | H21 | 118.5° | 120.0° |
| C30 | C26 | N2 | C25 | 97.5° | 155.0° |
| C30 | C26 | N2 | H20 | 82.5° | 25.0° |
| C30 | C26 | C27 | H22 | 180.0° | 60.0° |
| C30 | C26 | C27 | H23 | 60.0° | 180.0° |
| C30 | C26 | C27 | H24 | 60.0° | 60.0° |
| C26 | C30 | N3 | H25 | 8.1° | 0.1° |
| C12 | C13 | N1 | C14 | 178.5° | 179.9° |
| C12 | C13 | N1 | O1 | 178.3° | 180.0° |
| C13 | C12 | C9 | C8 | 178.8° | 179.7° |
| C12 | C13 | C14 | C15 | 178.5° | 180.0° |
| C12 | C13 | C14 | H4 | 1.5° | 0.1° |
| C13 | C12 | C11 | H5 | 1.2° | 0.0° |
| C13 | C12 | C9 | H8 | 1.2° | 0.0° |
| C9 | C12 | C13 | N1 | 170.8° | 0.1° |
| C12 | C9 | C8 | H8 | 180.0° | 179.8° |
| C9 | C12 | C13 | C14 | 7.5° | 180.0° |
| C9 | C12 | C11 | H5 | 177.8° | 179.7° |
| C12 | C9 | C8 | H7 | 179.4° | 179.7° |
| C13 | N1 | O1 | C15 | 0.5° | 0.0° |
| N1 | C13 | C14 | C15 | 0.1° | 0.1° |
| N1 | C13 | C14 | H4 | 179.9° | 180.0° |
| O1 | N1 | C13 | C14 | 0.3° | 0.1° |
| N1 | O1 | C15 | C14 | 0.6° | 0.0° |
| N1 | O1 | C15 | C16 | 179.6° | 179.9° |
| C13 | C14 | C15 | O1 | 0.4° | 0.0° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.2° | 180.0° |
| O1 | C15 | C14 | C16 | 178.9° | 179.9° |
| O1 | C15 | C16 | C17 | 157.5° | 95.8° |
| O1 | C15 | C16 | H2 | 36.3° | 144.3° |
| O1 | C15 | C16 | H3 | 81.4° | 24.1° |
| O1 | C15 | C14 | H4 | 179.6° | 179.9° |
| C27 | C26 | N2 | H21 | 117.0° | 120.0° |
| C27 | C26 | N2 | C25 | 137.9° | 85.0° |
| C27 | C26 | N2 | H20 | 42.0° | 95.0° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C26 | C27 | H22 | H24 | 120.0° | 120.0° |
| C26 | C27 | H23 | H24 | 120.0° | 120.0° |
| C26 | N2 | C25 | O4 | 7.5° | 0.0° |
| C26 | N2 | C25 | H20 | 180.0° | 180.0° |
| C26 | N2 | C25 | C17 | 172.3° | 179.9° |
| N2 | C26 | C27 | H22 | 54.1° | 180.0° |
| N2 | C26 | C27 | H23 | 65.8° | 60.0° |
| N2 | C26 | C27 | H24 | 174.2° | 60.0° |
| O4 | C25 | N2 | C17 | 179.8° | 179.9° |
| O4 | C25 | C17 | C16 | 41.2° | 0.1° |
| O4 | C25 | C17 | C18 | 73.4° | 120.0° |
| O4 | C25 | C17 | H1 | 164.0° | 120.0° |
| O4 | C25 | N2 | H20 | 172.6° | 180.0° |
| C14 | C15 | C16 | C17 | 23.8° | 84.3° |
| C14 | C15 | C16 | H2 | 145.0° | 35.7° |
| C14 | C15 | C16 | H3 | 97.3° | 155.8° |
| C15 | C16 | C17 | C25 | 80.5° | 66.2° |
| C15 | C16 | C17 | H2 | 121.1° | 120.0° |
| C15 | C16 | C17 | H3 | 121.2° | 120.0° |
| C15 | C16 | C17 | C18 | 165.5° | 173.7° |
| C15 | C16 | C17 | H1 | 42.6° | 53.7° |
| C15 | C16 | H2 | H3 | 116.3° | 120.1° |
| C16 | C15 | C14 | H4 | 0.7° | 0.1° |
| N2 | C25 | C17 | C16 | 139.0° | 180.0° |
| N2 | C25 | C17 | C18 | 106.5° | 59.9° |
| N2 | C25 | C17 | H1 | 16.2° | 60.1° |
| C25 | N2 | C26 | H21 | 20.9° | 35.0° |
| C25 | C17 | C16 | C18 | 114.0° | 120.1° |
| C25 | C17 | C16 | H1 | 123.1° | 119.9° |
| C25 | C17 | C18 | H1 | 122.9° | 120.0° |
| C25 | C17 | C18 | P1 | 166.7° | 163.4° |
| C25 | C17 | C16 | H2 | 40.7° | 173.8° |
| C25 | C17 | C16 | H3 | 158.4° | 53.8° |
| C25 | C17 | C18 | H13 | 46.0° | 43.4° |
| C25 | C17 | C18 | H14 | 72.5° | 76.5° |
| C17 | C25 | N2 | H20 | 7.6° | 0.1° |
| C16 | C17 | C18 | H1 | 123.0° | 120.0° |
| C16 | C17 | C18 | P1 | 79.2° | 76.5° |
| C17 | C16 | H2 | H3 | 116.3° | 120.0° |
| C16 | C17 | C18 | H13 | 160.1° | 163.5° |
| C16 | C17 | C18 | H14 | 41.6° | 43.5° |
| C17 | C18 | P1 | H13 | 120.8° | 120.0° |
| C17 | C18 | P1 | H14 | 120.8° | 120.0° |
| C17 | C18 | P1 | O3 | 85.7° | 57.3° |
| C17 | C18 | P1 | O2 | 41.7° | 62.6° |
| C17 | C18 | P1 | C19 | 158.5° | 177.3° |
| C18 | C17 | C16 | H2 | 73.3° | 53.7° |
| C18 | C17 | C16 | H3 | 44.4° | 66.3° |
| C17 | C18 | H13 | H14 | 117.5° | 120.0° |
| C18 | P1 | O3 | O2 | 122.6° | 120.0° |
| C18 | P1 | O3 | C19 | 115.3° | 120.0° |
| C18 | P1 | O2 | C19 | 115.3° | 120.1° |
| C18 | P1 | C19 | C24 | 41.5° | 90.2° |
| C18 | P1 | C19 | C20 | 139.8° | 90.0° |
| P1 | C18 | C17 | H1 | 43.8° | 43.5° |
| P1 | C18 | H13 | H14 | 117.5° | 120.0° |
| C18 | P1 | O2 | H15 | 123.3° | 60.0° |
| O3 | P1 | O2 | C19 | 121.3° | 120.0° |
| O3 | P1 | C19 | C24 | 75.7° | 149.8° |
| O3 | P1 | C19 | C20 | 103.0° | 30.0° |
| O3 | P1 | C18 | H13 | 153.5° | 177.3° |
| O3 | P1 | C18 | H14 | 35.1° | 62.6° |
| O3 | P1 | O2 | H15 | 0.0° | 180.0° |
| O2 | P1 | C19 | C24 | 157.7° | 29.8° |
| O2 | P1 | C19 | C20 | 23.6° | 150.0° |
| O2 | P1 | C18 | H13 | 79.1° | 57.4° |
| O2 | P1 | C18 | H14 | 162.5° | 177.4° |
| P1 | C19 | C24 | C20 | 178.6° | 179.8° |
| P1 | C19 | C24 | C23 | 179.0° | 179.7° |
| P1 | C19 | C20 | C21 | 179.4° | 179.9° |
| C19 | P1 | C18 | H13 | 37.7° | 62.7° |
| C19 | P1 | C18 | H14 | 80.7° | 57.3° |
| C19 | P1 | O2 | H15 | 121.3° | 60.1° |
| P1 | C19 | C20 | H16 | 0.5° | 0.1° |
| P1 | C19 | C24 | H19 | 1.0° | 0.1° |
| C19 | C24 | C23 | H19 | 180.0° | 179.8° |
| C19 | C24 | C23 | C22 | 0.4° | 0.5° |
| C24 | C19 | C20 | C21 | 0.8° | 0.3° |
| C24 | C19 | C20 | H16 | 179.2° | 179.8° |
| C19 | C24 | C23 | H18 | 179.7° | 179.7° |
| C23 | C24 | C19 | C20 | 0.4° | 0.5° |
| C24 | C23 | C22 | H18 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 0.6° | 0.3° |
| C24 | C23 | C22 | BR1 | 179.7° | 179.7° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.5° | 0.1° |
| C19 | C20 | C21 | H17 | 179.5° | 180.0° |
| C20 | C19 | C24 | H19 | 179.6° | 179.7° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | BR1 | 179.7° | 180.0° |
| C23 | C22 | C21 | H17 | 179.8° | 180.0° |
| C22 | C23 | C24 | H19 | 179.6° | 179.7° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | BR1 | 179.9° | 179.9° |
| C22 | C21 | C20 | H16 | 179.5° | 179.9° |
| C21 | C22 | C23 | H18 | 179.4° | 180.0° |
| BR1 | C22 | C21 | H17 | 0.1° | 0.1° |
| BR1 | C22 | C23 | H18 | 0.3° | 0.1° |
| H1 | C17 | C16 | H2 | 163.7° | 66.3° |
| H1 | C17 | C16 | H3 | 78.6° | 173.7° |
| H1 | C17 | C18 | H13 | 77.0° | 76.5° |
| H1 | C17 | C18 | H14 | 164.6° | 163.5° |
| H5 | C11 | C10 | H6 | 0.6° | 0.0° |
| H7 | C8 | C9 | H8 | 0.6° | 0.0° |
| H10 | C3 | C4 | H11 | 0.1° | 0.0° |
| H11 | C4 | C5 | H12 | 0.8° | 0.0° |
| H16 | C20 | C21 | H17 | 0.5° | 0.1° |
| H18 | C23 | C24 | H19 | 0.3° | 0.1° |
| H20 | N2 | C26 | H21 | 159.1° | 145.0° |
| H21 | C26 | C27 | H22 | 63.4° | 60.0° |
| H21 | C26 | C27 | H23 | 176.6° | 60.0° |
| H21 | C26 | C27 | H24 | 56.7° | 179.9° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
| H25 | N3 | C31 | H26 | 124.0° | 145.1° |
| H26 | C31 | C32 | H27 | 60.8° | 180.0° |
| H26 | C31 | C32 | H28 | 179.2° | 60.0° |
| H26 | C31 | C32 | H29 | 59.2° | 60.1° |
| H27 | C32 | H28 | H29 | 120.0° | 119.9° |
