PRD_000830
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C22 | sing | 1.89Å | 1.55Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | P1 | sing | 1.81Å | 1.78Å | |
| O3 | P1 | doub | 1.48Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.50Å | |
| P1 | C18 | sing | 1.82Å | 1.78Å | |
| O5 | C29 | doub | 1.21Å | 1.25Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C29 | O6 | sing | 1.34Å | 1.25Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C25 | sing | 1.51Å | 1.48Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| N2 | C25 | sing | 1.35Å | 1.32Å | |
| N2 | C26 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | O4 | doub | 1.21Å | 1.21Å | |
| C15 | C14 | doub | 1.35Å | 1.38Å | Aromatic |
| C15 | O1 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.42Å | 1.40Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | N1 | sing | 1.21Å | 1.32Å | Aromatic |
| C13 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.47Å | |
| C10 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | O7 | doub | 1.21Å | 1.24Å | |
| C30 | N3 | sing | 1.35Å | 1.33Å | |
| CL1 | C1 | sing | 1.74Å | 1.78Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C31 | sing | 1.47Å | 1.46Å | |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C35 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C31 | sing | 1.51Å | 1.51Å | |
| C35 | O10 | doub | 1.21Å | 1.24Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.47Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C34 | O8 | doub | 1.21Å | 1.25Å | |
| C34 | O9 | sing | 1.34Å | 1.25Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| O6 | H32 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C22 | C21 | 118.1° | 120.0° |
| BR1 | C22 | C23 | 126.6° | 120.0° |
| C21 | C22 | C23 | 115.3° | 120.0° |
| C22 | C21 | C20 | 122.7° | 120.0° |
| C22 | C21 | H14 | 118.7° | 120.0° |
| C22 | C23 | C24 | 122.0° | 120.0° |
| C22 | C23 | H15 | 119.0° | 120.0° |
| C21 | C20 | C19 | 122.5° | 120.0° |
| C21 | C20 | H13 | 118.7° | 120.0° |
| C20 | C21 | H14 | 118.7° | 120.0° |
| C23 | C24 | C19 | 121.6° | 120.0° |
| C24 | C23 | H15 | 119.0° | 120.1° |
| C23 | C24 | H16 | 119.2° | 119.9° |
| C20 | C19 | C24 | 115.9° | 120.1° |
| C20 | C19 | P1 | 119.6° | 120.0° |
| C19 | C20 | H13 | 118.7° | 120.0° |
| C24 | C19 | P1 | 124.5° | 120.0° |
| C19 | C24 | H16 | 119.2° | 120.1° |
| C19 | P1 | O3 | 108.8° | 109.5° |
| C19 | P1 | O2 | 109.5° | 109.5° |
| C19 | P1 | C18 | 106.9° | 109.5° |
| O3 | P1 | O2 | 113.6° | 109.5° |
| O3 | P1 | C18 | 106.2° | 109.5° |
| O2 | P1 | C18 | 111.6° | 109.5° |
| P1 | O2 | H31 | 109.5° | 114.0° |
| P1 | C18 | C17 | 113.5° | 109.5° |
| P1 | C18 | H12 | 108.5° | 109.5° |
| P1 | C18 | H11 | 108.5° | 109.5° |
| O5 | C29 | O6 | 122.8° | 120.0° |
| O5 | C29 | C28 | 118.5° | 120.0° |
| C18 | C17 | C16 | 118.6° | 109.5° |
| C18 | C17 | C25 | 112.0° | 109.5° |
| C18 | C17 | H10 | 102.8° | 109.4° |
| C17 | C18 | H12 | 108.5° | 109.5° |
| C17 | C18 | H11 | 108.4° | 109.5° |
| O6 | C29 | C28 | 118.6° | 120.0° |
| C29 | O6 | H32 | 109.5° | 117.0° |
| C29 | C28 | C27 | 113.6° | 109.5° |
| C29 | C28 | H23 | 108.4° | 109.5° |
| C29 | C28 | H22 | 108.4° | 109.5° |
| C28 | C27 | C26 | 111.7° | 109.5° |
| C28 | C27 | H20 | 108.9° | 109.5° |
| C28 | C27 | H21 | 108.9° | 109.5° |
| C27 | C28 | H23 | 108.4° | 109.5° |
| C27 | C28 | H22 | 108.4° | 109.5° |
| C16 | C17 | C25 | 115.0° | 109.5° |
| C17 | C16 | C15 | 118.7° | 109.5° |
| C16 | C17 | H10 | 102.8° | 109.4° |
| C17 | C16 | H8 | 107.1° | 109.5° |
| C17 | C16 | H9 | 107.1° | 109.5° |
| C17 | C25 | N2 | 119.3° | 120.0° |
| C17 | C25 | O4 | 116.7° | 120.0° |
| C25 | C17 | H10 | 103.1° | 109.5° |
| C16 | C15 | C14 | 134.2° | 126.6° |
| C16 | C15 | O1 | 120.9° | 126.6° |
| C15 | C16 | H8 | 107.1° | 109.5° |
| C15 | C16 | H9 | 107.1° | 109.4° |
| C25 | N2 | C26 | 120.2° | 120.0° |
| N2 | C25 | O4 | 123.9° | 120.0° |
| C25 | N2 | H24 | 119.9° | 120.0° |
| N2 | C26 | C27 | 109.7° | 109.5° |
| N2 | C26 | C30 | 112.7° | 109.4° |
| C26 | N2 | H24 | 119.9° | 120.0° |
| N2 | C26 | H19 | 108.2° | 109.4° |
| C27 | C26 | C30 | 111.1° | 109.5° |
| C27 | C26 | H19 | 107.4° | 109.5° |
| C26 | C27 | H20 | 108.9° | 109.5° |
| C26 | C27 | H21 | 108.9° | 109.5° |
| C14 | C15 | O1 | 104.8° | 106.7° |
| C15 | C14 | C13 | 105.7° | 103.9° |
| C15 | C14 | H7 | 127.1° | 128.0° |
| C15 | O1 | N1 | 114.5° | 111.9° |
| C14 | C13 | N1 | 110.5° | 106.1° |
| C14 | C13 | C12 | 129.0° | 127.0° |
| C13 | C14 | H7 | 127.2° | 128.0° |
| C26 | C30 | O7 | 121.0° | 120.0° |
| C26 | C30 | N3 | 116.2° | 120.0° |
| C30 | C26 | H19 | 107.5° | 109.5° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C11 | C10 | C7 | 120.1° | 120.0° |
| C10 | C11 | H17 | 120.5° | 120.0° |
| C11 | C10 | H18 | 119.9° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C11 | C12 | C9 | 121.3° | 120.0° |
| C12 | C11 | H17 | 120.5° | 120.0° |
| O1 | N1 | C13 | 104.5° | 111.4° |
| N1 | C13 | C12 | 120.3° | 127.0° |
| C13 | C12 | C9 | 119.0° | 120.0° |
| C10 | C7 | C6 | 119.0° | 120.0° |
| C10 | C7 | C8 | 120.7° | 120.0° |
| C7 | C10 | H18 | 120.0° | 120.0° |
| C12 | C9 | C8 | 119.5° | 120.0° |
| C12 | C9 | H6 | 120.2° | 120.0° |
| O7 | C30 | N3 | 122.8° | 120.0° |
| C30 | N3 | C31 | 120.3° | 120.0° |
| C30 | N3 | H25 | 119.8° | 120.0° |
| CL1 | C1 | C2 | 117.5° | 119.9° |
| CL1 | C1 | C3 | 121.2° | 120.0° |
| C1 | C2 | C6 | 119.2° | 119.9° |
| C2 | C1 | C3 | 121.3° | 120.1° |
| C1 | C2 | H1 | 120.4° | 120.1° |
| C2 | C6 | C7 | 118.7° | 120.1° |
| C2 | C6 | C5 | 120.3° | 119.8° |
| C6 | C2 | H1 | 120.4° | 120.1° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | C5 | 120.9° | 120.1° |
| C7 | C8 | C9 | 119.4° | 120.0° |
| C7 | C8 | H5 | 120.3° | 120.0° |
| C9 | C8 | H5 | 120.3° | 120.0° |
| C8 | C9 | H6 | 120.3° | 120.0° |
| N3 | C31 | C35 | 110.9° | 109.5° |
| N3 | C31 | C32 | 110.6° | 109.5° |
| C31 | N3 | H25 | 119.8° | 120.0° |
| N3 | C31 | H26 | 109.6° | 109.4° |
| C1 | C3 | C4 | 119.7° | 120.3° |
| C1 | C3 | H2 | 120.1° | 119.9° |
| C6 | C5 | C4 | 120.4° | 119.9° |
| C6 | C5 | H4 | 119.8° | 120.1° |
| N4 | C35 | C31 | 115.2° | 120.0° |
| N4 | C35 | O10 | 123.8° | 120.0° |
| C35 | N4 | H34 | 120.0° | 119.9° |
| C35 | N4 | H35 | 120.0° | 120.1° |
| C3 | C4 | C5 | 119.2° | 120.1° |
| C4 | C3 | H2 | 120.2° | 119.8° |
| C3 | C4 | H3 | 120.4° | 120.0° |
| C5 | C4 | H3 | 120.4° | 119.9° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C31 | C35 | O10 | 121.0° | 120.0° |
| C35 | C31 | C32 | 107.8° | 109.5° |
| C35 | C31 | H26 | 108.9° | 109.5° |
| C31 | C32 | C33 | 113.2° | 109.4° |
| C32 | C31 | H26 | 108.8° | 109.4° |
| C31 | C32 | H27 | 108.5° | 109.4° |
| C31 | C32 | H28 | 108.5° | 109.4° |
| C32 | C33 | C34 | 111.9° | 109.4° |
| C33 | C32 | H27 | 108.5° | 109.5° |
| C33 | C32 | H28 | 108.5° | 109.5° |
| C32 | C33 | H30 | 108.8° | 109.5° |
| C32 | C33 | H29 | 108.9° | 109.5° |
| C33 | C34 | O8 | 117.8° | 120.0° |
| C33 | C34 | O9 | 118.3° | 120.0° |
| C34 | C33 | H30 | 108.8° | 109.4° |
| C34 | C33 | H29 | 108.9° | 109.5° |
| O8 | C34 | O9 | 123.9° | 120.0° |
| C34 | O9 | H33 | 109.5° | 117.0° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H12 | C18 | H11 | 109.4° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H23 | C28 | H22 | 109.5° | 109.4° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H30 | C33 | H29 | 109.5° | 109.5° |
| H34 | N4 | H35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C22 | C21 | C23 | 179.7° | 180.0° |
| BR1 | C22 | C21 | C20 | 180.0° | 180.0° |
| BR1 | C22 | C23 | C24 | 179.7° | 179.7° |
| BR1 | C22 | C21 | H14 | 0.0° | 0.0° |
| BR1 | C22 | C23 | H15 | 0.2° | 0.0° |
| C22 | C21 | C20 | H14 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C22 | C21 | C20 | C19 | 0.4° | 0.0° |
| C22 | C21 | C20 | H13 | 179.6° | 180.0° |
| C21 | C22 | C23 | H15 | 179.4° | 180.0° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C22 | C23 | C24 | H15 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.9° | 0.5° |
| C23 | C22 | C21 | H14 | 179.6° | 179.9° |
| C22 | C23 | C24 | H16 | 179.1° | 180.0° |
| C21 | C20 | C19 | H13 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 0.7° | 0.2° |
| C21 | C20 | C19 | P1 | 179.6° | 180.0° |
| C23 | C24 | C19 | C20 | 0.9° | 0.5° |
| C23 | C24 | C19 | H16 | 180.0° | 179.5° |
| C23 | C24 | C19 | P1 | 179.8° | 179.8° |
| C20 | C19 | C24 | P1 | 178.9° | 179.7° |
| C20 | C19 | P1 | O3 | 7.7° | 30.0° |
| C20 | C19 | P1 | O2 | 117.0° | 150.0° |
| C20 | C19 | P1 | C18 | 122.0° | 90.0° |
| C19 | C20 | C21 | H14 | 179.6° | 180.0° |
| C20 | C19 | C24 | H16 | 179.1° | 180.0° |
| C24 | C19 | P1 | O3 | 173.5° | 150.3° |
| C24 | C19 | P1 | O2 | 61.9° | 30.3° |
| C24 | C19 | P1 | C18 | 59.1° | 89.7° |
| C24 | C19 | C20 | H13 | 179.4° | 179.7° |
| C19 | C24 | C23 | H15 | 179.1° | 179.7° |
| C19 | P1 | O3 | O2 | 122.2° | 120.0° |
| C19 | P1 | O3 | C18 | 114.8° | 120.0° |
| C19 | P1 | O2 | C18 | 118.2° | 120.0° |
| C19 | P1 | C18 | C17 | 170.5° | 175.9° |
| C19 | P1 | C18 | H12 | 68.9° | 56.0° |
| C19 | P1 | C18 | H11 | 49.9° | 64.0° |
| C19 | P1 | O2 | H31 | 121.8° | 59.3° |
| P1 | C19 | C20 | H13 | 0.4° | 0.0° |
| P1 | C19 | C24 | H16 | 0.2° | 0.3° |
| O3 | P1 | O2 | C18 | 120.1° | 120.0° |
| O3 | P1 | C18 | C17 | 54.5° | 56.0° |
| O3 | P1 | C18 | H12 | 175.1° | 64.0° |
| O3 | P1 | C18 | H11 | 66.1° | 176.0° |
| O3 | P1 | O2 | H31 | 0.0° | 179.3° |
| O2 | P1 | C18 | C17 | 69.8° | 64.1° |
| O2 | P1 | C18 | H12 | 50.8° | 175.9° |
| O2 | P1 | C18 | H11 | 169.6° | 55.9° |
| P1 | C18 | C17 | H12 | 120.6° | 120.0° |
| P1 | C18 | C17 | H11 | 120.6° | 120.0° |
| P1 | C18 | C17 | C16 | 60.6° | 76.3° |
| P1 | C18 | C17 | C25 | 161.8° | 163.7° |
| P1 | C18 | C17 | H10 | 51.8° | 43.7° |
| P1 | C18 | H12 | H11 | 118.2° | 120.0° |
| C18 | P1 | O2 | H31 | 120.0° | 60.7° |
| O5 | C29 | O6 | C28 | 177.7° | 180.0° |
| O5 | C29 | C28 | C27 | 77.0° | 0.0° |
| O5 | C29 | C28 | H23 | 43.6° | 120.0° |
| O5 | C29 | C28 | H22 | 162.4° | 120.0° |
| O5 | C29 | O6 | H32 | 0.0° | 0.0° |
| C18 | C17 | C16 | C25 | 136.4° | 120.0° |
| C18 | C17 | C16 | H10 | 112.4° | 119.9° |
| C18 | C17 | C25 | H10 | 109.7° | 120.0° |
| C18 | C17 | C16 | C15 | 156.6° | 173.7° |
| C18 | C17 | C25 | N2 | 84.0° | 60.0° |
| C18 | C17 | C25 | O4 | 92.7° | 120.0° |
| C18 | C17 | C16 | H8 | 35.3° | 53.7° |
| C18 | C17 | C16 | H9 | 82.1° | 66.3° |
| C17 | C18 | H12 | H11 | 118.1° | 120.0° |
| O6 | C29 | C28 | C27 | 105.2° | 180.0° |
| O6 | C29 | C28 | H23 | 134.2° | 60.0° |
| O6 | C29 | C28 | H22 | 15.5° | 60.0° |
| C29 | C28 | C27 | H23 | 120.6° | 120.0° |
| C29 | C28 | C27 | H22 | 120.6° | 120.0° |
| C29 | C28 | C27 | C26 | 179.6° | 180.0° |
| C29 | C28 | C27 | H20 | 60.0° | 60.0° |
| C29 | C28 | C27 | H21 | 59.3° | 60.0° |
| C29 | C28 | H23 | H22 | 118.1° | 120.0° |
| C28 | C29 | O6 | H32 | 177.7° | 180.0° |
| C28 | C27 | C26 | N2 | 68.5° | 65.0° |
| C28 | C27 | C26 | H20 | 120.4° | 120.0° |
| C28 | C27 | C26 | H21 | 120.3° | 120.0° |
| C28 | C27 | C26 | C30 | 166.2° | 175.0° |
| C28 | C27 | C26 | H19 | 48.9° | 55.0° |
| C28 | C27 | H20 | H21 | 118.9° | 120.0° |
| C27 | C28 | H23 | H22 | 118.1° | 120.0° |
| C16 | C17 | C25 | H10 | 111.0° | 120.0° |
| C17 | C16 | C15 | H8 | 121.3° | 120.0° |
| C17 | C16 | C15 | H9 | 121.3° | 120.0° |
| C16 | C17 | C25 | N2 | 136.7° | 180.0° |
| C16 | C17 | C25 | O4 | 46.5° | 0.0° |
| C17 | C16 | C15 | C14 | 28.5° | 84.4° |
| C17 | C16 | C15 | O1 | 155.9° | 95.5° |
| C17 | C16 | H8 | H9 | 115.8° | 120.0° |
| C16 | C17 | C18 | H12 | 60.0° | 163.7° |
| C16 | C17 | C18 | H11 | 178.8° | 43.8° |
| C25 | C17 | C16 | C15 | 67.0° | 66.3° |
| C17 | C25 | N2 | O4 | 176.5° | 180.0° |
| C17 | C25 | N2 | C26 | 169.1° | 180.0° |
| C25 | C17 | C16 | H8 | 171.7° | 173.7° |
| C25 | C17 | C16 | H9 | 54.3° | 53.7° |
| C25 | C17 | C18 | H12 | 77.6° | 43.7° |
| C25 | C17 | C18 | H11 | 41.2° | 76.3° |
| C17 | C25 | N2 | H24 | 11.0° | 0.1° |
| C16 | C15 | C14 | O1 | 176.1° | 179.9° |
| C16 | C15 | C14 | C13 | 177.7° | 180.0° |
| C16 | C15 | O1 | N1 | 177.6° | 180.0° |
| C15 | C16 | C17 | H10 | 44.2° | 53.8° |
| C15 | C16 | H8 | H9 | 115.8° | 119.9° |
| C16 | C15 | C14 | H7 | 2.3° | 0.1° |
| C25 | N2 | C26 | H24 | 180.0° | 179.9° |
| C25 | N2 | C26 | C27 | 139.2° | 85.0° |
| C25 | N2 | C26 | C30 | 96.3° | 155.0° |
| N2 | C25 | C17 | H10 | 25.7° | 60.0° |
| C25 | N2 | C26 | H19 | 22.4° | 35.1° |
| N2 | C26 | C27 | C30 | 125.3° | 120.0° |
| N2 | C26 | C27 | H19 | 117.4° | 120.0° |
| C26 | N2 | C25 | O4 | 7.4° | 0.1° |
| N2 | C26 | C30 | H19 | 119.2° | 119.9° |
| N2 | C26 | C30 | O7 | 33.5° | 0.0° |
| N2 | C26 | C30 | N3 | 147.5° | 180.0° |
| N2 | C26 | C27 | H20 | 171.1° | 55.0° |
| N2 | C26 | C27 | H21 | 51.8° | 175.0° |
| C27 | C26 | C30 | H19 | 117.2° | 120.1° |
| C27 | C26 | C30 | O7 | 90.1° | 120.0° |
| C27 | C26 | C30 | N3 | 88.9° | 60.0° |
| C27 | C26 | N2 | H24 | 40.8° | 94.9° |
| C26 | C27 | H20 | H21 | 119.0° | 120.0° |
| C26 | C27 | C28 | H23 | 59.0° | 60.0° |
| C26 | C27 | C28 | H22 | 59.8° | 60.0° |
| O4 | C25 | C17 | H10 | 157.5° | 120.0° |
| O4 | C25 | N2 | H24 | 172.6° | 179.9° |
| C15 | C14 | C13 | H7 | 180.0° | 179.9° |
| C14 | C15 | O1 | N1 | 0.9° | 0.1° |
| C15 | C14 | C13 | N1 | 1.8° | 0.1° |
| C15 | C14 | C13 | C12 | 177.0° | 180.0° |
| C14 | C15 | C16 | H8 | 92.8° | 35.6° |
| C14 | C15 | C16 | H9 | 149.8° | 155.6° |
| O1 | C15 | C14 | C13 | 1.6° | 0.1° |
| C15 | O1 | N1 | C13 | 0.3° | 0.0° |
| O1 | C15 | C16 | H8 | 82.8° | 144.5° |
| O1 | C15 | C16 | H9 | 34.6° | 24.5° |
| O1 | C15 | C14 | H7 | 178.5° | 180.0° |
| C14 | C13 | C12 | C11 | 11.2° | 0.4° |
| C14 | C13 | N1 | O1 | 1.3° | 0.0° |
| C14 | C13 | N1 | C12 | 175.7° | 179.9° |
| C14 | C13 | C12 | C9 | 173.7° | 180.0° |
| C26 | C30 | O7 | N3 | 178.9° | 180.0° |
| C26 | C30 | N3 | C31 | 174.5° | 180.0° |
| C30 | C26 | N2 | H24 | 83.7° | 25.1° |
| C30 | C26 | C27 | H20 | 45.8° | 65.0° |
| C30 | C26 | C27 | H21 | 73.5° | 55.0° |
| C26 | C30 | N3 | H25 | 5.5° | 0.0° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 177.6° | 180.0° |
| C11 | C10 | C7 | H18 | 180.0° | 180.0° |
| C10 | C11 | C12 | C9 | 2.7° | 0.3° |
| C11 | C10 | C7 | C6 | 178.6° | 180.0° |
| C11 | C10 | C7 | C8 | 1.7° | 0.0° |
| C11 | C12 | C13 | N1 | 163.6° | 179.7° |
| C11 | C12 | C13 | C9 | 175.1° | 179.7° |
| C12 | C11 | C10 | C7 | 0.3° | 0.0° |
| C11 | C12 | C9 | C8 | 3.0° | 0.6° |
| C12 | C11 | C10 | H18 | 179.7° | 180.0° |
| C11 | C12 | C9 | H6 | 176.9° | 179.7° |
| O1 | N1 | C13 | C12 | 177.0° | 180.0° |
| N1 | C13 | C12 | C9 | 11.5° | 0.1° |
| N1 | C13 | C14 | H7 | 178.2° | 180.0° |
| C13 | C12 | C9 | C8 | 178.0° | 179.7° |
| C12 | C13 | C14 | H7 | 3.0° | 0.1° |
| C13 | C12 | C11 | H17 | 2.4° | 0.0° |
| C13 | C12 | C9 | H6 | 2.0° | 0.0° |
| C10 | C7 | C6 | C2 | 21.3° | 180.0° |
| C10 | C7 | C6 | C8 | 176.9° | 180.0° |
| C10 | C7 | C8 | C9 | 1.3° | 0.2° |
| C10 | C7 | C6 | C5 | 154.1° | 0.0° |
| C7 | C10 | C11 | H17 | 179.7° | 180.0° |
| C10 | C7 | C8 | H5 | 178.7° | 180.0° |
| C12 | C9 | C8 | C7 | 1.0° | 0.5° |
| C12 | C9 | C8 | H6 | 180.0° | 179.7° |
| C9 | C12 | C11 | H17 | 177.3° | 179.7° |
| C12 | C9 | C8 | H5 | 179.0° | 179.7° |
| O7 | C30 | N3 | C31 | 4.4° | 0.0° |
| O7 | C30 | C26 | H19 | 152.7° | 120.0° |
| O7 | C30 | N3 | H25 | 175.6° | 180.0° |
| C30 | N3 | C31 | H25 | 180.0° | 180.0° |
| C30 | N3 | C31 | C35 | 60.2° | 85.0° |
| C30 | N3 | C31 | C32 | 179.8° | 155.0° |
| N3 | C30 | C26 | H19 | 28.3° | 60.0° |
| C30 | N3 | C31 | H26 | 60.1° | 35.0° |
| CL1 | C1 | C2 | C3 | 179.8° | 179.7° |
| CL1 | C1 | C2 | C6 | 178.9° | 180.0° |
| CL1 | C1 | C3 | C4 | 179.9° | 180.0° |
| CL1 | C1 | C2 | H1 | 1.1° | 0.0° |
| CL1 | C1 | C3 | H2 | 0.1° | 0.0° |
| C1 | C2 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C6 | C7 | 177.8° | 180.0° |
| C1 | C2 | C6 | C5 | 2.4° | 0.0° |
| C2 | C1 | C3 | C4 | 0.1° | 0.3° |
| C2 | C1 | C3 | H2 | 179.9° | 179.8° |
| C2 | C6 | C7 | C5 | 175.4° | 180.0° |
| C2 | C6 | C7 | C8 | 161.8° | 0.0° |
| C6 | C2 | C1 | C3 | 1.3° | 0.3° |
| C2 | C6 | C5 | C4 | 2.4° | 0.3° |
| C2 | C6 | C5 | H4 | 177.6° | 180.0° |
| C6 | C7 | C8 | C9 | 178.2° | 179.7° |
| C7 | C6 | C5 | C4 | 177.7° | 179.8° |
| C6 | C7 | C10 | H18 | 1.4° | 0.0° |
| C6 | C7 | C8 | H5 | 1.8° | 0.0° |
| C7 | C6 | C2 | H1 | 2.1° | 0.0° |
| C7 | C6 | C5 | H4 | 2.3° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 22.8° | 180.0° |
| C8 | C7 | C10 | H18 | 178.3° | 180.0° |
| C7 | C8 | C9 | H6 | 179.0° | 179.7° |
| N3 | C31 | C35 | N4 | 46.8° | 180.0° |
| N3 | C31 | C35 | C32 | 121.3° | 120.0° |
| N3 | C31 | C35 | H26 | 120.8° | 120.0° |
| N3 | C31 | C35 | O10 | 134.4° | 0.0° |
| N3 | C31 | C32 | H26 | 120.5° | 120.0° |
| N3 | C31 | C32 | C33 | 75.8° | 65.0° |
| N3 | C31 | C32 | H27 | 44.7° | 55.0° |
| N3 | C31 | C32 | H28 | 163.6° | 175.0° |
| C1 | C3 | C4 | H2 | 180.0° | 180.0° |
| C1 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C1 | C2 | H1 | 178.7° | 179.7° |
| C1 | C3 | C4 | H3 | 179.9° | 179.9° |
| C6 | C5 | C4 | C3 | 1.2° | 0.2° |
| C6 | C5 | C4 | H4 | 180.0° | 179.7° |
| C5 | C6 | C2 | H1 | 177.6° | 180.0° |
| C6 | C5 | C4 | H3 | 178.8° | 179.6° |
| N4 | C35 | C31 | O10 | 178.8° | 179.9° |
| N4 | C35 | C31 | C32 | 74.4° | 60.0° |
| N4 | C35 | C31 | H26 | 167.6° | 60.0° |
| C35 | N4 | H34 | H35 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | H4 | 178.8° | 180.0° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C35 | C31 | C32 | H26 | 118.0° | 120.0° |
| C35 | C31 | C32 | C33 | 162.7° | 175.0° |
| C35 | C31 | N3 | H25 | 119.8° | 95.0° |
| C35 | C31 | C32 | H27 | 76.8° | 65.0° |
| C35 | C31 | C32 | H28 | 42.1° | 55.0° |
| C31 | C35 | N4 | H34 | 178.7° | 0.0° |
| C31 | C35 | N4 | H35 | 1.2° | 180.0° |
| O10 | C35 | C31 | C32 | 104.3° | 120.1° |
| O10 | C35 | C31 | H26 | 13.6° | 120.0° |
| O10 | C35 | N4 | H34 | 0.0° | 180.0° |
| O10 | C35 | N4 | H35 | 180.0° | 0.1° |
| C31 | C32 | C33 | H27 | 120.6° | 119.9° |
| C31 | C32 | C33 | H28 | 120.6° | 120.0° |
| C31 | C32 | C33 | C34 | 164.7° | 180.0° |
| C32 | C31 | N3 | H25 | 0.2° | 25.0° |
| C31 | C32 | H27 | H28 | 118.3° | 120.0° |
| C31 | C32 | C33 | H30 | 44.4° | 60.1° |
| C31 | C32 | C33 | H29 | 74.9° | 60.0° |
| C32 | C33 | C34 | H30 | 120.4° | 119.9° |
| C32 | C33 | C34 | H29 | 120.4° | 120.1° |
| C32 | C33 | C34 | O8 | 31.2° | 0.0° |
| C32 | C33 | C34 | O9 | 149.2° | 180.0° |
| C33 | C32 | C31 | H26 | 44.7° | 55.0° |
| C33 | C32 | H27 | H28 | 118.3° | 120.1° |
| C32 | C33 | H30 | H29 | 118.9° | 120.1° |
| C33 | C34 | O8 | O9 | 179.6° | 180.0° |
| C34 | C33 | C32 | H27 | 74.7° | 60.1° |
| C34 | C33 | C32 | H28 | 44.2° | 60.0° |
| C34 | C33 | H30 | H29 | 118.9° | 120.0° |
| C33 | C34 | O9 | H33 | 179.6° | 180.0° |
| O8 | C34 | C33 | H30 | 151.5° | 120.0° |
| O8 | C34 | C33 | H29 | 89.2° | 120.0° |
| O8 | C34 | O9 | H33 | 0.0° | 0.0° |
| O9 | C34 | C33 | H30 | 28.8° | 60.0° |
| O9 | C34 | C33 | H29 | 90.4° | 59.9° |
| H10 | C17 | C16 | H8 | 77.1° | 66.2° |
| H10 | C17 | C16 | H9 | 165.5° | 173.7° |
| H10 | C17 | C18 | H12 | 172.4° | 76.3° |
| H10 | C17 | C18 | H11 | 68.8° | 163.7° |
| H17 | C11 | C10 | H18 | 0.3° | 0.0° |
| H5 | C8 | C9 | H6 | 1.1° | 0.0° |
| H2 | C3 | C4 | H3 | 0.1° | 0.1° |
| H3 | C4 | C5 | H4 | 1.2° | 0.1° |
| H13 | C20 | C21 | H14 | 0.4° | 0.1° |
| H15 | C23 | C24 | H16 | 0.9° | 0.2° |
| H24 | N2 | C26 | H19 | 157.6° | 145.0° |
| H19 | C26 | C27 | H20 | 71.4° | 175.0° |
| H19 | C26 | C27 | H21 | 169.2° | 65.0° |
| H20 | C27 | C28 | H23 | 179.3° | 180.0° |
| H20 | C27 | C28 | H22 | 60.6° | 60.0° |
| H21 | C27 | C28 | H23 | 61.4° | 60.0° |
| H21 | C27 | C28 | H22 | 179.9° | 179.9° |
| H25 | N3 | C31 | H26 | 119.9° | 145.0° |
| H26 | C31 | C32 | H27 | 165.2° | 175.0° |
| H26 | C31 | C32 | H28 | 75.9° | 65.0° |
| H27 | C32 | C33 | H30 | 164.9° | 180.0° |
| H27 | C32 | C33 | H29 | 45.7° | 60.0° |
| H28 | C32 | C33 | H30 | 76.2° | 59.9° |
| H28 | C32 | C33 | H29 | 164.6° | 180.0° |
