A1L3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O05 | sing | 1.36Å | 1.39Å | |
| C12 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| O05 | C16 | sing | 1.36Å | 1.37Å | |
| C20 | C09 | doub | 1.39Å | 1.46Å | Aromatic |
| C20 | O08 | sing | 1.36Å | 1.39Å | |
| C09 | N03 | sing | 1.41Å | 1.45Å | |
| O08 | C21 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | doub | 1.36Å | 1.35Å | |
| C16 | C10 | sing | 1.41Å | 1.49Å | |
| C15 | N05 | sing | 1.37Å | 1.40Å | |
| N03 | C10 | sing | 1.38Å | 1.34Å | |
| C10 | N04 | doub | 1.32Å | 1.42Å | |
| N05 | C13 | sing | 1.47Å | 1.48Å | |
| N05 | C11 | sing | 1.34Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| N04 | C11 | sing | 1.33Å | 1.32Å | |
| N02 | C22 | sing | 1.47Å | 1.47Å | |
| C11 | O06 | doub | 1.22Å | 1.34Å | |
| C21 | C22 | sing | 1.53Å | 1.59Å | |
| C08 | C06 | sing | 1.53Å | 1.59Å | |
| C08 | O01 | sing | 1.43Å | 1.41Å | |
| C14 | N06 | sing | 1.35Å | 1.44Å | |
| C14 | O07 | doub | 1.21Å | 1.22Å | |
| C06 | O02 | sing | 1.43Å | 1.45Å | |
| O01 | C03 | sing | 1.43Å | 1.43Å | |
| N06 | C23 | sing | 1.46Å | 1.50Å | |
| O02 | C02 | sing | 1.43Å | 1.47Å | |
| C23 | C07 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C07 | O03 | sing | 1.43Å | 1.44Å | |
| C01 | O03 | sing | 1.43Å | 1.43Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| N02 | H27 | sing | 1.01Å | 1.00Å | |
| N02 | H28 | sing | 1.01Å | 1.00Å | |
| N06 | H31 | sing | 0.97Å | 1.00Å | |
| C03 | C04 | sing | 1.53Å | 32.92Å | |
| C04 | N01 | sing | 1.47Å | 0.00Å | |
| C04 | H29 | sing | 1.09Å | 0.00Å | |
| C04 | H32 | sing | 1.09Å | 0.00Å | |
| N01 | H33 | sing | 1.01Å | 0.00Å | |
| N01 | H34 | sing | 1.01Å | 0.00Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 121.4° | 120.4° |
| C18 | C17 | C12 | 120.4° | 120.1° |
| C18 | C17 | H5 | 119.8° | 119.9° |
| C17 | C18 | H23 | 119.3° | 119.9° |
| C18 | C19 | C20 | 120.4° | 119.9° |
| C19 | C18 | H23 | 119.3° | 119.8° |
| C18 | C19 | H24 | 119.8° | 120.0° |
| C17 | C12 | O05 | 114.3° | 119.9° |
| C17 | C12 | C09 | 121.3° | 119.6° |
| C12 | C17 | H5 | 119.8° | 120.0° |
| C19 | C20 | C09 | 119.4° | 119.8° |
| C19 | C20 | O08 | 116.5° | 120.1° |
| C20 | C19 | H24 | 119.8° | 120.0° |
| O05 | C12 | C09 | 124.4° | 120.5° |
| C12 | O05 | C16 | 119.1° | 119.2° |
| C12 | C09 | C20 | 117.1° | 120.2° |
| C12 | C09 | N03 | 117.4° | 119.5° |
| O05 | C16 | C15 | 120.5° | 120.7° |
| O05 | C16 | C10 | 116.8° | 120.5° |
| C09 | C20 | O08 | 124.0° | 120.1° |
| C20 | C09 | N03 | 125.6° | 120.4° |
| C20 | O08 | C21 | 118.9° | 117.0° |
| C09 | N03 | C10 | 117.0° | 118.0° |
| C09 | N03 | H4 | 121.5° | 121.0° |
| O08 | C21 | C22 | 111.5° | 109.5° |
| O08 | C21 | H6 | 109.0° | 109.4° |
| O08 | C21 | H7 | 109.0° | 109.5° |
| C15 | C16 | C10 | 122.8° | 118.8° |
| C16 | C15 | N05 | 121.7° | 119.0° |
| C16 | C15 | H3 | 119.2° | 120.5° |
| C16 | C10 | N03 | 125.4° | 119.1° |
| C16 | C10 | N04 | 113.9° | 120.0° |
| C15 | N05 | C13 | 124.0° | 119.8° |
| C15 | N05 | C11 | 113.7° | 120.4° |
| N05 | C15 | H3 | 119.2° | 120.5° |
| N03 | C10 | N04 | 120.8° | 120.9° |
| C10 | N03 | H4 | 121.5° | 121.0° |
| C10 | N04 | C11 | 119.3° | 120.5° |
| C13 | N05 | C11 | 122.2° | 119.8° |
| N05 | C13 | C14 | 106.3° | 109.5° |
| N05 | C13 | H1 | 110.2° | 109.4° |
| N05 | C13 | H2 | 110.2° | 109.4° |
| N05 | C11 | N04 | 128.7° | 121.2° |
| N05 | C11 | O06 | 111.4° | 119.4° |
| C13 | C14 | N06 | 123.3° | 120.0° |
| C13 | C14 | O07 | 118.0° | 120.0° |
| C14 | C13 | H1 | 110.3° | 109.5° |
| C14 | C13 | H2 | 110.2° | 109.5° |
| N04 | C11 | O06 | 119.9° | 119.4° |
| N02 | C22 | C21 | 113.5° | 109.5° |
| N02 | C22 | H8 | 108.4° | 109.5° |
| N02 | C22 | H9 | 108.5° | 109.5° |
| C22 | N02 | H27 | 109.5° | 111.0° |
| C22 | N02 | H28 | 109.5° | 111.0° |
| C22 | C21 | H6 | 109.0° | 109.4° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C21 | C22 | H8 | 108.5° | 109.4° |
| C21 | C22 | H9 | 108.4° | 109.5° |
| C06 | C08 | O01 | 110.8° | 109.5° |
| C08 | C06 | O02 | 114.3° | 109.5° |
| C08 | C06 | H17 | 108.2° | 109.5° |
| C08 | C06 | H18 | 108.3° | 109.5° |
| C06 | C08 | H21 | 109.1° | 109.5° |
| C06 | C08 | H22 | 109.1° | 109.4° |
| C08 | O01 | C03 | 115.4° | 114.0° |
| O01 | C08 | H21 | 109.1° | 109.5° |
| O01 | C08 | H22 | 109.1° | 109.5° |
| N06 | C14 | O07 | 118.7° | 120.0° |
| C14 | N06 | C23 | 126.3° | 120.0° |
| C14 | N06 | H31 | 116.8° | 120.0° |
| C06 | O02 | C02 | 116.7° | 114.0° |
| O02 | C06 | H17 | 108.3° | 109.5° |
| O02 | C06 | H18 | 108.2° | 109.5° |
| O01 | C03 | H14 | 124.9° | 109.4° |
| O01 | C03 | H15 | 124.9° | 109.5° |
| O01 | C03 | C04 | 14.6° | 109.4° |
| N06 | C23 | C07 | 113.5° | 109.5° |
| N06 | C23 | H25 | 108.5° | 109.5° |
| N06 | C23 | H26 | 108.5° | 109.5° |
| C23 | N06 | H31 | 116.9° | 119.9° |
| O02 | C02 | C01 | 109.7° | 109.5° |
| O02 | C02 | H12 | 109.5° | 109.5° |
| O02 | C02 | H13 | 109.4° | 109.5° |
| C23 | C07 | O03 | 110.9° | 109.4° |
| C23 | C07 | H19 | 109.1° | 109.5° |
| C23 | C07 | H20 | 109.1° | 109.5° |
| C07 | C23 | H25 | 108.5° | 109.4° |
| C07 | C23 | H26 | 108.4° | 109.5° |
| C02 | C01 | O03 | 108.5° | 109.5° |
| C02 | C01 | H10 | 109.7° | 109.5° |
| C02 | C01 | H11 | 109.7° | 109.5° |
| C01 | C02 | H12 | 109.4° | 109.4° |
| C01 | C02 | H13 | 109.4° | 109.4° |
| C07 | O03 | C01 | 119.7° | 114.0° |
| O03 | C07 | H19 | 109.1° | 109.4° |
| O03 | C07 | H20 | 109.1° | 109.5° |
| O03 | C01 | H10 | 109.7° | 109.5° |
| O03 | C01 | H11 | 109.7° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H14 | C03 | C04 | 124.9° | 109.5° |
| H15 | C03 | C04 | 124.9° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.4° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H27 | N02 | H28 | 109.5° | 111.0° |
| C03 | C04 | N01 | 90.0° | 109.5° |
| C03 | C04 | H29 | 90.0° | 109.4° |
| C03 | C04 | H32 | 90.0° | 109.5° |
| N01 | C04 | H29 | 90.0° | 109.5° |
| N01 | C04 | H32 | 90.0° | 109.5° |
| C04 | N01 | H33 | 90.0° | 111.1° |
| C04 | N01 | H34 | 90.0° | 111.0° |
| H29 | C04 | H32 | 90.0° | 109.5° |
| H33 | N01 | H34 | 90.0° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H23 | 180.0° | 179.8° |
| C18 | C17 | C12 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | C17 | C12 | O05 | 179.2° | 179.8° |
| C18 | C17 | C12 | C09 | 0.2° | 0.2° |
| C17 | C18 | C19 | H24 | 179.8° | 180.0° |
| C19 | C18 | C17 | C12 | 0.2° | 0.1° |
| C18 | C19 | C20 | H24 | 180.0° | 179.9° |
| C18 | C19 | C20 | C09 | 0.3° | 0.0° |
| C18 | C19 | C20 | O08 | 179.3° | 179.9° |
| C19 | C18 | C17 | H5 | 179.8° | 179.9° |
| C17 | C12 | O05 | C09 | 179.3° | 180.0° |
| C17 | C12 | O05 | C16 | 179.7° | 165.2° |
| C17 | C12 | C09 | C20 | 0.3° | 0.1° |
| C17 | C12 | C09 | N03 | 179.9° | 179.7° |
| C12 | C17 | C18 | H23 | 179.8° | 180.0° |
| C19 | C20 | C09 | C12 | 0.4° | 0.0° |
| C19 | C20 | C09 | O08 | 178.9° | 179.9° |
| C19 | C20 | C09 | N03 | 179.9° | 179.8° |
| C19 | C20 | O08 | C21 | 89.7° | 0.0° |
| C20 | C19 | C18 | H23 | 179.8° | 179.9° |
| O05 | C12 | C09 | C20 | 179.0° | 179.9° |
| O05 | C12 | C09 | N03 | 0.6° | 0.3° |
| C12 | O05 | C16 | C15 | 179.5° | 165.1° |
| C12 | O05 | C16 | C10 | 0.6° | 15.0° |
| O05 | C12 | C17 | H5 | 0.8° | 0.2° |
| C09 | C12 | O05 | C16 | 0.9° | 14.8° |
| C12 | C09 | C20 | N03 | 179.6° | 179.8° |
| C12 | C09 | C20 | O08 | 179.3° | 179.9° |
| C12 | C09 | N03 | C10 | 0.0° | 13.9° |
| C09 | C12 | C17 | H5 | 179.8° | 179.8° |
| C12 | C09 | N03 | H4 | 180.0° | 166.2° |
| O05 | C16 | C15 | C10 | 179.9° | 179.9° |
| O05 | C16 | C15 | N05 | 179.4° | 179.8° |
| O05 | C16 | C10 | N03 | 0.1° | 0.7° |
| O05 | C16 | C10 | N04 | 179.7° | 179.6° |
| O05 | C16 | C15 | H3 | 0.6° | 0.3° |
| C09 | C20 | O08 | C21 | 91.4° | 180.0° |
| C20 | C09 | N03 | C10 | 179.6° | 166.0° |
| C09 | C20 | C19 | H24 | 179.7° | 179.9° |
| C20 | C09 | N03 | H4 | 0.4° | 14.0° |
| O08 | C20 | C09 | N03 | 1.2° | 0.2° |
| C20 | O08 | C21 | C22 | 176.3° | 180.0° |
| C20 | O08 | C21 | H6 | 56.0° | 60.1° |
| C20 | O08 | C21 | H7 | 63.4° | 60.0° |
| O08 | C20 | C19 | H24 | 0.7° | 0.0° |
| C09 | N03 | C10 | C16 | 0.2° | 13.6° |
| C09 | N03 | C10 | H4 | 180.0° | 180.0° |
| C09 | N03 | C10 | N04 | 179.4° | 166.2° |
| O08 | C21 | C22 | N02 | 48.6° | 65.0° |
| O08 | C21 | C22 | H6 | 120.3° | 119.9° |
| O08 | C21 | C22 | H7 | 120.3° | 120.0° |
| O08 | C21 | H6 | H7 | 119.1° | 120.0° |
| O08 | C21 | C22 | H8 | 72.0° | 175.0° |
| O08 | C21 | C22 | H9 | 169.2° | 55.0° |
| C16 | C15 | N05 | H3 | 180.0° | 179.9° |
| C15 | C16 | C10 | N03 | 180.0° | 179.5° |
| C15 | C16 | C10 | N04 | 0.4° | 0.3° |
| C16 | C15 | N05 | C13 | 178.0° | 179.9° |
| C16 | C15 | N05 | C11 | 1.2° | 0.1° |
| C10 | C16 | C15 | N05 | 0.7° | 0.1° |
| C16 | C10 | N03 | N04 | 179.6° | 179.8° |
| C16 | C10 | N04 | C11 | 0.7° | 0.3° |
| C10 | C16 | C15 | H3 | 179.3° | 179.8° |
| C16 | C10 | N03 | H4 | 179.7° | 166.5° |
| C15 | N05 | C13 | C11 | 176.5° | 180.0° |
| C15 | N05 | C13 | C14 | 102.3° | 90.0° |
| C15 | N05 | C11 | N04 | 1.7° | 0.2° |
| C15 | N05 | C11 | O06 | 179.0° | 179.8° |
| C15 | N05 | C13 | H1 | 138.2° | 30.1° |
| C15 | N05 | C13 | H2 | 17.2° | 150.0° |
| N03 | C10 | N04 | C11 | 179.7° | 179.5° |
| C10 | N04 | C11 | N05 | 1.5° | 0.0° |
| C10 | N04 | C11 | O06 | 179.3° | 180.0° |
| N04 | C10 | N03 | H4 | 0.6° | 13.8° |
| N05 | C13 | C14 | H1 | 119.5° | 120.0° |
| N05 | C13 | C14 | H2 | 119.5° | 120.0° |
| C13 | N05 | C11 | N04 | 178.5° | 179.8° |
| C13 | N05 | C11 | O06 | 2.2° | 0.1° |
| N05 | C13 | C14 | N06 | 167.3° | 180.0° |
| N05 | C13 | C14 | O07 | 12.5° | 0.0° |
| N05 | C13 | H1 | H2 | 121.4° | 119.9° |
| C13 | N05 | C15 | H3 | 2.0° | 0.0° |
| C11 | N05 | C13 | C14 | 74.2° | 90.0° |
| N05 | C11 | N04 | O06 | 179.2° | 180.0° |
| C11 | N05 | C13 | H1 | 45.3° | 150.0° |
| C11 | N05 | C13 | H2 | 166.3° | 30.1° |
| C11 | N05 | C15 | H3 | 178.8° | 179.9° |
| C13 | C14 | N06 | O07 | 179.8° | 180.0° |
| C13 | C14 | N06 | C23 | 179.9° | 180.0° |
| C14 | C13 | H1 | H2 | 121.5° | 120.1° |
| C13 | C14 | N06 | H31 | 0.1° | 0.0° |
| N02 | C22 | C21 | H8 | 120.6° | 120.0° |
| N02 | C22 | C21 | H9 | 120.6° | 120.0° |
| N02 | C22 | C21 | H6 | 71.7° | 175.0° |
| N02 | C22 | C21 | H7 | 168.9° | 55.0° |
| N02 | C22 | H8 | H9 | 118.2° | 120.0° |
| C22 | N02 | H27 | H28 | 120.0° | 124.0° |
| C22 | C21 | H6 | H7 | 119.1° | 120.0° |
| C21 | C22 | H8 | H9 | 118.2° | 120.0° |
| C21 | C22 | N02 | H27 | 180.0° | 56.0° |
| C21 | C22 | N02 | H28 | 60.0° | 180.0° |
| C06 | C08 | O01 | H21 | 120.2° | 120.0° |
| C06 | C08 | O01 | H22 | 120.2° | 120.0° |
| C08 | C06 | O02 | H17 | 120.7° | 120.0° |
| C08 | C06 | O02 | H18 | 120.7° | 120.0° |
| C06 | C08 | O01 | C03 | 112.3° | 180.0° |
| C08 | C06 | O02 | C02 | 82.8° | 180.0° |
| C08 | C06 | H17 | H18 | 117.8° | 120.0° |
| C06 | C08 | H21 | H22 | 119.4° | 119.9° |
| O01 | C08 | C06 | O02 | 66.9° | 65.0° |
| C08 | O01 | C03 | H14 | 48.2° | 60.0° |
| C08 | O01 | C03 | H15 | 142.1° | 60.0° |
| O01 | C08 | C06 | H17 | 172.3° | 175.0° |
| O01 | C08 | C06 | H18 | 53.8° | 55.0° |
| O01 | C08 | H21 | H22 | 119.4° | 120.1° |
| C08 | O01 | C03 | C04 | 46.9° | 180.0° |
| C14 | N06 | C23 | H31 | 180.0° | 180.0° |
| C14 | N06 | C23 | C07 | 148.3° | 180.0° |
| N06 | C14 | C13 | H1 | 47.8° | 60.0° |
| N06 | C14 | C13 | H2 | 73.2° | 60.0° |
| C14 | N06 | C23 | H25 | 91.1° | 60.0° |
| C14 | N06 | C23 | H26 | 27.7° | 60.0° |
| O07 | C14 | N06 | C23 | 0.1° | 0.0° |
| O07 | C14 | C13 | H1 | 132.0° | 120.0° |
| O07 | C14 | C13 | H2 | 107.0° | 120.0° |
| O07 | C14 | N06 | H31 | 179.9° | 180.0° |
| C06 | O02 | C02 | C01 | 156.4° | 180.0° |
| C06 | O02 | C02 | H12 | 83.6° | 60.0° |
| C06 | O02 | C02 | H13 | 36.4° | 60.0° |
| O02 | C06 | H17 | H18 | 117.8° | 120.0° |
| O02 | C06 | C08 | H21 | 172.9° | 175.0° |
| O02 | C06 | C08 | H22 | 53.3° | 55.0° |
| O01 | C03 | H14 | H15 | 171.1° | 120.0° |
| O01 | C03 | H14 | C04 | 17.9° | 119.9° |
| O01 | C03 | H15 | C04 | 17.9° | 120.0° |
| C03 | O01 | C08 | H21 | 127.5° | 60.0° |
| C03 | O01 | C08 | H22 | 7.9° | 60.0° |
| O01 | C03 | C04 | N01 | 90.0° | 65.0° |
| O01 | C03 | C04 | H29 | 90.0° | 175.0° |
| O01 | C03 | C04 | H32 | 90.0° | 55.1° |
| N06 | C23 | C07 | H25 | 120.6° | 120.0° |
| N06 | C23 | C07 | H26 | 120.6° | 120.1° |
| N06 | C23 | C07 | O03 | 114.2° | 65.0° |
| N06 | C23 | C07 | H19 | 6.0° | 175.0° |
| N06 | C23 | C07 | H20 | 125.5° | 55.0° |
| N06 | C23 | H25 | H26 | 118.2° | 120.0° |
| O02 | C02 | C01 | H12 | 120.0° | 120.0° |
| O02 | C02 | C01 | H13 | 120.0° | 120.0° |
| O02 | C02 | C01 | O03 | 57.2° | 65.0° |
| O02 | C02 | C01 | H10 | 177.1° | 175.0° |
| O02 | C02 | C01 | H11 | 62.6° | 55.0° |
| O02 | C02 | H12 | H13 | 119.9° | 120.1° |
| C02 | O02 | C06 | H17 | 156.5° | 60.0° |
| C02 | O02 | C06 | H18 | 37.9° | 60.0° |
| C23 | C07 | O03 | H19 | 120.2° | 120.0° |
| C23 | C07 | O03 | H20 | 120.2° | 120.0° |
| C23 | C07 | O03 | C01 | 136.9° | 180.0° |
| C23 | C07 | H19 | H20 | 119.3° | 120.0° |
| C07 | C23 | H25 | H26 | 118.2° | 119.9° |
| C07 | C23 | N06 | H31 | 31.7° | 0.0° |
| C02 | C01 | O03 | C07 | 95.9° | 180.0° |
| C02 | C01 | O03 | H10 | 119.9° | 120.0° |
| C02 | C01 | O03 | H11 | 119.8° | 120.0° |
| C02 | C01 | H10 | H11 | 120.4° | 120.0° |
| C01 | C02 | H12 | H13 | 119.9° | 120.0° |
| C07 | O03 | C01 | H10 | 144.2° | 60.0° |
| C07 | O03 | C01 | H11 | 23.9° | 60.0° |
| O03 | C07 | H19 | H20 | 119.4° | 120.0° |
| O03 | C07 | C23 | H25 | 125.2° | 175.0° |
| O03 | C07 | C23 | H26 | 6.3° | 55.0° |
| O03 | C01 | H10 | H11 | 120.4° | 120.0° |
| O03 | C01 | C02 | H12 | 62.8° | 175.0° |
| O03 | C01 | C02 | H13 | 177.2° | 55.0° |
| C01 | O03 | C07 | H19 | 16.7° | 60.0° |
| C01 | O03 | C07 | H20 | 102.9° | 60.0° |
| H5 | C17 | C18 | H23 | 0.2° | 0.1° |
| H6 | C21 | C22 | H8 | 167.7° | 55.0° |
| H6 | C21 | C22 | H9 | 48.9° | 65.0° |
| H7 | C21 | C22 | H8 | 48.3° | 65.0° |
| H7 | C21 | C22 | H9 | 70.5° | 175.0° |
| H8 | C22 | N02 | H27 | 59.4° | 63.9° |
| H8 | C22 | N02 | H28 | 60.6° | 60.0° |
| H9 | C22 | N02 | H27 | 59.4° | 176.0° |
| H9 | C22 | N02 | H28 | 179.4° | 60.0° |
| H10 | C01 | C02 | H12 | 57.1° | 55.0° |
| H10 | C01 | C02 | H13 | 62.9° | 65.0° |
| H11 | C01 | C02 | H12 | 177.3° | 65.0° |
| H11 | C01 | C02 | H13 | 57.4° | 175.0° |
| H14 | C03 | H15 | C04 | 171.0° | 120.0° |
| H14 | C03 | C04 | N01 | 90.0° | 54.9° |
| H14 | C03 | C04 | H29 | 90.0° | 65.1° |
| H14 | C03 | C04 | H32 | 90.0° | 175.0° |
| H15 | C03 | C04 | N01 | 90.0° | 175.0° |
| H15 | C03 | C04 | H29 | 90.0° | 55.0° |
| H15 | C03 | C04 | H32 | 90.0° | 64.9° |
| H17 | C06 | C08 | H21 | 52.1° | 55.0° |
| H17 | C06 | C08 | H22 | 67.4° | 65.0° |
| H18 | C06 | C08 | H21 | 66.4° | 65.0° |
| H18 | C06 | C08 | H22 | 174.0° | 175.0° |
| H19 | C07 | C23 | H25 | 114.6° | 55.0° |
| H19 | C07 | C23 | H26 | 126.6° | 64.9° |
| H20 | C07 | C23 | H25 | 4.9° | 65.0° |
| H20 | C07 | C23 | H26 | 113.9° | 175.0° |
| H23 | C18 | C19 | H24 | 0.2° | 0.2° |
| H25 | C23 | N06 | H31 | 88.9° | 120.0° |
| H26 | C23 | N06 | H31 | 152.3° | 120.0° |
| C03 | C04 | N01 | H29 | 90.0° | 119.9° |
| C03 | C04 | N01 | H32 | 90.0° | 120.0° |
| C03 | C04 | H29 | H32 | 90.0° | 119.9° |
| C03 | C04 | N01 | H33 | 90.0° | 56.0° |
| C03 | C04 | N01 | H34 | 90.0° | 180.0° |
| N01 | C04 | H29 | H32 | 90.0° | 120.1° |
| C04 | N01 | H33 | H34 | 90.0° | 123.9° |
| H29 | C04 | N01 | H33 | 90.0° | 63.9° |
| H29 | C04 | N01 | H34 | 90.0° | 60.1° |
| H32 | C04 | N01 | H33 | 90.0° | 176.0° |
| H32 | C04 | N01 | H34 | 90.0° | 60.0° |
