A1JJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | O12 | sing | 1.36Å | 1.40Å | |
| C21 | O12 | sing | 1.36Å | 1.40Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.49Å | |
| N1 | C15 | sing | 1.35Å | 1.33Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C15 | O3 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O8 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| O1A | C1 | doub | 1.21Å | 1.24Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O18 | C29 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C1 | O1B | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O6 | C2 | sing | 1.43Å | 1.42Å | |
| N5 | C10 | sing | 1.35Å | 1.34Å | |
| N5 | C5 | sing | 1.47Å | 1.45Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C31 | O2 | sing | 1.43Å | 1.43Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O17 | C28 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C30 | O14 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| O14 | C26 | sing | 1.43Å | 1.41Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | O16 | sing | 1.43Å | 1.42Å | |
| C26 | O13 | sing | 1.43Å | 1.40Å | |
| O19 | C34 | sing | 1.43Å | 1.42Å | |
| O13 | C35 | sing | 1.43Å | 1.44Å | |
| C39 | C16 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| N3 | C16 | sing | 1.35Å | 1.34Å | |
| N3 | C33 | sing | 1.46Å | 1.45Å | |
| C16 | O5 | doub | 1.21Å | 1.23Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | O11 | sing | 1.43Å | 1.43Å | |
| C32 | O11 | sing | 1.43Å | 1.41Å | |
| C32 | O1 | sing | 1.43Å | 1.40Å | |
| C37 | O20 | sing | 1.43Å | 1.42Å | |
| O1 | C38 | sing | 1.43Å | 1.43Å | |
| C38 | C40 | sing | 1.53Å | 1.50Å | |
| N4 | C40 | sing | 1.47Å | 1.48Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C37 | H11 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.08Å | 1.08Å | |
| C24 | H42 | sing | 1.08Å | 1.08Å | |
| C25 | H43 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N3 | H46 | sing | 0.97Å | 1.00Å | |
| N4 | H47 | sing | 1.01Å | 1.00Å | |
| N4 | H48 | sing | 1.01Å | 1.00Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O16 | H53 | sing | 0.97Å | 0.95Å | |
| O17 | H54 | sing | 0.97Å | 0.95Å | |
| O18 | H55 | sing | 0.97Å | 0.95Å | |
| O19 | H56 | sing | 0.97Å | 0.95Å | |
| O20 | H57 | sing | 0.97Å | 0.95Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C25 | C24 | 120.5° | 120.1° |
| C25 | C14 | C17 | 120.0° | 120.1° |
| C25 | C14 | H2 | 120.0° | 120.0° |
| C14 | C25 | H43 | 119.8° | 120.0° |
| C25 | C24 | C23 | 119.3° | 119.9° |
| C25 | C24 | H42 | 120.4° | 120.0° |
| C24 | C25 | H43 | 119.8° | 119.9° |
| C14 | C17 | C12 | 120.5° | 120.1° |
| C17 | C14 | H2 | 120.0° | 119.9° |
| C14 | C17 | H3 | 119.8° | 119.9° |
| C24 | C23 | C12 | 120.6° | 119.9° |
| C24 | C23 | O12 | 120.1° | 120.0° |
| C23 | C24 | H42 | 120.4° | 120.1° |
| C17 | C12 | C23 | 119.2° | 119.9° |
| C12 | C17 | H3 | 119.7° | 120.0° |
| C17 | C12 | H1 | 120.4° | 120.1° |
| C19 | C20 | C21 | 119.2° | 120.3° |
| C20 | C19 | C18 | 120.5° | 120.2° |
| C20 | C19 | H22 | 119.7° | 119.9° |
| C19 | C20 | H38 | 120.4° | 119.9° |
| C20 | C21 | O12 | 122.5° | 120.0° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C21 | C20 | H38 | 120.4° | 119.9° |
| C19 | C18 | C13 | 120.3° | 120.0° |
| C19 | C18 | H9 | 119.9° | 120.0° |
| C18 | C19 | H22 | 119.8° | 119.9° |
| C12 | C23 | O12 | 119.4° | 120.0° |
| C23 | C12 | H1 | 120.4° | 120.0° |
| C23 | O12 | C21 | 121.5° | 118.0° |
| O12 | C21 | C22 | 116.8° | 120.0° |
| C21 | C22 | C13 | 119.8° | 119.8° |
| C21 | C22 | H41 | 120.1° | 120.1° |
| C18 | C13 | C22 | 119.5° | 119.7° |
| C18 | C13 | C15 | 121.3° | 120.1° |
| C13 | C18 | H9 | 119.8° | 120.0° |
| C22 | C13 | C15 | 119.2° | 120.1° |
| C13 | C22 | H41 | 120.1° | 120.1° |
| C13 | C15 | N1 | 116.8° | 120.0° |
| C13 | C15 | O3 | 121.0° | 120.0° |
| C15 | N1 | C9 | 122.1° | 120.0° |
| N1 | C15 | O3 | 122.2° | 120.0° |
| C15 | N1 | H12 | 118.9° | 120.0° |
| N1 | C9 | C8 | 111.3° | 109.5° |
| N1 | C9 | H91 | 109.0° | 109.5° |
| N1 | C9 | H92 | 109.0° | 109.4° |
| C9 | N1 | H12 | 119.0° | 120.0° |
| C9 | C8 | O8 | 109.8° | 109.5° |
| C9 | C8 | C7 | 111.5° | 109.4° |
| C9 | C8 | H8 | 108.4° | 109.4° |
| C8 | C9 | H91 | 109.0° | 109.5° |
| C8 | C9 | H92 | 109.0° | 109.5° |
| O8 | C8 | C7 | 109.2° | 109.5° |
| O8 | C8 | H8 | 109.7° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 113.9° |
| C8 | C7 | O7 | 109.0° | 109.5° |
| C8 | C7 | C6 | 111.8° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| O7 | C7 | C6 | 110.1° | 109.4° |
| O7 | C7 | H7 | 109.6° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C6 | O6 | 107.4° | 109.4° |
| C7 | C6 | C5 | 114.8° | 109.5° |
| C7 | C6 | H6 | 108.6° | 109.5° |
| C6 | C7 | H7 | 108.2° | 109.4° |
| O1A | C1 | O1B | 126.6° | 119.9° |
| O1A | C1 | C2 | 118.0° | 120.0° |
| O6 | C6 | C5 | 107.5° | 109.4° |
| C6 | O6 | C2 | 114.5° | 114.1° |
| O6 | C6 | H6 | 109.8° | 109.5° |
| C6 | C5 | N5 | 111.3° | 109.5° |
| C6 | C5 | C4 | 107.4° | 109.2° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| O18 | C29 | C30 | 108.8° | 109.5° |
| O18 | C29 | C28 | 110.5° | 109.5° |
| O18 | C29 | H21 | 110.2° | 109.6° |
| C29 | O18 | H55 | 109.5° | 114.0° |
| C11 | C10 | N5 | 115.9° | 119.9° |
| C11 | C10 | O10 | 122.1° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| O1B | C1 | C2 | 115.4° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C1 | C2 | O6 | 109.0° | 109.5° |
| C1 | C2 | O2 | 107.6° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| O6 | C2 | O2 | 110.5° | 109.5° |
| O6 | C2 | C3 | 111.2° | 109.4° |
| C10 | N5 | C5 | 122.9° | 120.0° |
| N5 | C10 | O10 | 122.0° | 120.0° |
| C10 | N5 | HN5 | 118.6° | 120.0° |
| N5 | C5 | C4 | 110.7° | 109.5° |
| N5 | C5 | H5 | 109.8° | 109.6° |
| C5 | N5 | HN5 | 118.5° | 120.0° |
| C5 | C4 | C3 | 108.6° | 109.1° |
| C5 | C4 | O4 | 109.0° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.6° |
| O2 | C31 | C30 | 107.6° | 109.5° |
| C31 | O2 | C2 | 116.1° | 114.0° |
| O2 | C31 | H24 | 109.9° | 109.5° |
| O2 | C31 | H25 | 109.9° | 109.5° |
| C31 | C30 | C29 | 112.3° | 109.5° |
| C31 | C30 | O14 | 106.8° | 109.5° |
| C31 | C30 | H23 | 109.2° | 109.4° |
| C30 | C31 | H24 | 109.9° | 109.5° |
| C30 | C31 | H25 | 109.9° | 109.5° |
| C30 | C29 | C28 | 109.8° | 109.2° |
| C29 | C30 | O14 | 109.4° | 109.5° |
| C30 | C29 | H21 | 108.8° | 109.5° |
| C29 | C30 | H23 | 108.9° | 109.5° |
| C29 | C28 | O17 | 110.5° | 109.6° |
| C29 | C28 | C27 | 110.8° | 109.0° |
| C29 | C28 | H20 | 108.1° | 109.5° |
| C28 | C29 | H21 | 108.8° | 109.5° |
| O2 | C2 | C3 | 106.3° | 109.5° |
| C2 | C3 | C4 | 111.0° | 109.2° |
| C2 | C3 | H31 | 109.1° | 109.5° |
| C2 | C3 | H32 | 109.1° | 109.6° |
| O17 | C28 | C27 | 109.9° | 109.5° |
| O17 | C28 | H20 | 109.4° | 109.6° |
| C28 | O17 | H54 | 109.5° | 114.0° |
| C3 | C4 | O4 | 111.1° | 109.5° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C4 | C3 | H31 | 109.1° | 109.6° |
| C4 | C3 | H32 | 109.1° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | H4 | 110.3° | 109.6° |
| C30 | O14 | C26 | 113.4° | 114.1° |
| O14 | C30 | H23 | 110.2° | 109.5° |
| C28 | C27 | C26 | 110.2° | 109.1° |
| C28 | C27 | O16 | 109.9° | 109.5° |
| C28 | C27 | H19 | 108.6° | 109.6° |
| C27 | C28 | H20 | 108.1° | 109.5° |
| O14 | C26 | C27 | 110.5° | 109.4° |
| O14 | C26 | O13 | 109.1° | 109.5° |
| O14 | C26 | H18 | 110.3° | 109.5° |
| C26 | C27 | O16 | 109.6° | 109.5° |
| C27 | C26 | O13 | 107.8° | 109.5° |
| C27 | C26 | H18 | 108.8° | 109.5° |
| C26 | C27 | H19 | 108.6° | 109.5° |
| O16 | C27 | H19 | 109.9° | 109.6° |
| C27 | O16 | H53 | 109.5° | 114.0° |
| C26 | O13 | C35 | 117.9° | 114.0° |
| O13 | C26 | H18 | 110.4° | 109.5° |
| O19 | C34 | C35 | 111.0° | 109.5° |
| O19 | C34 | C33 | 109.4° | 109.5° |
| O19 | C34 | H28 | 109.3° | 109.6° |
| C34 | O19 | H56 | 109.5° | 114.0° |
| O13 | C35 | C34 | 108.4° | 109.5° |
| O13 | C35 | C36 | 108.2° | 109.5° |
| O13 | C35 | H29 | 110.6° | 109.6° |
| C39 | C16 | N3 | 116.0° | 120.0° |
| C39 | C16 | O5 | 122.0° | 120.0° |
| C16 | C39 | H35 | 109.5° | 109.5° |
| C16 | C39 | H36 | 109.5° | 109.5° |
| C16 | C39 | H37 | 109.5° | 109.5° |
| C35 | C34 | C33 | 111.2° | 109.1° |
| C34 | C35 | C36 | 110.7° | 109.2° |
| C35 | C34 | H28 | 108.0° | 109.6° |
| C34 | C35 | H29 | 109.5° | 109.6° |
| C34 | C33 | N3 | 110.6° | 109.6° |
| C34 | C33 | C32 | 110.1° | 109.2° |
| C34 | C33 | H27 | 107.7° | 109.5° |
| C33 | C34 | H28 | 107.9° | 109.5° |
| C16 | N3 | C33 | 123.0° | 120.0° |
| N3 | C16 | O5 | 122.0° | 120.0° |
| C16 | N3 | H46 | 118.5° | 120.0° |
| N3 | C33 | C32 | 111.8° | 109.5° |
| N3 | C33 | H27 | 108.6° | 109.5° |
| C33 | N3 | H46 | 118.5° | 120.0° |
| C35 | C36 | C37 | 113.4° | 109.5° |
| C35 | C36 | O11 | 109.5° | 109.4° |
| C36 | C35 | H29 | 109.5° | 109.5° |
| C35 | C36 | H30 | 108.6° | 109.5° |
| C33 | C32 | O11 | 110.1° | 109.4° |
| C33 | C32 | O1 | 103.7° | 109.5° |
| C33 | C32 | H26 | 109.8° | 109.5° |
| C32 | C33 | H27 | 107.7° | 109.5° |
| C37 | C36 | O11 | 106.6° | 109.5° |
| C36 | C37 | O20 | 110.9° | 109.5° |
| C37 | C36 | H30 | 108.8° | 109.4° |
| C36 | C37 | H10 | 109.1° | 109.5° |
| C36 | C37 | H11 | 109.1° | 109.5° |
| C36 | O11 | C32 | 112.9° | 114.1° |
| O11 | C36 | H30 | 109.8° | 109.5° |
| O11 | C32 | O1 | 109.9° | 109.5° |
| O11 | C32 | H26 | 111.4° | 109.5° |
| C32 | O1 | C38 | 113.7° | 114.0° |
| O1 | C32 | H26 | 111.6° | 109.4° |
| O20 | C37 | H10 | 109.1° | 109.5° |
| O20 | C37 | H11 | 109.1° | 109.4° |
| C37 | O20 | H57 | 109.5° | 114.0° |
| O1 | C38 | C40 | 107.2° | 109.5° |
| O1 | C38 | H33 | 110.0° | 109.5° |
| O1 | C38 | H34 | 110.1° | 109.5° |
| C38 | C40 | N4 | 111.1° | 109.5° |
| C40 | C38 | H33 | 110.0° | 109.5° |
| C40 | C38 | H34 | 110.0° | 109.4° |
| C38 | C40 | H39 | 109.1° | 109.5° |
| C38 | C40 | H40 | 109.1° | 109.4° |
| N4 | C40 | H39 | 109.0° | 109.5° |
| N4 | C40 | H40 | 109.1° | 109.5° |
| C40 | N4 | H47 | 109.5° | 111.0° |
| C40 | N4 | H48 | 109.5° | 111.0° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H10 | C37 | H11 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.4° | 109.4° |
| H35 | C39 | H36 | 109.5° | 109.5° |
| H35 | C39 | H37 | 109.4° | 109.4° |
| H36 | C39 | H37 | 109.4° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H47 | N4 | H48 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C25 | C24 | H43 | 180.0° | 179.4° |
| C25 | C14 | C17 | H2 | 180.0° | 179.7° |
| C14 | C25 | C24 | C23 | 0.0° | 0.6° |
| C25 | C14 | C17 | C12 | 0.0° | 0.2° |
| C25 | C14 | C17 | H3 | 180.0° | 179.7° |
| C14 | C25 | C24 | H42 | 179.9° | 179.7° |
| C24 | C25 | C14 | C17 | 0.0° | 0.6° |
| C25 | C24 | C23 | H42 | 180.0° | 179.7° |
| C25 | C24 | C23 | C12 | 0.0° | 0.3° |
| C25 | C24 | C23 | O12 | 178.1° | 179.7° |
| C24 | C25 | C14 | H2 | 180.0° | 179.7° |
| C14 | C17 | C12 | H3 | 180.0° | 180.0° |
| C14 | C17 | C12 | C23 | 0.0° | 0.1° |
| C14 | C17 | C12 | H1 | 180.0° | 179.9° |
| C17 | C14 | C25 | H43 | 180.0° | 180.0° |
| C24 | C23 | C12 | C17 | 0.0° | 0.1° |
| C24 | C23 | C12 | O12 | 178.2° | 180.0° |
| C24 | C23 | O12 | C21 | 86.6° | 175.9° |
| C24 | C23 | C12 | H1 | 180.0° | 179.9° |
| C23 | C24 | C25 | H43 | 180.0° | 180.0° |
| C17 | C12 | C23 | H1 | 180.0° | 179.9° |
| C17 | C12 | C23 | O12 | 178.2° | 180.0° |
| C12 | C17 | C14 | H2 | 180.0° | 180.0° |
| C19 | C20 | C21 | H38 | 180.0° | 180.0° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C19 | C20 | C21 | O12 | 179.5° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.2° |
| C20 | C19 | C18 | C13 | 0.2° | 0.1° |
| C20 | C19 | C18 | H9 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | O12 | C23 | 4.6° | 103.4° |
| C20 | C21 | O12 | C22 | 179.9° | 179.8° |
| C20 | C21 | C22 | C13 | 0.1° | 0.5° |
| C21 | C20 | C19 | H22 | 179.8° | 180.0° |
| C20 | C21 | C22 | H41 | 179.9° | 180.0° |
| C19 | C18 | C13 | H9 | 180.0° | 179.9° |
| C19 | C18 | C13 | C22 | 0.5° | 0.3° |
| C19 | C18 | C13 | C15 | 178.2° | 180.0° |
| C18 | C19 | C20 | H38 | 179.8° | 180.0° |
| C12 | C23 | O12 | C21 | 95.2° | 4.0° |
| C23 | C12 | C17 | H3 | 180.0° | 179.9° |
| C12 | C23 | C24 | H42 | 179.9° | 180.0° |
| C23 | O12 | C21 | C22 | 175.3° | 76.8° |
| O12 | C23 | C12 | H1 | 1.8° | 0.1° |
| O12 | C23 | C24 | H42 | 1.9° | 0.0° |
| O12 | C21 | C22 | C13 | 179.7° | 179.7° |
| O12 | C21 | C20 | H38 | 0.5° | 0.0° |
| O12 | C21 | C22 | H41 | 0.3° | 0.2° |
| C21 | C22 | C13 | C18 | 0.3° | 0.5° |
| C21 | C22 | C13 | H41 | 180.0° | 179.5° |
| C21 | C22 | C13 | C15 | 178.4° | 179.8° |
| C22 | C21 | C20 | H38 | 179.6° | 179.8° |
| C18 | C13 | C22 | C15 | 178.7° | 179.7° |
| C18 | C13 | C15 | N1 | 106.2° | 0.0° |
| C18 | C13 | C15 | O3 | 75.0° | 179.9° |
| C13 | C18 | C19 | H22 | 179.8° | 180.0° |
| C18 | C13 | C22 | H41 | 179.7° | 180.0° |
| C22 | C13 | C15 | N1 | 75.1° | 179.7° |
| C22 | C13 | C15 | O3 | 103.7° | 0.2° |
| C22 | C13 | C18 | H9 | 179.5° | 179.8° |
| C13 | C15 | N1 | O3 | 178.8° | 179.9° |
| C13 | C15 | N1 | C9 | 171.0° | 180.0° |
| C15 | C13 | C18 | H9 | 1.8° | 0.1° |
| C15 | C13 | C22 | H41 | 1.6° | 0.3° |
| C13 | C15 | N1 | H12 | 9.0° | 0.1° |
| C15 | N1 | C9 | H12 | 180.0° | 180.0° |
| C15 | N1 | C9 | C8 | 80.9° | 179.9° |
| C15 | N1 | C9 | H91 | 158.9° | 60.0° |
| C15 | N1 | C9 | H92 | 39.4° | 60.0° |
| C9 | N1 | C15 | O3 | 7.8° | 0.1° |
| N1 | C9 | C8 | H91 | 120.3° | 120.0° |
| N1 | C9 | C8 | H92 | 120.3° | 120.0° |
| N1 | C9 | C8 | O8 | 63.3° | 65.0° |
| N1 | C9 | C8 | C7 | 175.6° | 175.0° |
| N1 | C9 | C8 | H8 | 56.4° | 55.0° |
| N1 | C9 | H91 | H92 | 119.2° | 120.0° |
| O3 | C15 | N1 | H12 | 172.2° | 180.0° |
| C9 | C8 | O8 | C7 | 122.5° | 120.0° |
| C9 | C8 | O8 | H8 | 119.0° | 120.0° |
| C9 | C8 | C7 | H8 | 119.1° | 119.9° |
| C9 | C8 | C7 | O7 | 63.0° | 60.0° |
| C9 | C8 | C7 | C6 | 175.1° | 180.0° |
| C9 | C8 | C7 | H7 | 56.0° | 60.0° |
| C8 | C9 | H91 | H92 | 119.1° | 120.0° |
| C9 | C8 | O8 | HO8 | 166.7° | 60.0° |
| C8 | C9 | N1 | H12 | 99.1° | 0.0° |
| O8 | C8 | C7 | H8 | 119.4° | 120.0° |
| O8 | C8 | C7 | O7 | 175.5° | 180.0° |
| O8 | C8 | C7 | C6 | 53.6° | 60.0° |
| O8 | C8 | C7 | H7 | 65.5° | 60.0° |
| O8 | C8 | C9 | H91 | 56.9° | 175.0° |
| O8 | C8 | C9 | H92 | 176.4° | 55.0° |
| C8 | C7 | O7 | C6 | 123.0° | 120.1° |
| C8 | C7 | O7 | H7 | 118.1° | 120.1° |
| C8 | C7 | C6 | H7 | 119.0° | 120.1° |
| C8 | C7 | C6 | O6 | 55.5° | 55.0° |
| C8 | C7 | C6 | C5 | 175.0° | 174.9° |
| C8 | C7 | C6 | H6 | 63.2° | 65.0° |
| C7 | C8 | C9 | H91 | 64.2° | 55.0° |
| C7 | C8 | C9 | H92 | 55.3° | 65.1° |
| C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C8 | O8 | HO8 | 70.8° | 60.0° |
| O7 | C7 | C6 | H7 | 119.7° | 119.9° |
| O7 | C7 | C6 | O6 | 65.8° | 65.1° |
| O7 | C7 | C6 | C5 | 53.7° | 54.9° |
| O7 | C7 | C6 | H6 | 175.5° | 175.0° |
| O7 | C7 | C8 | H8 | 56.1° | 60.0° |
| C7 | C6 | O6 | C5 | 124.1° | 120.0° |
| C7 | C6 | O6 | H6 | 117.9° | 120.0° |
| C7 | C6 | C5 | H6 | 121.8° | 120.1° |
| C7 | C6 | O6 | C2 | 172.6° | 178.8° |
| C7 | C6 | C5 | N5 | 55.5° | 62.5° |
| C7 | C6 | C5 | C4 | 176.8° | 177.6° |
| C7 | C6 | C5 | H5 | 65.6° | 57.7° |
| C6 | C7 | C8 | H8 | 65.8° | 60.0° |
| C6 | C7 | O7 | HO7 | 57.0° | 60.1° |
| O1A | C1 | O1B | C2 | 179.1° | 180.0° |
| O1A | C1 | C2 | O6 | 24.3° | 6.9° |
| O1A | C1 | C2 | O2 | 95.5° | 113.1° |
| O1A | C1 | C2 | C3 | 147.9° | 126.9° |
| O1A | C1 | O1B | HO1B | 0.0° | 175.2° |
| O6 | C6 | C5 | H6 | 118.8° | 120.0° |
| C6 | O6 | C2 | C1 | 67.7° | 58.8° |
| O6 | C6 | C5 | N5 | 174.9° | 177.5° |
| O6 | C6 | C5 | C4 | 63.8° | 57.6° |
| C6 | O6 | C2 | O2 | 174.3° | 178.9° |
| C6 | O6 | C2 | C3 | 56.5° | 61.2° |
| O6 | C6 | C5 | H5 | 53.8° | 62.3° |
| O6 | C6 | C7 | H7 | 174.5° | 175.0° |
| C5 | C6 | O6 | C2 | 63.3° | 61.2° |
| C6 | C5 | N5 | C10 | 117.9° | 155.0° |
| C6 | C5 | N5 | C4 | 119.3° | 119.7° |
| C6 | C5 | N5 | H5 | 120.6° | 120.2° |
| C6 | C5 | C4 | H5 | 117.6° | 119.9° |
| C6 | C5 | C4 | C3 | 60.7° | 57.0° |
| C6 | C5 | C4 | O4 | 178.1° | 176.9° |
| C6 | C5 | C4 | H4 | 57.7° | 62.9° |
| C5 | C6 | C7 | H7 | 66.0° | 65.0° |
| C6 | C5 | N5 | HN5 | 62.1° | 25.0° |
| O18 | C29 | C30 | C31 | 54.1° | 57.7° |
| O18 | C29 | C30 | C28 | 121.0° | 119.9° |
| O18 | C29 | C30 | H21 | 120.0° | 120.2° |
| O18 | C29 | C28 | H21 | 121.1° | 120.2° |
| O18 | C29 | C28 | O17 | 55.4° | 57.0° |
| O18 | C29 | C30 | O14 | 64.3° | 62.3° |
| O18 | C29 | C28 | C27 | 66.6° | 62.9° |
| O18 | C29 | C28 | H20 | 175.1° | 177.2° |
| O18 | C29 | C30 | H23 | 175.2° | 177.7° |
| C11 | C10 | N5 | O10 | 179.7° | 179.9° |
| C11 | C10 | N5 | C5 | 179.4° | 180.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.1° |
| C10 | C11 | H111 | H113 | 120.0° | 119.9° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| C11 | C10 | N5 | HN5 | 0.6° | 0.0° |
| O1B | C1 | C2 | O6 | 156.5° | 173.0° |
| O1B | C1 | C2 | O2 | 83.6° | 66.9° |
| O1B | C1 | C2 | C3 | 32.9° | 53.1° |
| C1 | C2 | O6 | O2 | 118.0° | 120.0° |
| C1 | C2 | O6 | C3 | 124.2° | 120.0° |
| C1 | C2 | O2 | C31 | 63.7° | 61.9° |
| C1 | C2 | O2 | C3 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 71.6° | 62.4° |
| C1 | C2 | C3 | H31 | 168.1° | 57.6° |
| C1 | C2 | C3 | H32 | 48.6° | 177.6° |
| C2 | C1 | O1B | HO1B | 179.1° | 4.8° |
| O6 | C2 | O2 | C31 | 55.1° | 58.2° |
| O6 | C2 | O2 | C3 | 120.7° | 119.9° |
| O6 | C2 | C3 | C4 | 50.7° | 57.6° |
| C2 | O6 | C6 | H6 | 54.7° | 58.8° |
| O6 | C2 | C3 | H31 | 69.5° | 177.5° |
| O6 | C2 | C3 | H32 | 170.9° | 62.4° |
| C10 | N5 | C5 | HN5 | 180.0° | 180.0° |
| C10 | N5 | C5 | C4 | 122.9° | 85.4° |
| C10 | N5 | C5 | H5 | 2.7° | 34.8° |
| N5 | C10 | C11 | H111 | 179.7° | 90.0° |
| N5 | C10 | C11 | H112 | 60.2° | 30.1° |
| N5 | C10 | C11 | H113 | 59.7° | 150.0° |
| C5 | N5 | C10 | O10 | 0.3° | 0.0° |
| N5 | C5 | C4 | H5 | 120.7° | 120.2° |
| N5 | C5 | C4 | C3 | 177.6° | 176.9° |
| N5 | C5 | C4 | O4 | 56.5° | 63.3° |
| N5 | C5 | C6 | H6 | 66.3° | 57.5° |
| N5 | C5 | C4 | H4 | 63.9° | 57.0° |
| O10 | C10 | C11 | H111 | 0.0° | 89.9° |
| O10 | C10 | C11 | H112 | 120.0° | 150.0° |
| O10 | C10 | C11 | H113 | 120.0° | 30.0° |
| O10 | C10 | N5 | HN5 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 54.2° | 57.0° |
| C5 | C4 | C3 | O4 | 119.9° | 119.8° |
| C5 | C4 | C3 | H4 | 118.5° | 119.9° |
| C5 | C4 | O4 | H4 | 119.5° | 120.2° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 55.0° | 62.3° |
| C5 | C4 | C3 | H31 | 66.1° | 176.9° |
| C5 | C4 | C3 | H32 | 174.4° | 63.0° |
| C4 | C5 | N5 | HN5 | 57.1° | 94.6° |
| O2 | C31 | C30 | H24 | 119.7° | 120.1° |
| O2 | C31 | C30 | H25 | 119.7° | 120.0° |
| O2 | C31 | C30 | C29 | 179.3° | 175.0° |
| C31 | O2 | C2 | C3 | 175.8° | 178.1° |
| O2 | C31 | C30 | O14 | 59.3° | 65.0° |
| O2 | C31 | C30 | H23 | 59.8° | 55.0° |
| O2 | C31 | H24 | H25 | 120.8° | 120.0° |
| C31 | C30 | C29 | O14 | 118.4° | 120.0° |
| C31 | C30 | C29 | H23 | 121.1° | 120.0° |
| C31 | C30 | C29 | C28 | 175.2° | 177.6° |
| C30 | C31 | O2 | C2 | 169.2° | 174.9° |
| C31 | C30 | O14 | H23 | 118.4° | 120.0° |
| C31 | C30 | O14 | C26 | 176.0° | 178.8° |
| C31 | C30 | C29 | H21 | 65.9° | 62.4° |
| C30 | C31 | H24 | H25 | 120.9° | 120.0° |
| C30 | C29 | C28 | H21 | 118.9° | 119.9° |
| C30 | C29 | C28 | O17 | 175.5° | 176.9° |
| C29 | C30 | O14 | H23 | 119.7° | 120.0° |
| C30 | C29 | C28 | C27 | 53.4° | 57.0° |
| C29 | C30 | O14 | C26 | 62.2° | 61.1° |
| C30 | C29 | C28 | H20 | 64.8° | 62.9° |
| C29 | C30 | C31 | H24 | 59.6° | 54.9° |
| C29 | C30 | C31 | H25 | 61.0° | 65.0° |
| C30 | C29 | O18 | H55 | 180.0° | 180.0° |
| C29 | C28 | O17 | C27 | 122.5° | 119.6° |
| C29 | C28 | O17 | H20 | 118.9° | 120.2° |
| C28 | C29 | C30 | O14 | 56.7° | 57.6° |
| C29 | C28 | C27 | H20 | 118.3° | 119.8° |
| C29 | C28 | C27 | C26 | 52.3° | 57.0° |
| C29 | C28 | C27 | O16 | 173.2° | 176.8° |
| C29 | C28 | C27 | H19 | 66.5° | 62.9° |
| C28 | C29 | C30 | H23 | 63.8° | 62.4° |
| C29 | C28 | O17 | H54 | 180.0° | 179.6° |
| C28 | C29 | O18 | H55 | 59.5° | 60.3° |
| O2 | C2 | C3 | C4 | 171.0° | 177.6° |
| O2 | C2 | C3 | H31 | 50.8° | 62.5° |
| O2 | C2 | C3 | H32 | 68.8° | 57.6° |
| C2 | O2 | C31 | H24 | 49.4° | 65.1° |
| C2 | O2 | C31 | H25 | 71.1° | 54.9° |
| C2 | C3 | C4 | H31 | 120.2° | 119.9° |
| C2 | C3 | C4 | H32 | 120.2° | 120.0° |
| C2 | C3 | C4 | O4 | 174.1° | 176.9° |
| C2 | C3 | C4 | H4 | 64.3° | 62.9° |
| C2 | C3 | H31 | H32 | 119.3° | 120.1° |
| O17 | C28 | C27 | H20 | 119.4° | 120.2° |
| O17 | C28 | C27 | C26 | 174.6° | 176.9° |
| O17 | C28 | C27 | O16 | 64.5° | 63.2° |
| O17 | C28 | C27 | H19 | 55.8° | 57.0° |
| O17 | C28 | C29 | H21 | 65.6° | 63.2° |
| C3 | C4 | O4 | H4 | 120.8° | 120.2° |
| C3 | C4 | O4 | HO4 | 60.3° | 60.4° |
| C3 | C4 | C5 | H5 | 56.9° | 62.9° |
| C4 | C3 | H31 | H32 | 119.3° | 120.2° |
| O4 | C4 | C5 | H5 | 64.3° | 57.0° |
| O4 | C4 | C3 | H31 | 53.9° | 63.2° |
| O4 | C4 | C3 | H32 | 65.7° | 56.9° |
| C30 | O14 | C26 | C27 | 61.3° | 61.1° |
| C30 | O14 | C26 | O13 | 179.6° | 178.9° |
| C30 | O14 | C26 | H18 | 58.9° | 58.9° |
| O14 | C30 | C29 | H21 | 175.7° | 177.6° |
| O14 | C30 | C31 | H24 | 60.4° | 174.9° |
| O14 | C30 | C31 | H25 | 179.0° | 55.0° |
| C28 | C27 | C26 | O14 | 55.0° | 57.6° |
| C28 | C27 | C26 | O16 | 121.1° | 119.9° |
| C28 | C27 | C26 | H19 | 118.8° | 120.0° |
| C28 | C27 | O16 | H19 | 119.5° | 120.2° |
| C28 | C27 | C26 | O13 | 174.2° | 177.6° |
| C28 | C27 | C26 | H18 | 66.1° | 62.4° |
| C27 | C28 | C29 | H21 | 172.4° | 176.9° |
| C28 | C27 | O16 | H53 | 180.0° | 179.7° |
| C27 | C28 | O17 | H54 | 57.5° | 60.0° |
| O14 | C26 | C27 | O13 | 119.2° | 120.0° |
| O14 | C26 | C27 | H18 | 121.2° | 120.0° |
| O14 | C26 | C27 | O16 | 176.1° | 177.5° |
| O14 | C26 | O13 | H18 | 121.4° | 120.0° |
| O14 | C26 | O13 | C35 | 79.7° | 71.2° |
| O14 | C26 | C27 | H19 | 63.8° | 62.4° |
| C26 | O14 | C30 | H23 | 57.6° | 58.9° |
| C26 | C27 | O16 | H19 | 119.3° | 120.1° |
| C27 | C26 | O13 | H18 | 118.6° | 120.1° |
| C27 | C26 | O13 | C35 | 160.2° | 168.9° |
| C26 | C27 | C28 | H20 | 66.0° | 62.9° |
| C26 | C27 | O16 | H53 | 58.8° | 60.0° |
| O16 | C27 | C26 | O13 | 64.7° | 62.5° |
| O16 | C27 | C26 | H18 | 54.9° | 57.5° |
| O16 | C27 | C28 | H20 | 54.9° | 57.0° |
| C26 | O13 | C35 | C34 | 94.8° | 139.5° |
| C26 | O13 | C35 | C36 | 145.1° | 100.8° |
| O13 | C26 | C27 | H19 | 55.4° | 57.6° |
| C26 | O13 | C35 | H29 | 25.2° | 19.3° |
| O19 | C34 | C35 | O13 | 68.4° | 63.3° |
| O19 | C34 | C35 | C33 | 122.0° | 119.9° |
| O19 | C34 | C35 | H28 | 119.8° | 120.3° |
| O19 | C34 | C33 | H28 | 118.8° | 120.2° |
| O19 | C34 | C33 | N3 | 62.0° | 63.2° |
| O19 | C34 | C35 | C36 | 173.1° | 176.9° |
| O19 | C34 | C33 | C32 | 173.8° | 176.8° |
| O19 | C34 | C33 | H27 | 56.6° | 56.9° |
| O19 | C34 | C35 | H29 | 52.4° | 57.0° |
| O13 | C35 | C34 | C36 | 118.5° | 119.9° |
| O13 | C35 | C34 | H29 | 120.8° | 120.2° |
| O13 | C35 | C34 | C33 | 169.6° | 176.9° |
| O13 | C35 | C36 | H29 | 120.6° | 120.2° |
| O13 | C35 | C36 | C37 | 67.1° | 62.5° |
| O13 | C35 | C36 | O11 | 174.0° | 177.5° |
| C35 | O13 | C26 | H18 | 41.6° | 48.8° |
| O13 | C35 | C34 | H28 | 51.4° | 57.0° |
| O13 | C35 | C36 | H30 | 54.0° | 57.5° |
| C39 | C16 | N3 | O5 | 180.0° | 180.0° |
| C39 | C16 | N3 | C33 | 177.8° | 180.0° |
| C16 | C39 | H35 | H36 | 120.0° | 120.0° |
| C16 | C39 | H35 | H37 | 120.0° | 120.0° |
| C16 | C39 | H36 | H37 | 120.0° | 120.0° |
| C39 | C16 | N3 | H46 | 2.2° | 0.0° |
| C35 | C34 | C33 | H28 | 118.2° | 119.9° |
| C35 | C34 | C33 | N3 | 175.0° | 177.0° |
| C34 | C35 | C36 | H29 | 120.7° | 119.9° |
| C35 | C34 | C33 | C32 | 50.8° | 57.0° |
| C34 | C35 | C36 | C37 | 174.3° | 177.6° |
| C34 | C35 | C36 | O11 | 55.4° | 57.6° |
| C35 | C34 | C33 | H27 | 66.4° | 62.9° |
| C34 | C35 | C36 | H30 | 64.6° | 62.4° |
| C35 | C34 | O19 | H56 | 180.0° | 180.0° |
| C34 | C33 | N3 | C16 | 110.7° | 155.3° |
| C34 | C33 | N3 | C32 | 123.2° | 119.7° |
| C34 | C33 | N3 | H27 | 118.0° | 120.1° |
| C33 | C34 | C35 | C36 | 51.1° | 57.0° |
| C34 | C33 | C32 | H27 | 117.2° | 119.9° |
| C34 | C33 | C32 | O11 | 55.8° | 57.6° |
| C34 | C33 | C32 | O1 | 173.4° | 177.6° |
| C34 | C33 | C32 | H26 | 67.2° | 62.4° |
| C33 | C34 | C35 | H29 | 69.7° | 62.9° |
| C34 | C33 | N3 | H46 | 69.4° | 24.7° |
| C33 | C34 | O19 | H56 | 56.9° | 60.5° |
| C16 | N3 | C33 | H46 | 180.0° | 180.0° |
| C16 | N3 | C33 | C32 | 126.2° | 85.0° |
| C16 | N3 | C33 | H27 | 7.4° | 35.2° |
| N3 | C16 | C39 | H35 | 180.0° | 180.0° |
| N3 | C16 | C39 | H36 | 60.0° | 60.0° |
| N3 | C16 | C39 | H37 | 60.0° | 60.0° |
| C33 | N3 | C16 | O5 | 2.2° | 0.0° |
| N3 | C33 | C32 | H27 | 119.3° | 120.1° |
| N3 | C33 | C32 | O11 | 179.2° | 177.6° |
| N3 | C33 | C32 | O1 | 63.2° | 62.4° |
| N3 | C33 | C32 | H26 | 56.3° | 57.6° |
| N3 | C33 | C34 | H28 | 56.7° | 57.0° |
| O5 | C16 | C39 | H35 | 0.0° | 0.0° |
| O5 | C16 | C39 | H36 | 120.0° | 120.0° |
| O5 | C16 | C39 | H37 | 120.0° | 120.0° |
| O5 | C16 | N3 | H46 | 177.8° | 180.0° |
| C35 | C36 | C37 | O11 | 120.6° | 119.9° |
| C35 | C36 | C37 | H30 | 121.0° | 120.1° |
| C35 | C36 | O11 | H30 | 119.2° | 120.0° |
| C35 | C36 | O11 | C32 | 62.7° | 61.2° |
| C35 | C36 | C37 | O20 | 58.7° | 175.1° |
| C36 | C35 | C34 | H28 | 67.1° | 62.9° |
| C35 | C36 | C37 | H10 | 178.9° | 55.1° |
| C35 | C36 | C37 | H11 | 61.5° | 64.9° |
| C33 | C32 | O11 | C36 | 63.1° | 61.1° |
| C33 | C32 | O11 | O1 | 113.7° | 120.0° |
| C33 | C32 | O11 | H26 | 122.0° | 120.0° |
| C33 | C32 | O1 | H26 | 118.1° | 120.0° |
| C33 | C32 | O1 | C38 | 133.2° | 175.1° |
| C32 | C33 | C34 | H28 | 67.4° | 62.9° |
| C32 | C33 | N3 | H46 | 53.8° | 95.0° |
| C37 | C36 | O11 | H30 | 117.7° | 120.0° |
| C37 | C36 | O11 | C32 | 174.2° | 178.8° |
| C36 | C37 | O20 | H10 | 120.2° | 120.0° |
| C36 | C37 | O20 | H11 | 120.2° | 120.0° |
| C37 | C36 | C35 | H29 | 53.6° | 57.7° |
| C36 | C37 | H10 | H11 | 119.3° | 120.0° |
| C36 | C37 | O20 | H57 | 180.0° | 180.0° |
| C36 | O11 | C32 | O1 | 176.8° | 178.8° |
| O11 | C36 | C37 | O20 | 61.9° | 64.9° |
| C36 | O11 | C32 | H26 | 58.9° | 58.8° |
| O11 | C36 | C35 | H29 | 65.4° | 62.3° |
| O11 | C36 | C37 | H10 | 58.3° | 175.0° |
| O11 | C36 | C37 | H11 | 177.8° | 55.0° |
| O11 | C32 | O1 | H26 | 124.1° | 120.0° |
| O11 | C32 | O1 | C38 | 109.1° | 65.0° |
| O11 | C32 | C33 | H27 | 61.5° | 62.3° |
| C32 | O11 | C36 | H30 | 56.5° | 58.9° |
| C32 | O1 | C38 | C40 | 175.7° | 180.0° |
| O1 | C32 | C33 | H27 | 56.2° | 57.7° |
| C32 | O1 | C38 | H33 | 56.1° | 59.9° |
| C32 | O1 | C38 | H34 | 64.6° | 60.0° |
| O20 | C37 | C36 | H30 | 179.7° | 55.1° |
| O20 | C37 | H10 | H11 | 119.4° | 120.0° |
| O1 | C38 | C40 | H33 | 119.7° | 120.0° |
| O1 | C38 | C40 | H34 | 119.7° | 120.0° |
| O1 | C38 | C40 | N4 | 61.3° | 65.0° |
| C38 | O1 | C32 | H26 | 15.0° | 55.0° |
| O1 | C38 | H33 | H34 | 121.1° | 120.0° |
| O1 | C38 | C40 | H39 | 178.5° | 175.0° |
| O1 | C38 | C40 | H40 | 59.0° | 55.0° |
| C38 | C40 | N4 | H39 | 120.2° | 120.0° |
| C38 | C40 | N4 | H40 | 120.3° | 119.9° |
| C40 | C38 | H33 | H34 | 121.0° | 120.0° |
| C38 | C40 | H39 | H40 | 119.3° | 119.9° |
| C38 | C40 | N4 | H47 | 180.0° | 180.0° |
| C38 | C40 | N4 | H48 | 60.0° | 56.0° |
| N4 | C40 | C38 | H33 | 58.4° | 175.0° |
| N4 | C40 | C38 | H34 | 179.1° | 55.1° |
| N4 | C40 | H39 | H40 | 119.3° | 120.0° |
| C40 | N4 | H47 | H48 | 120.0° | 124.0° |
| HO4 | O4 | C4 | H4 | 60.5° | 59.8° |
| H2 | C14 | C17 | H3 | 0.1° | 0.0° |
| H2 | C14 | C25 | H43 | 0.0° | 0.3° |
| H3 | C17 | C12 | H1 | 0.0° | 0.1° |
| H6 | C6 | C5 | H5 | 172.6° | 177.8° |
| H6 | C6 | C7 | H7 | 55.8° | 55.1° |
| H5 | C5 | C4 | H4 | 175.3° | 177.2° |
| H5 | C5 | N5 | HN5 | 177.3° | 145.2° |
| H4 | C4 | C3 | H31 | 175.5° | 57.0° |
| H4 | C4 | C3 | H32 | 55.9° | 177.1° |
| H9 | C18 | C19 | H22 | 0.3° | 0.0° |
| H7 | C7 | C8 | H8 | 175.2° | 180.0° |
| H7 | C7 | O7 | HO7 | 61.9° | 180.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H8 | C8 | C9 | H91 | 176.7° | 65.0° |
| H8 | C8 | C9 | H92 | 63.8° | 175.0° |
| H8 | C8 | O8 | HO8 | 47.7° | 180.0° |
| H91 | C9 | N1 | H12 | 21.2° | 120.0° |
| H92 | C9 | N1 | H12 | 140.7° | 120.0° |
| H18 | C26 | C27 | H19 | 175.0° | 177.7° |
| H19 | C27 | C28 | H20 | 175.2° | 177.2° |
| H19 | C27 | O16 | H53 | 60.5° | 60.1° |
| H20 | C28 | C29 | H21 | 54.1° | 57.0° |
| H20 | C28 | O17 | H54 | 61.1° | 60.2° |
| H21 | C29 | C30 | H23 | 55.2° | 57.5° |
| H21 | C29 | O18 | H55 | 60.8° | 59.8° |
| H22 | C19 | C20 | H38 | 0.2° | 0.0° |
| H23 | C30 | C31 | H24 | 179.5° | 65.1° |
| H23 | C30 | C31 | H25 | 59.9° | 175.0° |
| H26 | C32 | C33 | H27 | 175.6° | 177.7° |
| H27 | C33 | C34 | H28 | 175.3° | 177.1° |
| H27 | C33 | N3 | H46 | 172.6° | 144.8° |
| H28 | C34 | C35 | H29 | 172.2° | 177.2° |
| H28 | C34 | O19 | H56 | 61.0° | 59.7° |
| H29 | C35 | C36 | H30 | 174.7° | 177.7° |
| H30 | C36 | C37 | H10 | 60.1° | 65.0° |
| H30 | C36 | C37 | H11 | 59.5° | 175.0° |
| H10 | C37 | O20 | H57 | 59.8° | 60.0° |
| H11 | C37 | O20 | H57 | 59.8° | 60.1° |
| H33 | C38 | C40 | H39 | 61.8° | 55.0° |
| H33 | C38 | C40 | H40 | 178.7° | 65.0° |
| H34 | C38 | C40 | H39 | 58.9° | 65.0° |
| H34 | C38 | C40 | H40 | 60.7° | 175.0° |
| H35 | C39 | H36 | H37 | 120.0° | 120.0° |
| H39 | C40 | N4 | H47 | 59.8° | 60.0° |
| H39 | C40 | N4 | H48 | 179.8° | 176.0° |
| H40 | C40 | N4 | H47 | 59.7° | 60.1° |
| H40 | C40 | N4 | H48 | 60.3° | 63.9° |
| H42 | C24 | C25 | H43 | 0.0° | 0.3° |
