A1BB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | N1 | sing | 1.42Å | 1.40Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| C3 | O2 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.58Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.54Å | 1.56Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C17 | sing | 1.43Å | 1.44Å | |
| C16 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O4 | sing | 1.44Å | 1.46Å | |
| O4 | C20 | sing | 1.37Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C23 | sing | 1.43Å | 1.43Å | |
| C22 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C26 | sing | 1.43Å | 1.42Å | |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.50Å | 1.50Å | |
| C28 | N2 | sing | 1.45Å | 1.45Å | |
| N2 | C29 | sing | 1.37Å | 1.34Å | |
| C29 | C30 | sing | 1.51Å | 1.48Å | |
| C29 | N3 | doub | 1.29Å | 1.31Å | |
| N3 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | O7 | sing | 1.43Å | 1.38Å | |
| C4 | C31 | sing | 1.54Å | 1.54Å | |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C28 | sing | 1.55Å | 1.58Å | |
| C13 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C31 | sing | 1.54Å | 1.55Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | N1 | 110.7° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | N1 | C2 | 116.8° | 120.0° |
| O1 | N1 | C3 | 119.6° | 120.0° |
| C2 | N1 | C3 | 123.6° | 120.0° |
| N1 | C2 | H5 | 109.5° | 109.5° |
| N1 | C2 | H6 | 109.5° | 109.5° |
| N1 | C2 | H4 | 109.5° | 109.5° |
| N1 | C3 | O2 | 122.0° | 120.0° |
| N1 | C3 | C4 | 113.6° | 120.0° |
| O2 | C3 | C4 | 124.4° | 120.0° |
| C3 | C4 | C5 | 110.2° | 110.4° |
| C3 | C4 | C31 | 113.5° | 111.2° |
| C3 | C4 | H7 | 109.2° | 110.3° |
| C4 | C5 | C6 | 121.9° | 110.5° |
| C4 | C5 | C12 | 102.3° | 102.5° |
| C5 | C4 | C31 | 105.3° | 104.5° |
| C5 | C4 | H7 | 109.5° | 110.4° |
| C4 | C5 | H8 | 106.5° | 110.6° |
| C5 | C6 | C7 | 117.3° | 120.0° |
| C6 | C5 | C12 | 112.4° | 111.2° |
| C5 | C6 | C11 | 123.4° | 120.0° |
| C6 | C5 | H8 | 106.6° | 110.5° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C7 | C6 | C11 | 119.3° | 120.0° |
| C6 | C7 | H9 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C8 | C7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H10 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C9 | C8 | H10 | 119.9° | 120.0° |
| C8 | C9 | H11 | 119.9° | 120.1° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C9 | C10 | H12 | 119.8° | 120.0° |
| C10 | C9 | H11 | 120.0° | 120.0° |
| C10 | C11 | C6 | 120.1° | 120.0° |
| C11 | C10 | H12 | 119.8° | 120.0° |
| C10 | C11 | H13 | 120.0° | 120.0° |
| C5 | C12 | C13 | 115.1° | 113.0° |
| C5 | C12 | O4 | 108.5° | 109.8° |
| C5 | C12 | C28 | 102.9° | 105.0° |
| C12 | C5 | H8 | 105.9° | 111.3° |
| C12 | C13 | C14 | 122.6° | 119.9° |
| C13 | C12 | O4 | 107.0° | 113.1° |
| C13 | C12 | C28 | 116.4° | 113.3° |
| C12 | C13 | C19 | 118.9° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C14 | C13 | C19 | 118.5° | 120.1° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C15 | C16 | O3 | 123.8° | 120.0° |
| C15 | C16 | C18 | 119.6° | 119.9° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C16 | O3 | C17 | 117.5° | 117.0° |
| O3 | C16 | C18 | 116.5° | 120.1° |
| O3 | C17 | H16 | 109.5° | 109.4° |
| O3 | C17 | H18 | 109.5° | 109.5° |
| O3 | C17 | H17 | 109.5° | 109.5° |
| C16 | C18 | C19 | 119.6° | 119.9° |
| C16 | C18 | H19 | 120.2° | 120.0° |
| C18 | C19 | C13 | 121.3° | 120.1° |
| C19 | C18 | H19 | 120.2° | 120.1° |
| C18 | C19 | H20 | 119.3° | 119.9° |
| C12 | O4 | C20 | 107.9° | 109.1° |
| O4 | C12 | C28 | 106.6° | 101.8° |
| O4 | C20 | C21 | 123.2° | 129.7° |
| O4 | C20 | C27 | 114.0° | 111.2° |
| C20 | C21 | C22 | 117.0° | 120.5° |
| C21 | C20 | C27 | 122.8° | 119.1° |
| C20 | C21 | H21 | 121.5° | 119.8° |
| C21 | C22 | O5 | 117.3° | 119.9° |
| C21 | C22 | C24 | 121.6° | 120.2° |
| C22 | C21 | H21 | 121.5° | 119.7° |
| C22 | O5 | C23 | 118.3° | 117.0° |
| O5 | C22 | C24 | 121.1° | 119.9° |
| O5 | C23 | H22 | 109.5° | 109.4° |
| O5 | C23 | H23 | 109.5° | 109.5° |
| O5 | C23 | H24 | 109.5° | 109.5° |
| C22 | C24 | C25 | 120.3° | 119.7° |
| C22 | C24 | H25 | 119.8° | 120.2° |
| C24 | C25 | O6 | 127.1° | 119.9° |
| C24 | C25 | C27 | 118.6° | 120.2° |
| C25 | C24 | H25 | 119.8° | 120.1° |
| C25 | O6 | C26 | 119.0° | 117.0° |
| O6 | C25 | C27 | 114.3° | 119.8° |
| O6 | C26 | H28 | 109.5° | 109.5° |
| O6 | C26 | H27 | 109.5° | 109.5° |
| O6 | C26 | H26 | 109.5° | 109.5° |
| C25 | C27 | C28 | 131.2° | 133.3° |
| C25 | C27 | C20 | 119.6° | 120.4° |
| C27 | C28 | N2 | 109.4° | 116.0° |
| C27 | C28 | C12 | 101.1° | 103.2° |
| C28 | C27 | C20 | 109.2° | 106.4° |
| C27 | C28 | C31 | 120.0° | 113.1° |
| C28 | N2 | C29 | 109.5° | 107.7° |
| N2 | C28 | C12 | 118.4° | 112.7° |
| N2 | C28 | C31 | 102.9° | 104.5° |
| C28 | N2 | H29 | 125.3° | 126.1° |
| N2 | C29 | C30 | 121.1° | 122.8° |
| N2 | C29 | N3 | 114.1° | 114.5° |
| C29 | N2 | H29 | 125.3° | 126.2° |
| C30 | C29 | N3 | 124.9° | 122.7° |
| C29 | C30 | H32 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.4° |
| C29 | N3 | C31 | 109.2° | 110.1° |
| N3 | C31 | O7 | 110.8° | 111.8° |
| N3 | C31 | C4 | 113.3° | 111.3° |
| N3 | C31 | C28 | 103.7° | 103.0° |
| O7 | C31 | C4 | 111.1° | 111.8° |
| O7 | C31 | C28 | 112.1° | 112.0° |
| C31 | O7 | H33 | 109.5° | 114.0° |
| C4 | C31 | C28 | 105.4° | 106.5° |
| C31 | C4 | H7 | 109.1° | 109.8° |
| C6 | C11 | H13 | 120.0° | 120.0° |
| C12 | C28 | C31 | 105.9° | 107.2° |
| C13 | C19 | H20 | 119.3° | 120.0° |
| H16 | C17 | H18 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C17 | H17 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H22 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H28 | C26 | H27 | 109.5° | 109.5° |
| H28 | C26 | H26 | 109.4° | 109.5° |
| H27 | C26 | H26 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H6 | C2 | H4 | 109.5° | 109.5° |
| H32 | C30 | H31 | 109.5° | 109.5° |
| H32 | C30 | H30 | 109.5° | 109.5° |
| H31 | C30 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | N1 | C2 | 82.7° | 93.3° |
| C1 | O1 | N1 | C3 | 94.7° | 86.7° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | N1 | C2 | C3 | 177.2° | 180.0° |
| O1 | N1 | C3 | O2 | 179.0° | 175.5° |
| O1 | N1 | C3 | C4 | 2.4° | 4.4° |
| N1 | O1 | C1 | H1 | 180.0° | 54.9° |
| N1 | O1 | C1 | H3 | 60.0° | 174.8° |
| N1 | O1 | C1 | H2 | 60.0° | 65.2° |
| O1 | N1 | C2 | H5 | 180.0° | 90.0° |
| O1 | N1 | C2 | H6 | 60.0° | 30.0° |
| O1 | N1 | C2 | H4 | 60.0° | 150.0° |
| C2 | N1 | C3 | O2 | 1.9° | 4.5° |
| C2 | N1 | C3 | C4 | 174.8° | 175.6° |
| N1 | C2 | H5 | H6 | 120.0° | 120.0° |
| N1 | C2 | H5 | H4 | 120.0° | 120.0° |
| N1 | C2 | H6 | H4 | 120.0° | 120.0° |
| N1 | C3 | O2 | C4 | 176.2° | 180.0° |
| N1 | C3 | C4 | C5 | 159.4° | 93.7° |
| N1 | C3 | C4 | C31 | 82.8° | 150.8° |
| C3 | N1 | C2 | H5 | 2.8° | 90.0° |
| C3 | N1 | C2 | H6 | 122.8° | 150.0° |
| C3 | N1 | C2 | H4 | 117.2° | 30.0° |
| N1 | C3 | C4 | H7 | 39.2° | 28.7° |
| O2 | C3 | C4 | C5 | 17.1° | 86.3° |
| O2 | C3 | C4 | C31 | 100.7° | 29.3° |
| O2 | C3 | C4 | H7 | 137.3° | 151.4° |
| C3 | C4 | C5 | C31 | 122.7° | 119.7° |
| C3 | C4 | C5 | H7 | 120.1° | 122.3° |
| C3 | C4 | C5 | C6 | 68.3° | 158.7° |
| C3 | C4 | C5 | C12 | 165.1° | 82.8° |
| C3 | C4 | C31 | N3 | 98.2° | 153.8° |
| C3 | C4 | C31 | O7 | 27.3° | 27.9° |
| C3 | C4 | C31 | H7 | 122.0° | 122.4° |
| C3 | C4 | C31 | C28 | 149.0° | 94.7° |
| C3 | C4 | C5 | H8 | 54.1° | 36.0° |
| C4 | C5 | C6 | C12 | 122.0° | 113.1° |
| C4 | C5 | C6 | H8 | 122.4° | 122.7° |
| C4 | C5 | C6 | C7 | 169.4° | 177.3° |
| C4 | C5 | C12 | H8 | 111.4° | 118.2° |
| C4 | C5 | C12 | C13 | 88.3° | 159.3° |
| C4 | C5 | C12 | O4 | 152.0° | 73.4° |
| C5 | C4 | C31 | N3 | 141.2° | 87.1° |
| C5 | C4 | C31 | O7 | 93.3° | 147.0° |
| C5 | C4 | C31 | H7 | 117.4° | 118.4° |
| C4 | C5 | C6 | C11 | 13.0° | 2.7° |
| C4 | C5 | C12 | C28 | 39.3° | 35.3° |
| C5 | C4 | C31 | C28 | 28.4° | 24.4° |
| C5 | C6 | C7 | C11 | 177.7° | 180.0° |
| C5 | C6 | C7 | C8 | 177.5° | 180.0° |
| C5 | C6 | C11 | C10 | 179.1° | 179.9° |
| C6 | C5 | C12 | H8 | 116.1° | 123.7° |
| C6 | C5 | C12 | C13 | 44.2° | 41.2° |
| C6 | C5 | C12 | O4 | 75.5° | 168.4° |
| C6 | C5 | C4 | C31 | 169.0° | 81.7° |
| C6 | C5 | C12 | C28 | 171.8° | 82.8° |
| C5 | C6 | C11 | H13 | 0.9° | 0.0° |
| C6 | C5 | C4 | H7 | 51.8° | 36.4° |
| C5 | C6 | C7 | H9 | 2.4° | 0.0° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 2.3° | 0.2° |
| C7 | C6 | C11 | C10 | 1.5° | 0.1° |
| C7 | C6 | C5 | C12 | 68.7° | 69.5° |
| C7 | C6 | C11 | H13 | 178.5° | 180.0° |
| C7 | C6 | C5 | H8 | 47.0° | 54.6° |
| C6 | C7 | C8 | H10 | 177.7° | 180.0° |
| C7 | C8 | C9 | H10 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 2.8° | 0.4° |
| C8 | C7 | C6 | C11 | 0.1° | 0.0° |
| C7 | C8 | C9 | H11 | 177.3° | 180.0° |
| C8 | C9 | C10 | H11 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 1.1° | 0.4° |
| C8 | C9 | C10 | H12 | 178.9° | 179.7° |
| C9 | C8 | C7 | H9 | 177.8° | 179.8° |
| C9 | C10 | C11 | H12 | 180.0° | 179.8° |
| C9 | C10 | C11 | C6 | 1.1° | 0.2° |
| C9 | C10 | C11 | H13 | 178.9° | 179.8° |
| C10 | C9 | C8 | H10 | 177.2° | 179.7° |
| C10 | C11 | C6 | H13 | 180.0° | 180.0° |
| C11 | C10 | C9 | H11 | 178.9° | 180.0° |
| C5 | C12 | C13 | O4 | 120.5° | 125.5° |
| C5 | C12 | C13 | C28 | 120.4° | 119.3° |
| C5 | C12 | C13 | C14 | 69.2° | 108.1° |
| C5 | C12 | O4 | C28 | 110.2° | 110.9° |
| C5 | C12 | O4 | C20 | 100.0° | 139.2° |
| C5 | C12 | C28 | C27 | 103.8° | 140.6° |
| C5 | C12 | C28 | N2 | 136.8° | 93.5° |
| C12 | C5 | C4 | C31 | 42.4° | 36.9° |
| C12 | C5 | C6 | C11 | 108.9° | 110.5° |
| C5 | C12 | C13 | C19 | 108.6° | 71.3° |
| C5 | C12 | C28 | C31 | 22.1° | 20.9° |
| C12 | C5 | C4 | H7 | 74.8° | 154.9° |
| C12 | C13 | C14 | C19 | 177.7° | 179.3° |
| C12 | C13 | C14 | C15 | 176.8° | 179.9° |
| C12 | C13 | C19 | C18 | 176.8° | 179.7° |
| C13 | C12 | O4 | C28 | 125.2° | 121.9° |
| C13 | C12 | O4 | C20 | 135.3° | 93.6° |
| C13 | C12 | C28 | C27 | 129.4° | 95.6° |
| C13 | C12 | C28 | N2 | 10.0° | 30.3° |
| C13 | C12 | C28 | C31 | 104.7° | 144.7° |
| C12 | C13 | C19 | H20 | 3.2° | 0.4° |
| C12 | C13 | C14 | H14 | 3.1° | 0.0° |
| C13 | C12 | C5 | H8 | 160.3° | 82.5° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.6° |
| C14 | C13 | C19 | C18 | 1.1° | 0.4° |
| C14 | C13 | C12 | O4 | 170.3° | 17.5° |
| C14 | C13 | C12 | C28 | 51.3° | 132.6° |
| C13 | C14 | C15 | H15 | 179.3° | 179.7° |
| C14 | C13 | C19 | H20 | 179.0° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | O3 | 178.1° | 179.7° |
| C14 | C15 | C16 | C18 | 0.7° | 0.3° |
| C15 | C14 | C13 | C19 | 0.9° | 0.6° |
| C15 | C16 | O3 | C18 | 178.8° | 180.0° |
| C15 | C16 | O3 | C17 | 1.9° | 180.0° |
| C15 | C16 | C18 | C19 | 0.8° | 0.0° |
| C15 | C16 | C18 | H19 | 179.2° | 179.9° |
| C16 | C15 | C14 | H14 | 179.3° | 179.4° |
| O3 | C16 | C18 | C19 | 178.0° | 180.0° |
| O3 | C16 | C15 | H15 | 2.0° | 0.0° |
| C16 | O3 | C17 | H16 | 180.0° | 180.0° |
| C16 | O3 | C17 | H18 | 60.0° | 60.1° |
| C16 | O3 | C17 | H17 | 60.0° | 60.0° |
| O3 | C16 | C18 | H19 | 2.0° | 0.0° |
| C17 | O3 | C16 | C18 | 176.9° | 0.0° |
| O3 | C17 | H16 | H18 | 120.0° | 120.0° |
| O3 | C17 | H16 | H17 | 120.0° | 120.0° |
| O3 | C17 | H18 | H17 | 120.0° | 120.0° |
| C16 | C18 | C19 | H19 | 180.0° | 180.0° |
| C16 | C18 | C19 | C13 | 1.1° | 0.0° |
| C18 | C16 | C15 | H15 | 179.3° | 180.0° |
| C16 | C18 | C19 | H20 | 179.0° | 180.0° |
| C18 | C19 | C13 | H20 | 180.0° | 180.0° |
| C12 | O4 | C20 | C21 | 174.3° | 160.8° |
| O4 | C12 | C28 | C27 | 10.2° | 26.1° |
| O4 | C12 | C28 | N2 | 109.2° | 152.0° |
| O4 | C12 | C13 | C19 | 12.0° | 163.2° |
| C12 | O4 | C20 | C27 | 5.9° | 19.7° |
| O4 | C12 | C28 | C31 | 136.1° | 93.5° |
| O4 | C12 | C5 | H8 | 40.6° | 44.8° |
| O4 | C20 | C21 | C27 | 179.8° | 179.5° |
| O4 | C20 | C21 | C22 | 178.6° | 179.1° |
| O4 | C20 | C27 | C25 | 179.5° | 179.1° |
| O4 | C20 | C27 | C28 | 1.2° | 1.3° |
| C20 | O4 | C12 | C28 | 10.1° | 28.3° |
| O4 | C20 | C21 | H21 | 1.4° | 0.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | O5 | 179.9° | 180.0° |
| C20 | C21 | C22 | C24 | 1.5° | 0.0° |
| C21 | C20 | C27 | C25 | 0.3° | 0.5° |
| C21 | C20 | C27 | C28 | 178.6° | 179.2° |
| C21 | C22 | O5 | C24 | 178.4° | 179.9° |
| C21 | C22 | O5 | C23 | 169.2° | 180.0° |
| C21 | C22 | C24 | C25 | 1.0° | 0.2° |
| C22 | C21 | C20 | C27 | 1.2° | 0.3° |
| C21 | C22 | C24 | H25 | 179.0° | 179.9° |
| O5 | C22 | C24 | C25 | 179.3° | 179.9° |
| O5 | C22 | C21 | H21 | 0.1° | 0.1° |
| C22 | O5 | C23 | H22 | 180.0° | 60.0° |
| C22 | O5 | C23 | H23 | 60.0° | 180.0° |
| C22 | O5 | C23 | H24 | 60.0° | 60.0° |
| O5 | C22 | C24 | H25 | 0.7° | 0.1° |
| C23 | O5 | C22 | C24 | 12.5° | 0.1° |
| O5 | C23 | H22 | H23 | 120.0° | 120.0° |
| O5 | C23 | H22 | H24 | 120.0° | 120.0° |
| O5 | C23 | H23 | H24 | 120.0° | 120.1° |
| C22 | C24 | C25 | H25 | 180.0° | 179.9° |
| C22 | C24 | C25 | O6 | 179.8° | 180.0° |
| C22 | C24 | C25 | C27 | 0.0° | 0.0° |
| C24 | C22 | C21 | H21 | 178.5° | 180.0° |
| C24 | C25 | O6 | C27 | 179.7° | 180.0° |
| C24 | C25 | O6 | C26 | 11.0° | 0.0° |
| C24 | C25 | C27 | C28 | 177.6° | 179.3° |
| C24 | C25 | C27 | C20 | 0.3° | 0.3° |
| O6 | C25 | C27 | C28 | 2.7° | 0.8° |
| O6 | C25 | C27 | C20 | 179.5° | 179.6° |
| O6 | C25 | C24 | H25 | 0.2° | 0.1° |
| C25 | O6 | C26 | H28 | 180.0° | 60.0° |
| C25 | O6 | C26 | H27 | 60.0° | 60.0° |
| C25 | O6 | C26 | H26 | 60.0° | 180.0° |
| C26 | O6 | C25 | C27 | 169.2° | 180.0° |
| O6 | C26 | H28 | H27 | 120.0° | 120.0° |
| O6 | C26 | H28 | H26 | 120.0° | 120.0° |
| O6 | C26 | H27 | H26 | 120.0° | 120.0° |
| C25 | C27 | C28 | C20 | 178.0° | 179.6° |
| C25 | C27 | C28 | N2 | 59.4° | 40.0° |
| C25 | C27 | C28 | C12 | 174.9° | 163.8° |
| C25 | C27 | C28 | C31 | 59.1° | 80.7° |
| C27 | C25 | C24 | H25 | 179.9° | 180.0° |
| C27 | C28 | N2 | C12 | 115.0° | 118.7° |
| C27 | C28 | N2 | C31 | 128.7° | 125.2° |
| C27 | C28 | N2 | C29 | 126.8° | 130.2° |
| C27 | C28 | C31 | N3 | 124.3° | 132.2° |
| C27 | C28 | C31 | O7 | 4.6° | 11.8° |
| C27 | C28 | C31 | C4 | 116.4° | 110.7° |
| C27 | C28 | C12 | C31 | 125.9° | 119.6° |
| C27 | C28 | N2 | H29 | 53.2° | 49.8° |
| C28 | N2 | C29 | H29 | 180.0° | 180.0° |
| C28 | N2 | C29 | C30 | 174.7° | 177.0° |
| C28 | N2 | C29 | N3 | 6.4° | 3.0° |
| N2 | C28 | C31 | N3 | 2.5° | 5.1° |
| N2 | C28 | C31 | O7 | 117.1° | 115.2° |
| N2 | C28 | C31 | C4 | 121.8° | 122.3° |
| N2 | C28 | C12 | C31 | 114.7° | 114.4° |
| N2 | C28 | C27 | C20 | 118.6° | 139.6° |
| N2 | C29 | C30 | N3 | 178.8° | 180.0° |
| N2 | C29 | N3 | C31 | 8.2° | 0.6° |
| C29 | N2 | C28 | C12 | 118.2° | 111.1° |
| C29 | N2 | C28 | C31 | 1.9° | 5.0° |
| N2 | C29 | C30 | H32 | 178.8° | 175.1° |
| N2 | C29 | C30 | H31 | 61.2° | 55.0° |
| N2 | C29 | C30 | H30 | 58.8° | 64.9° |
| C30 | C29 | N3 | C31 | 173.0° | 179.4° |
| C29 | C30 | H32 | H31 | 120.0° | 120.0° |
| C29 | C30 | H32 | H30 | 120.0° | 120.0° |
| C29 | C30 | H31 | H30 | 120.0° | 120.0° |
| C30 | C29 | N2 | H29 | 5.3° | 3.0° |
| C29 | N3 | C31 | O7 | 114.3° | 116.7° |
| C29 | N3 | C31 | C4 | 120.0° | 117.4° |
| C29 | N3 | C31 | C28 | 6.3° | 3.7° |
| N3 | C29 | C30 | H32 | 0.0° | 4.9° |
| N3 | C29 | C30 | H31 | 120.0° | 124.9° |
| N3 | C29 | C30 | H30 | 120.0° | 115.1° |
| N3 | C29 | N2 | H29 | 173.6° | 177.0° |
| N3 | C31 | O7 | C4 | 126.9° | 125.6° |
| N3 | C31 | O7 | C28 | 115.4° | 115.0° |
| N3 | C31 | C4 | C28 | 112.8° | 111.5° |
| N3 | C31 | C28 | C12 | 122.4° | 114.7° |
| N3 | C31 | C4 | H7 | 23.8° | 31.4° |
| N3 | C31 | O7 | H33 | 180.0° | 69.9° |
| O7 | C31 | C4 | C28 | 121.7° | 122.6° |
| O7 | C31 | C28 | C12 | 117.9° | 125.0° |
| O7 | C31 | C4 | H7 | 149.3° | 94.5° |
| C4 | C31 | C28 | C12 | 3.1° | 2.5° |
| C31 | C4 | C5 | H8 | 68.6° | 155.7° |
| C4 | C31 | O7 | H33 | 53.1° | 55.7° |
| C6 | C11 | C10 | H12 | 178.9° | 180.0° |
| C11 | C6 | C5 | H8 | 135.4° | 125.4° |
| C11 | C6 | C7 | H9 | 179.9° | 180.0° |
| C28 | C12 | C13 | C19 | 131.0° | 48.1° |
| C12 | C28 | C27 | C20 | 7.0° | 15.8° |
| C28 | C12 | C5 | H8 | 72.1° | 153.5° |
| C12 | C28 | N2 | H29 | 61.8° | 68.9° |
| C13 | C19 | C18 | H19 | 178.9° | 179.9° |
| C19 | C13 | C14 | H14 | 179.1° | 179.3° |
| C20 | C27 | C28 | C31 | 122.9° | 99.7° |
| C27 | C20 | C21 | H21 | 178.8° | 179.6° |
| C28 | C31 | C4 | H7 | 89.0° | 142.9° |
| C31 | C28 | N2 | H29 | 178.1° | 175.0° |
| C28 | C31 | O7 | H33 | 64.6° | 175.1° |
| H15 | C15 | C14 | H14 | 0.7° | 0.3° |
| H16 | C17 | H18 | H17 | 120.0° | 120.0° |
| H19 | C18 | C19 | H20 | 1.0° | 0.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H28 | C26 | H27 | H26 | 120.0° | 120.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.1° |
| H12 | C10 | C11 | H13 | 1.1° | 0.1° |
| H12 | C10 | C9 | H11 | 1.1° | 0.2° |
| H5 | C2 | H6 | H4 | 120.0° | 120.0° |
| H32 | C30 | H31 | H30 | 120.0° | 120.0° |
| H7 | C4 | C5 | H8 | 174.2° | 86.3° |
| H9 | C7 | C8 | H10 | 2.3° | 0.0° |
| H10 | C8 | C9 | H11 | 2.8° | 0.2° |
