A1JJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | N1 | sing | 1.46Å | 1.46Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| O1 | N8 | doub | 1.22Å | 1.23Å | |
| C27 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O10 | C8 | doub | 1.21Å | 1.23Å | |
| C26 | C10 | sing | 1.51Å | 1.50Å | |
| C26 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| C10 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N8 | O11 | sing | 1.22Å | 1.23Å | |
| N8 | C32 | sing | 1.48Å | 1.43Å | |
| C30 | N6 | sing | 1.47Å | 1.46Å | |
| C2 | O6 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C5 | N5 | sing | 1.47Å | 1.45Å | |
| C5 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | N5 | sing | 1.35Å | 1.34Å | |
| C8 | C12 | sing | 1.51Å | 1.50Å | |
| O6 | C11 | sing | 1.43Å | 1.43Å | |
| O1A | C1 | doub | 1.21Å | 1.25Å | |
| C32 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C32 | C34 | doub | 1.35Å | 1.36Å | Aromatic |
| N6 | C31 | sing | 1.35Å | 1.37Å | Aromatic |
| C1 | O1B | sing | 1.34Å | 1.25Å | |
| C11 | C7 | sing | 1.53Å | 1.52Å | |
| O3 | C7 | sing | 1.43Å | 1.42Å | |
| C34 | N7 | sing | 1.34Å | 1.36Å | Aromatic |
| C31 | C33 | sing | 1.51Å | 1.48Å | |
| C31 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O8 | sing | 1.43Å | 1.43Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| O2 | C13 | doub | 1.22Å | 1.23Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C13 | N2 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C20 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C21 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H113 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O5 | H40 | sing | 0.97Å | 0.95Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C29 | C28 | 106.9° | 109.5° |
| O5 | C29 | C30 | 109.8° | 109.4° |
| O5 | C29 | H22 | 110.5° | 109.5° |
| C29 | O5 | H40 | 109.5° | 114.0° |
| C28 | C29 | C30 | 111.1° | 109.5° |
| C29 | C28 | N1 | 112.4° | 109.5° |
| C29 | C28 | H20 | 108.8° | 109.5° |
| C29 | C28 | H21 | 108.7° | 109.5° |
| C28 | C29 | H22 | 109.3° | 109.5° |
| C29 | C30 | N6 | 113.9° | 109.5° |
| C30 | C29 | H22 | 109.3° | 109.5° |
| C29 | C30 | H23 | 108.4° | 109.5° |
| C29 | C30 | H24 | 108.4° | 109.5° |
| C28 | N1 | C27 | 127.8° | 125.9° |
| C28 | N1 | N4 | 121.3° | 125.9° |
| N1 | C28 | H20 | 108.7° | 109.5° |
| N1 | C28 | H21 | 108.7° | 109.5° |
| O4 | C4 | C3 | 113.0° | 109.5° |
| O4 | C4 | C5 | 110.4° | 109.5° |
| O4 | C4 | H4 | 109.0° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O1 | N8 | O11 | 122.9° | 120.0° |
| O1 | N8 | C32 | 119.8° | 120.0° |
| N1 | C27 | C26 | 105.4° | 106.2° |
| C27 | N1 | N4 | 110.9° | 108.3° |
| N1 | C27 | H19 | 127.3° | 126.9° |
| C27 | C26 | C10 | 128.3° | 126.8° |
| C27 | C26 | N3 | 107.9° | 106.5° |
| C26 | C27 | H19 | 127.3° | 126.9° |
| N1 | N4 | N3 | 106.8° | 110.2° |
| C4 | C3 | C2 | 111.3° | 109.1° |
| C3 | C4 | C5 | 108.9° | 109.0° |
| C4 | C3 | H32 | 109.0° | 109.5° |
| C4 | C3 | H2 | 109.0° | 109.5° |
| C3 | C4 | H4 | 107.7° | 109.6° |
| C3 | C2 | C10 | 112.8° | 109.5° |
| C3 | C2 | O6 | 108.8° | 109.4° |
| C3 | C2 | C1 | 106.4° | 109.5° |
| C2 | C3 | H32 | 109.0° | 109.6° |
| C2 | C3 | H2 | 109.0° | 109.5° |
| O10 | C8 | N5 | 122.0° | 120.0° |
| O10 | C8 | C12 | 122.0° | 120.0° |
| C10 | C26 | N3 | 123.7° | 126.7° |
| C26 | C10 | C2 | 122.9° | 109.4° |
| C26 | C10 | H1 | 106.0° | 109.5° |
| C26 | C10 | H6 | 106.0° | 109.5° |
| C26 | N3 | N4 | 109.0° | 108.8° |
| C10 | C2 | O6 | 110.5° | 109.5° |
| C10 | C2 | C1 | 105.0° | 109.5° |
| C2 | C10 | H1 | 106.0° | 109.5° |
| C2 | C10 | H6 | 106.0° | 109.5° |
| C4 | C5 | N5 | 110.0° | 109.5° |
| C4 | C5 | C11 | 107.4° | 109.2° |
| C4 | C5 | H5 | 109.0° | 109.6° |
| C5 | C4 | H4 | 107.7° | 109.6° |
| O11 | N8 | C32 | 117.2° | 120.0° |
| N8 | C32 | N6 | 125.5° | 126.6° |
| N8 | C32 | C34 | 127.2° | 126.6° |
| C30 | N6 | C32 | 129.4° | 126.4° |
| C30 | N6 | C31 | 125.4° | 126.4° |
| N6 | C30 | H23 | 108.3° | 109.4° |
| N6 | C30 | H24 | 108.3° | 109.5° |
| O6 | C2 | C1 | 113.2° | 109.5° |
| C2 | O6 | C11 | 113.4° | 114.1° |
| C2 | C1 | O1A | 116.1° | 120.0° |
| C2 | C1 | O1B | 118.0° | 120.0° |
| N5 | C5 | C11 | 111.6° | 109.5° |
| C5 | N5 | C8 | 123.1° | 120.0° |
| N5 | C5 | H5 | 109.9° | 109.5° |
| C5 | N5 | HN5 | 118.4° | 120.1° |
| C5 | C11 | O6 | 112.3° | 109.4° |
| C5 | C11 | C7 | 115.8° | 109.5° |
| C5 | C11 | H31 | 106.7° | 109.5° |
| C11 | C5 | H5 | 108.9° | 109.5° |
| N5 | C8 | C12 | 116.0° | 120.0° |
| C8 | N5 | HN5 | 118.4° | 119.9° |
| C8 | C12 | H111 | 109.5° | 109.5° |
| C8 | C12 | H112 | 109.4° | 109.5° |
| C8 | C12 | H113 | 109.5° | 109.5° |
| O6 | C11 | C7 | 107.2° | 109.5° |
| O6 | C11 | H31 | 107.8° | 109.5° |
| O1A | C1 | O1B | 125.8° | 120.0° |
| N6 | C32 | C34 | 107.2° | 106.8° |
| C32 | N6 | C31 | 105.1° | 107.2° |
| C32 | C34 | N7 | 109.8° | 108.1° |
| C32 | C34 | H3 | 125.1° | 126.0° |
| N6 | C31 | C33 | 123.8° | 125.7° |
| N6 | C31 | N7 | 112.0° | 108.7° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C11 | C7 | O3 | 108.1° | 109.5° |
| C11 | C7 | C6 | 112.4° | 109.5° |
| C7 | C11 | H31 | 106.7° | 109.5° |
| C11 | C7 | H7 | 108.4° | 109.5° |
| O3 | C7 | C6 | 109.7° | 109.5° |
| O3 | C7 | H7 | 109.8° | 109.5° |
| C7 | O3 | HO7 | 109.5° | 114.0° |
| C34 | N7 | C31 | 105.9° | 109.3° |
| N7 | C34 | H3 | 125.1° | 126.0° |
| C33 | C31 | N7 | 124.2° | 125.7° |
| C31 | C33 | H25 | 109.5° | 109.6° |
| C31 | C33 | H26 | 109.5° | 109.5° |
| C31 | C33 | H27 | 109.5° | 109.5° |
| C7 | C6 | O8 | 110.5° | 109.5° |
| C7 | C6 | C9 | 111.8° | 109.5° |
| C6 | C7 | H7 | 108.4° | 109.5° |
| C7 | C6 | H8 | 107.2° | 109.4° |
| O8 | C6 | C9 | 111.5° | 109.5° |
| O8 | C6 | H8 | 108.4° | 109.5° |
| C6 | O8 | HO8 | 109.5° | 114.0° |
| C6 | C9 | N2 | 113.7° | 109.5° |
| C9 | C6 | H8 | 107.2° | 109.5° |
| C6 | C9 | H91 | 108.4° | 109.5° |
| C6 | C9 | H92 | 108.4° | 109.5° |
| O2 | C13 | N2 | 122.0° | 120.0° |
| O2 | C13 | C14 | 120.9° | 120.0° |
| C9 | N2 | C13 | 122.1° | 120.0° |
| N2 | C9 | H91 | 108.4° | 109.5° |
| N2 | C9 | H92 | 108.4° | 109.4° |
| C9 | N2 | H9 | 118.9° | 120.0° |
| N2 | C13 | C14 | 117.1° | 120.0° |
| C13 | N2 | H9 | 119.0° | 120.0° |
| C13 | C14 | C20 | 120.2° | 120.0° |
| C13 | C14 | C15 | 121.3° | 120.1° |
| C14 | C20 | C19 | 120.7° | 120.0° |
| C20 | C14 | C15 | 118.4° | 119.9° |
| C14 | C20 | H14 | 119.7° | 120.0° |
| C20 | C19 | C17 | 121.2° | 120.1° |
| C19 | C20 | H14 | 119.6° | 120.0° |
| C20 | C19 | H28 | 119.4° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H12 | 119.6° | 120.0° |
| C19 | C17 | C16 | 117.7° | 120.0° |
| C19 | C17 | C18 | 121.1° | 120.0° |
| C17 | C19 | H28 | 119.4° | 119.9° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C16 | C15 | H12 | 119.7° | 120.0° |
| C15 | C16 | H13 | 119.4° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C17 | C16 | H13 | 119.4° | 120.0° |
| C17 | C18 | C21 | 120.9° | 120.1° |
| C17 | C18 | C22 | 120.8° | 120.1° |
| C18 | C21 | C24 | 120.7° | 119.8° |
| C21 | C18 | C22 | 118.2° | 119.8° |
| C18 | C21 | H15 | 119.7° | 120.1° |
| C21 | C24 | C25 | 120.3° | 120.1° |
| C24 | C21 | H15 | 119.6° | 120.1° |
| C21 | C24 | H17 | 119.8° | 119.9° |
| C18 | C22 | C23 | 120.7° | 119.9° |
| C18 | C22 | H29 | 119.7° | 120.0° |
| C24 | C25 | C23 | 119.7° | 120.2° |
| C25 | C24 | H17 | 119.9° | 119.9° |
| C24 | C25 | H18 | 120.2° | 119.9° |
| C22 | C23 | C25 | 120.3° | 120.1° |
| C22 | C23 | H16 | 119.8° | 120.0° |
| C23 | C22 | H29 | 119.6° | 120.1° |
| C25 | C23 | H16 | 119.9° | 119.9° |
| C23 | C25 | H18 | 120.1° | 119.9° |
| H111 | C12 | H112 | 109.5° | 109.4° |
| H111 | C12 | H113 | 109.4° | 109.5° |
| H112 | C12 | H113 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.4° |
| H25 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.4° | 109.4° |
| H32 | C3 | H2 | 109.5° | 109.6° |
| H1 | C10 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C29 | C28 | C30 | 119.7° | 120.0° |
| O5 | C29 | C28 | H22 | 119.6° | 120.0° |
| O5 | C29 | C30 | H22 | 121.3° | 120.0° |
| O5 | C29 | C28 | N1 | 156.1° | 65.0° |
| O5 | C29 | C30 | N6 | 85.1° | 65.0° |
| O5 | C29 | C28 | H20 | 35.6° | 55.0° |
| O5 | C29 | C28 | H21 | 83.5° | 175.0° |
| O5 | C29 | C30 | H23 | 35.6° | 175.0° |
| O5 | C29 | C30 | H24 | 154.3° | 55.0° |
| C28 | C29 | C30 | H22 | 120.7° | 120.0° |
| C29 | C28 | N1 | H20 | 120.4° | 120.0° |
| C29 | C28 | N1 | H21 | 120.4° | 120.0° |
| C29 | C28 | N1 | C27 | 171.8° | 125.0° |
| C29 | C28 | N1 | N4 | 6.4° | 55.0° |
| C28 | C29 | C30 | N6 | 32.9° | 175.0° |
| C29 | C28 | H20 | H21 | 118.7° | 120.0° |
| C28 | C29 | C30 | H23 | 153.5° | 55.0° |
| C28 | C29 | C30 | H24 | 87.7° | 65.0° |
| C28 | C29 | O5 | H40 | 101.5° | 60.0° |
| C30 | C29 | C28 | N1 | 84.2° | 175.0° |
| C29 | C30 | N6 | H23 | 120.7° | 120.0° |
| C29 | C30 | N6 | H24 | 120.6° | 120.0° |
| C29 | C30 | N6 | C32 | 82.7° | 89.9° |
| C29 | C30 | N6 | C31 | 102.8° | 90.0° |
| C30 | C29 | C28 | H20 | 155.3° | 65.0° |
| C30 | C29 | C28 | H21 | 36.2° | 55.0° |
| C29 | C30 | H23 | H24 | 118.0° | 120.0° |
| C30 | C29 | O5 | H40 | 19.0° | 60.0° |
| C28 | N1 | C27 | N4 | 178.4° | 180.0° |
| C28 | N1 | C27 | C26 | 177.5° | 180.0° |
| C28 | N1 | N4 | N3 | 178.2° | 179.9° |
| C28 | N1 | C27 | H19 | 2.5° | 0.0° |
| N1 | C28 | H20 | H21 | 118.7° | 120.0° |
| N1 | C28 | C29 | H22 | 36.4° | 55.0° |
| O4 | C4 | C3 | C5 | 123.1° | 119.8° |
| O4 | C4 | C3 | H4 | 120.4° | 120.3° |
| O4 | C4 | C3 | C2 | 179.2° | 176.8° |
| O4 | C4 | C5 | H4 | 118.9° | 120.3° |
| O4 | C4 | C5 | N5 | 57.4° | 63.3° |
| O4 | C4 | C5 | C11 | 179.0° | 176.8° |
| O4 | C4 | C5 | H5 | 63.1° | 56.8° |
| O4 | C4 | C3 | H32 | 58.9° | 56.9° |
| O4 | C4 | C3 | H2 | 60.5° | 63.3° |
| O1 | N8 | O11 | C32 | 178.7° | 180.0° |
| O1 | N8 | C32 | N6 | 1.6° | 180.0° |
| O1 | N8 | C32 | C34 | 178.6° | 0.2° |
| N1 | C27 | C26 | H19 | 180.0° | 180.0° |
| N1 | C27 | C26 | C10 | 174.8° | 179.9° |
| N1 | C27 | C26 | N3 | 1.0° | 0.0° |
| C27 | N1 | N4 | N3 | 0.3° | 0.0° |
| C27 | N1 | C28 | H20 | 51.4° | 5.0° |
| C27 | N1 | C28 | H21 | 67.8° | 115.0° |
| C26 | C27 | N1 | N4 | 0.9° | 0.0° |
| C27 | C26 | C10 | N3 | 175.3° | 179.9° |
| C27 | C26 | N3 | N4 | 0.9° | 0.0° |
| C27 | C26 | C10 | C2 | 176.1° | 125.0° |
| C27 | C26 | C10 | H1 | 62.0° | 5.0° |
| C27 | C26 | C10 | H6 | 54.3° | 115.0° |
| N1 | N4 | N3 | C26 | 0.3° | 0.0° |
| N4 | N1 | C27 | H19 | 179.1° | 180.0° |
| N4 | N1 | C28 | H20 | 126.8° | 175.0° |
| N4 | N1 | C28 | H21 | 114.0° | 65.0° |
| C4 | C3 | C2 | H32 | 120.3° | 119.9° |
| C4 | C3 | C2 | H2 | 120.3° | 119.9° |
| C4 | C3 | C2 | C10 | 179.4° | 177.6° |
| C3 | C4 | C5 | H4 | 116.5° | 119.9° |
| C4 | C3 | C2 | O6 | 56.4° | 57.6° |
| C4 | C3 | C2 | C1 | 65.9° | 62.4° |
| C3 | C4 | C5 | N5 | 178.0° | 176.9° |
| C3 | C4 | C5 | C11 | 56.3° | 57.0° |
| C3 | C4 | C5 | H5 | 61.5° | 63.0° |
| C4 | C3 | H32 | H2 | 119.1° | 120.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.1° |
| C3 | C2 | C10 | C26 | 116.8° | 175.0° |
| C3 | C2 | C10 | O6 | 122.0° | 119.9° |
| C3 | C2 | C10 | C1 | 115.5° | 120.0° |
| C2 | C3 | C4 | C5 | 57.7° | 57.0° |
| C3 | C2 | O6 | C1 | 118.1° | 120.0° |
| C3 | C2 | O6 | C11 | 57.5° | 61.2° |
| C3 | C2 | C1 | O1A | 36.2° | 25.1° |
| C3 | C2 | C1 | O1B | 144.7° | 154.9° |
| C2 | C3 | H32 | H2 | 119.2° | 120.2° |
| C2 | C3 | C4 | H4 | 58.8° | 62.9° |
| C3 | C2 | C10 | H1 | 5.0° | 55.1° |
| C3 | C2 | C10 | H6 | 121.4° | 65.0° |
| O10 | C8 | N5 | C5 | 2.1° | 0.0° |
| O10 | C8 | N5 | C12 | 179.9° | 180.0° |
| O10 | C8 | C12 | H111 | 0.0° | 180.0° |
| O10 | C8 | C12 | H112 | 120.0° | 60.0° |
| O10 | C8 | C12 | H113 | 120.0° | 60.0° |
| O10 | C8 | N5 | HN5 | 177.9° | 180.0° |
| C10 | C26 | N3 | N4 | 175.2° | 179.9° |
| C26 | C10 | C2 | H1 | 121.8° | 120.0° |
| C26 | C10 | C2 | H6 | 121.8° | 120.0° |
| C26 | C10 | C2 | O6 | 5.2° | 65.1° |
| C26 | C10 | C2 | C1 | 127.6° | 55.0° |
| C10 | C26 | C27 | H19 | 5.2° | 0.1° |
| C26 | C10 | H1 | H6 | 113.9° | 120.0° |
| N3 | C26 | C10 | C2 | 8.6° | 55.1° |
| N3 | C26 | C27 | H19 | 178.9° | 180.0° |
| N3 | C26 | C10 | H1 | 113.3° | 175.1° |
| N3 | C26 | C10 | H6 | 130.4° | 64.9° |
| C10 | C2 | O6 | C1 | 117.5° | 120.1° |
| C10 | C2 | O6 | C11 | 178.2° | 178.9° |
| C10 | C2 | C1 | O1A | 83.6° | 94.9° |
| C10 | C2 | C1 | O1B | 95.4° | 85.0° |
| C10 | C2 | C3 | H32 | 60.3° | 57.7° |
| C10 | C2 | C3 | H2 | 59.2° | 62.5° |
| C2 | C10 | H1 | H6 | 114.0° | 120.0° |
| C4 | C5 | N5 | C11 | 119.1° | 119.6° |
| C4 | C5 | N5 | H5 | 120.0° | 120.3° |
| C4 | C5 | C11 | H5 | 117.9° | 120.1° |
| C4 | C5 | N5 | C8 | 99.9° | 85.4° |
| C4 | C5 | C11 | O6 | 58.1° | 57.7° |
| C4 | C5 | C11 | C7 | 178.3° | 177.6° |
| C4 | C5 | C11 | H31 | 59.7° | 62.3° |
| C5 | C4 | C3 | H32 | 177.9° | 62.9° |
| C5 | C4 | C3 | H2 | 62.6° | 176.9° |
| C4 | C5 | N5 | HN5 | 80.1° | 94.6° |
| C5 | C4 | O4 | HO4 | 57.7° | 179.6° |
| O11 | N8 | C32 | N6 | 177.1° | 0.0° |
| O11 | N8 | C32 | C34 | 2.7° | 179.8° |
| N8 | C32 | N6 | C30 | 5.9° | 0.1° |
| N8 | C32 | N6 | C34 | 179.8° | 179.8° |
| N8 | C32 | N6 | C31 | 178.8° | 180.0° |
| N8 | C32 | C34 | N7 | 179.1° | 179.8° |
| N8 | C32 | C34 | H3 | 1.0° | 0.2° |
| C30 | N6 | C32 | C31 | 175.4° | 179.9° |
| C30 | N6 | C32 | C34 | 173.9° | 179.9° |
| C30 | N6 | C31 | C33 | 6.6° | 0.1° |
| C30 | N6 | C31 | N7 | 174.3° | 179.8° |
| N6 | C30 | C29 | H22 | 153.6° | 54.9° |
| N6 | C30 | H23 | H24 | 118.0° | 120.0° |
| C2 | O6 | C11 | C5 | 60.5° | 61.2° |
| O6 | C2 | C1 | O1A | 155.7° | 145.0° |
| O6 | C2 | C1 | O1B | 25.3° | 35.0° |
| C2 | O6 | C11 | C7 | 171.2° | 178.9° |
| C2 | O6 | C11 | H31 | 56.7° | 58.8° |
| O6 | C2 | C3 | H32 | 176.7° | 62.3° |
| O6 | C2 | C3 | H2 | 63.8° | 177.5° |
| O6 | C2 | C10 | H1 | 127.0° | 175.0° |
| O6 | C2 | C10 | H6 | 116.6° | 54.9° |
| C1 | C2 | O6 | C11 | 60.6° | 58.8° |
| C2 | C1 | O1A | O1B | 179.0° | 180.0° |
| C1 | C2 | C3 | H32 | 54.4° | 177.7° |
| C1 | C2 | C3 | H2 | 173.9° | 57.5° |
| C2 | C1 | O1B | HO1B | 178.9° | 180.0° |
| C1 | C2 | C10 | H1 | 110.5° | 65.0° |
| C1 | C2 | C10 | H6 | 5.8° | 175.0° |
| N5 | C5 | C11 | H5 | 121.5° | 120.1° |
| C5 | N5 | C8 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C8 | C12 | 178.0° | 180.0° |
| N5 | C5 | C11 | O6 | 178.7° | 177.5° |
| N5 | C5 | C11 | C7 | 57.7° | 62.5° |
| N5 | C5 | C11 | H31 | 60.9° | 57.5° |
| N5 | C5 | C4 | H4 | 61.5° | 57.0° |
| C11 | C5 | N5 | C8 | 141.0° | 155.0° |
| C5 | C11 | O6 | C7 | 128.3° | 120.0° |
| C5 | C11 | O6 | H31 | 117.2° | 120.0° |
| C5 | C11 | C7 | H31 | 118.5° | 120.0° |
| C5 | C11 | C7 | O3 | 0.4° | 60.1° |
| C5 | C11 | C7 | C6 | 120.8° | 180.0° |
| C5 | C11 | C7 | H7 | 119.4° | 59.9° |
| C11 | C5 | C4 | H4 | 60.2° | 62.9° |
| C11 | C5 | N5 | HN5 | 39.0° | 25.0° |
| C8 | N5 | C5 | H5 | 20.1° | 34.9° |
| N5 | C8 | C12 | H111 | 179.9° | 0.0° |
| N5 | C8 | C12 | H112 | 60.0° | 120.0° |
| N5 | C8 | C12 | H113 | 59.9° | 120.0° |
| C8 | C12 | H111 | H112 | 120.0° | 120.0° |
| C8 | C12 | H111 | H113 | 120.0° | 120.0° |
| C8 | C12 | H112 | H113 | 120.0° | 120.0° |
| C12 | C8 | N5 | HN5 | 2.0° | 0.0° |
| O6 | C11 | C7 | H31 | 115.2° | 120.1° |
| O6 | C11 | C7 | O3 | 125.8° | 180.0° |
| O6 | C11 | C7 | C6 | 112.9° | 60.0° |
| O6 | C11 | C5 | H5 | 59.8° | 62.4° |
| O6 | C11 | C7 | H7 | 6.8° | 60.0° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| N6 | C32 | C34 | N7 | 1.1° | 0.0° |
| C32 | N6 | C31 | C33 | 177.8° | 180.0° |
| C32 | N6 | C31 | N7 | 1.3° | 0.3° |
| C32 | N6 | C30 | H23 | 38.0° | 30.1° |
| C32 | N6 | C30 | H24 | 156.7° | 150.0° |
| N6 | C32 | C34 | H3 | 178.8° | 180.0° |
| C34 | C32 | N6 | C31 | 1.4° | 0.2° |
| C32 | C34 | N7 | H3 | 180.0° | 180.0° |
| C32 | C34 | N7 | C31 | 0.3° | 0.2° |
| N6 | C31 | N7 | C34 | 0.6° | 0.3° |
| N6 | C31 | C33 | N7 | 178.9° | 179.6° |
| C31 | N6 | C30 | H23 | 136.5° | 150.0° |
| C31 | N6 | C30 | H24 | 17.8° | 30.1° |
| N6 | C31 | C33 | H25 | 178.9° | 89.7° |
| N6 | C31 | C33 | H26 | 61.0° | 30.4° |
| N6 | C31 | C33 | H27 | 58.9° | 150.3° |
| C11 | C7 | O3 | C6 | 122.9° | 120.0° |
| C11 | C7 | O3 | H7 | 118.1° | 120.0° |
| C11 | C7 | C6 | H7 | 119.8° | 120.0° |
| C11 | C7 | C6 | O8 | 39.9° | 60.0° |
| C11 | C7 | C6 | C9 | 164.7° | 180.0° |
| C7 | C11 | C5 | H5 | 63.8° | 57.6° |
| C11 | C7 | C6 | H8 | 78.1° | 60.0° |
| C11 | C7 | O3 | HO7 | 180.0° | 59.9° |
| O3 | C7 | C6 | H7 | 119.9° | 120.0° |
| O3 | C7 | C6 | O8 | 160.2° | 180.0° |
| O3 | C7 | C6 | C9 | 74.9° | 60.0° |
| O3 | C7 | C11 | H31 | 118.9° | 59.9° |
| O3 | C7 | C6 | H8 | 42.3° | 60.0° |
| C34 | N7 | C31 | C33 | 178.4° | 180.0° |
| C31 | C33 | H25 | H26 | 120.0° | 120.0° |
| C31 | C33 | H25 | H27 | 120.0° | 120.1° |
| C31 | C33 | H26 | H27 | 120.0° | 120.0° |
| N7 | C31 | C33 | H25 | 0.0° | 89.9° |
| N7 | C31 | C33 | H26 | 120.0° | 150.0° |
| N7 | C31 | C33 | H27 | 120.0° | 30.1° |
| C31 | N7 | C34 | H3 | 179.6° | 179.8° |
| C7 | C6 | O8 | C9 | 125.0° | 120.0° |
| C7 | C6 | O8 | H8 | 117.2° | 120.0° |
| C7 | C6 | C9 | H8 | 117.2° | 120.0° |
| C7 | C6 | C9 | N2 | 120.6° | 180.0° |
| C6 | C7 | C11 | H31 | 2.3° | 60.0° |
| C7 | C6 | C9 | H91 | 0.0° | 60.0° |
| C7 | C6 | C9 | H92 | 118.7° | 60.0° |
| C6 | C7 | O3 | HO7 | 57.1° | 60.0° |
| C7 | C6 | O8 | HO8 | 180.0° | 60.0° |
| O8 | C6 | C9 | H8 | 118.5° | 120.1° |
| O8 | C6 | C9 | N2 | 3.6° | 60.0° |
| O8 | C6 | C7 | H7 | 79.9° | 60.0° |
| O8 | C6 | C9 | H91 | 124.3° | 60.0° |
| O8 | C6 | C9 | H92 | 117.0° | 180.0° |
| C6 | C9 | N2 | H91 | 120.6° | 120.0° |
| C6 | C9 | N2 | H92 | 120.6° | 120.0° |
| C6 | C9 | N2 | C13 | 90.1° | 180.0° |
| C9 | C6 | C7 | H7 | 44.9° | 60.0° |
| C6 | C9 | H91 | H92 | 118.1° | 120.0° |
| C9 | C6 | O8 | HO8 | 55.0° | 59.9° |
| C6 | C9 | N2 | H9 | 89.9° | 0.0° |
| O2 | C13 | N2 | C9 | 7.7° | 0.0° |
| O2 | C13 | N2 | C14 | 179.8° | 180.0° |
| O2 | C13 | C14 | C20 | 7.2° | 179.7° |
| O2 | C13 | C14 | C15 | 176.3° | 0.0° |
| O2 | C13 | N2 | H9 | 172.3° | 180.0° |
| C9 | N2 | C13 | H9 | 180.0° | 180.0° |
| C9 | N2 | C13 | C14 | 172.5° | 180.0° |
| N2 | C9 | C6 | H8 | 122.2° | 60.0° |
| N2 | C9 | H91 | H92 | 118.1° | 120.0° |
| N2 | C13 | C14 | C20 | 173.1° | 0.3° |
| N2 | C13 | C14 | C15 | 3.5° | 180.0° |
| C13 | N2 | C9 | H91 | 30.5° | 60.0° |
| C13 | N2 | C9 | H92 | 149.2° | 60.0° |
| C13 | C14 | C20 | C15 | 176.6° | 179.7° |
| C13 | C14 | C20 | C19 | 176.3° | 179.7° |
| C13 | C14 | C15 | C16 | 176.7° | 180.0° |
| C13 | C14 | C15 | H12 | 3.4° | 0.1° |
| C13 | C14 | C20 | H14 | 3.7° | 0.0° |
| C14 | C13 | N2 | H9 | 7.5° | 0.0° |
| C14 | C20 | C19 | H14 | 180.0° | 179.7° |
| C14 | C20 | C19 | C17 | 0.6° | 0.6° |
| C20 | C14 | C15 | C16 | 0.0° | 0.3° |
| C20 | C14 | C15 | H12 | 180.0° | 179.7° |
| C14 | C20 | C19 | H28 | 179.4° | 180.0° |
| C19 | C20 | C14 | C15 | 0.4° | 0.6° |
| C20 | C19 | C17 | H28 | 180.0° | 179.4° |
| C20 | C19 | C17 | C16 | 0.4° | 0.3° |
| C20 | C19 | C17 | C18 | 179.8° | 179.7° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H13 | 179.8° | 179.9° |
| C15 | C14 | C20 | H14 | 179.6° | 179.7° |
| C19 | C17 | C16 | C15 | 0.1° | 0.0° |
| C19 | C17 | C16 | C18 | 179.4° | 180.0° |
| C19 | C17 | C18 | C21 | 1.9° | 0.0° |
| C19 | C17 | C18 | C22 | 177.1° | 180.0° |
| C19 | C17 | C16 | H13 | 180.0° | 179.9° |
| C17 | C19 | C20 | H14 | 179.4° | 179.7° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C16 | C17 | C18 | C21 | 178.7° | 180.0° |
| C16 | C17 | C18 | C22 | 2.3° | 0.0° |
| C17 | C16 | C15 | H12 | 179.7° | 180.0° |
| C16 | C17 | C19 | H28 | 179.7° | 179.7° |
| C17 | C18 | C21 | C22 | 179.0° | 180.0° |
| C17 | C18 | C21 | C24 | 179.5° | 180.0° |
| C17 | C18 | C22 | C23 | 179.0° | 180.0° |
| C18 | C17 | C16 | H13 | 0.6° | 0.1° |
| C17 | C18 | C21 | H15 | 0.6° | 0.3° |
| C18 | C17 | C19 | H28 | 0.3° | 0.3° |
| C17 | C18 | C22 | H29 | 1.0° | 0.0° |
| C18 | C21 | C24 | H15 | 180.0° | 179.7° |
| C18 | C21 | C24 | C25 | 0.5° | 0.0° |
| C21 | C18 | C22 | C23 | 0.0° | 0.0° |
| C18 | C21 | C24 | H17 | 179.5° | 180.0° |
| C21 | C18 | C22 | H29 | 180.0° | 180.0° |
| C24 | C21 | C18 | C22 | 0.5° | 0.0° |
| C21 | C24 | C25 | H17 | 180.0° | 180.0° |
| C21 | C24 | C25 | C23 | 0.1° | 0.0° |
| C21 | C24 | C25 | H18 | 180.0° | 180.0° |
| C18 | C22 | C23 | H29 | 180.0° | 180.0° |
| C18 | C22 | C23 | C25 | 0.4° | 0.0° |
| C22 | C18 | C21 | H15 | 179.6° | 179.7° |
| C18 | C22 | C23 | H16 | 179.6° | 180.0° |
| C24 | C25 | C23 | C22 | 0.4° | 0.0° |
| C24 | C25 | C23 | H18 | 180.0° | 180.0° |
| C25 | C24 | C21 | H15 | 179.5° | 179.7° |
| C24 | C25 | C23 | H16 | 179.6° | 180.0° |
| C22 | C23 | C25 | H16 | 180.0° | 180.0° |
| C22 | C23 | C25 | H18 | 179.6° | 179.9° |
| C23 | C25 | C24 | H17 | 179.9° | 180.0° |
| C25 | C23 | C22 | H29 | 179.6° | 180.0° |
| H31 | C11 | C5 | H5 | 177.6° | 177.6° |
| H31 | C11 | C7 | H7 | 122.1° | 180.0° |
| H5 | C5 | C4 | H4 | 178.0° | 177.1° |
| H5 | C5 | N5 | HN5 | 159.9° | 145.1° |
| H7 | C7 | C6 | H8 | 162.1° | 180.0° |
| H7 | C7 | O3 | HO7 | 61.9° | 180.0° |
| H111 | C12 | H112 | H113 | 120.0° | 120.0° |
| H8 | C6 | C9 | H91 | 117.2° | 179.9° |
| H8 | C6 | C9 | H92 | 1.5° | 60.0° |
| H8 | C6 | O8 | HO8 | 62.8° | 180.0° |
| H91 | C9 | N2 | H9 | 149.5° | 120.0° |
| H92 | C9 | N2 | H9 | 30.7° | 120.0° |
| H12 | C15 | C16 | H13 | 0.2° | 0.1° |
| H14 | C20 | C19 | H28 | 0.6° | 0.3° |
| H15 | C21 | C24 | H17 | 0.5° | 0.3° |
| H16 | C23 | C25 | H18 | 0.4° | 0.0° |
| H16 | C23 | C22 | H29 | 0.4° | 0.0° |
| H17 | C24 | C25 | H18 | 0.1° | 0.0° |
| H20 | C28 | C29 | H22 | 84.0° | 175.0° |
| H21 | C28 | C29 | H22 | 156.8° | 65.0° |
| H22 | C29 | C30 | H23 | 85.8° | 65.0° |
| H22 | C29 | C30 | H24 | 33.0° | 175.0° |
| H22 | C29 | O5 | H40 | 139.6° | 180.0° |
| H25 | C33 | H26 | H27 | 120.0° | 119.9° |
| H32 | C3 | C4 | H4 | 61.4° | 177.2° |
| H2 | C3 | C4 | H4 | 179.1° | 57.0° |
| H4 | C4 | O4 | HO4 | 60.4° | 60.2° |
