A1IY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N07 | C20 | sing | 1.38Å | 1.47Å | |
| N06 | C20 | doub | 1.33Å | 1.32Å | Aromatic |
| N06 | C19 | sing | 1.32Å | 1.37Å | Aromatic |
| C20 | C17 | sing | 1.41Å | 1.33Å | Aromatic |
| C19 | N05 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | N04 | sing | 1.35Å | 1.48Å | Aromatic |
| N05 | C18 | sing | 1.33Å | 1.31Å | Aromatic |
| C18 | N03 | sing | 1.37Å | 1.32Å | Aromatic |
| N04 | C16 | doub | 1.30Å | 1.35Å | Aromatic |
| N03 | C16 | sing | 1.36Å | 1.30Å | Aromatic |
| N03 | C15 | sing | 1.47Å | 1.42Å | |
| C15 | O09 | sing | 1.45Å | 1.48Å | |
| C15 | C14 | sing | 1.55Å | 1.49Å | |
| O09 | C12 | sing | 1.44Å | 1.48Å | |
| C14 | O08 | sing | 1.43Å | 1.45Å | |
| C14 | C13 | sing | 1.55Å | 1.46Å | |
| O13 | P01 | doub | 1.48Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.54Å | 1.49Å | |
| C11 | O06 | sing | 1.43Å | 1.40Å | |
| C13 | O07 | sing | 1.43Å | 1.44Å | |
| O12 | P01 | sing | 1.61Å | 1.45Å | |
| O06 | P02 | sing | 1.61Å | 1.64Å | |
| P01 | O05 | sing | 1.61Å | 1.67Å | |
| P01 | O04 | sing | 1.61Å | 1.64Å | |
| O05 | P02 | sing | 1.61Å | 1.68Å | |
| P02 | O11 | doub | 1.48Å | 1.45Å | |
| P02 | O10 | sing | 1.61Å | 1.47Å | |
| C10 | O04 | sing | 1.43Å | 1.41Å | |
| C10 | C09 | sing | 1.53Å | 1.47Å | |
| C02 | C01 | sing | 1.55Å | 1.39Å | |
| C02 | C08 | sing | 1.57Å | 1.50Å | |
| C02 | O02 | sing | 1.43Å | 1.63Å | |
| C01 | C09 | sing | 1.54Å | 1.53Å | |
| C01 | O01 | sing | 1.43Å | 1.47Å | |
| C09 | O03 | sing | 1.43Å | 1.47Å | |
| C08 | O03 | sing | 1.43Å | 1.54Å | |
| C08 | S01 | sing | 1.83Å | 1.64Å | |
| O02 | C03 | sing | 1.44Å | 1.55Å | |
| N02 | C03 | sing | 1.47Å | 1.45Å | |
| N02 | C07 | sing | 1.47Å | 1.47Å | |
| C03 | S01 | sing | 1.83Å | 1.64Å | |
| C03 | N01 | sing | 1.47Å | 1.49Å | |
| C04 | N01 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| N01 | H25 | sing | 1.01Å | 1.00Å | |
| N02 | H27 | sing | 1.01Å | 1.00Å | |
| N07 | H29 | sing | 0.97Å | 1.00Å | |
| N07 | H30 | sing | 0.97Å | 1.00Å | |
| O01 | H31 | sing | 0.97Å | 0.95Å | |
| O07 | H32 | sing | 0.97Å | 0.95Å | |
| O08 | H33 | sing | 0.97Å | 0.95Å | |
| O10 | H34 | sing | 0.97Å | 0.95Å | |
| O12 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C20 | N06 | 120.3° | 120.8° |
| N07 | C20 | C17 | 120.8° | 120.8° |
| C20 | N07 | H29 | 109.5° | 120.0° |
| C20 | N07 | H30 | 109.5° | 120.0° |
| C20 | N06 | C19 | 120.6° | 121.2° |
| N06 | C20 | C17 | 118.9° | 118.5° |
| N06 | C19 | N05 | 120.8° | 122.4° |
| N06 | C19 | H24 | 119.6° | 118.8° |
| C20 | C17 | C18 | 120.8° | 118.2° |
| C20 | C17 | N04 | 132.8° | 134.7° |
| C19 | N05 | C18 | 117.6° | 120.7° |
| N05 | C19 | H24 | 119.6° | 118.8° |
| C18 | C17 | N04 | 106.4° | 107.1° |
| C17 | C18 | N05 | 121.3° | 119.0° |
| C17 | C18 | N03 | 106.1° | 106.0° |
| C17 | N04 | C16 | 104.5° | 109.4° |
| N05 | C18 | N03 | 132.7° | 134.9° |
| C18 | N03 | C16 | 114.0° | 107.4° |
| C18 | N03 | C15 | 122.9° | 126.3° |
| N04 | C16 | N03 | 109.1° | 110.0° |
| N04 | C16 | H23 | 125.4° | 125.0° |
| C16 | N03 | C15 | 123.1° | 126.3° |
| N03 | C16 | H23 | 125.4° | 125.0° |
| N03 | C15 | O09 | 110.6° | 110.6° |
| N03 | C15 | C14 | 110.0° | 110.8° |
| N03 | C15 | H4 | 110.4° | 110.7° |
| O09 | C15 | C14 | 106.9° | 103.5° |
| C15 | O09 | C12 | 106.2° | 106.9° |
| O09 | C15 | H4 | 109.5° | 110.6° |
| C15 | C14 | O08 | 109.9° | 110.9° |
| C15 | C14 | C13 | 107.1° | 102.1° |
| C14 | C15 | H4 | 109.4° | 110.6° |
| C15 | C14 | H22 | 109.8° | 110.9° |
| O09 | C12 | C11 | 110.8° | 109.8° |
| O09 | C12 | C13 | 108.0° | 107.3° |
| O09 | C12 | H21 | 109.3° | 110.0° |
| O08 | C14 | C13 | 109.5° | 111.0° |
| O08 | C14 | H22 | 110.3° | 110.8° |
| C14 | O08 | H33 | 109.5° | 114.0° |
| C14 | C13 | C12 | 107.4° | 104.3° |
| C14 | C13 | O07 | 109.3° | 110.5° |
| C14 | C13 | H3 | 110.2° | 110.5° |
| C13 | C14 | H22 | 110.2° | 110.9° |
| O13 | P01 | O12 | 100.5° | 109.5° |
| O13 | P01 | O05 | 110.9° | 109.4° |
| O13 | P01 | O04 | 111.9° | 109.4° |
| C11 | C12 | C13 | 110.1° | 109.9° |
| C12 | C11 | O06 | 109.9° | 109.4° |
| C12 | C11 | H19 | 109.4° | 109.4° |
| C12 | C11 | H20 | 109.3° | 109.5° |
| C11 | C12 | H21 | 109.3° | 109.8° |
| C12 | C13 | O07 | 109.6° | 110.5° |
| C12 | C13 | H3 | 109.8° | 110.5° |
| C13 | C12 | H21 | 109.2° | 109.9° |
| C11 | O06 | P02 | 119.8° | 123.0° |
| O06 | C11 | H19 | 109.4° | 109.5° |
| O06 | C11 | H20 | 109.4° | 109.5° |
| O07 | C13 | H3 | 110.4° | 110.5° |
| C13 | O07 | H32 | 109.5° | 114.0° |
| O12 | P01 | O05 | 111.1° | 109.5° |
| O12 | P01 | O04 | 111.3° | 109.5° |
| P01 | O12 | H35 | 109.5° | 114.0° |
| O06 | P02 | O05 | 111.2° | 109.5° |
| O06 | P02 | O11 | 111.7° | 109.5° |
| O06 | P02 | O10 | 111.0° | 109.4° |
| O05 | P01 | O04 | 110.7° | 109.4° |
| P01 | O05 | P02 | 123.4° | 134.0° |
| P01 | O04 | C10 | 118.6° | 123.0° |
| O05 | P02 | O11 | 111.0° | 109.5° |
| O05 | P02 | O10 | 111.1° | 109.5° |
| O11 | P02 | O10 | 100.5° | 109.5° |
| P02 | O10 | H34 | 109.5° | 114.0° |
| O04 | C10 | C09 | 110.5° | 109.5° |
| O04 | C10 | H1 | 109.2° | 109.5° |
| O04 | C10 | H2 | 109.2° | 109.5° |
| C10 | C09 | C01 | 109.7° | 109.8° |
| C10 | C09 | O03 | 110.3° | 109.9° |
| C09 | C10 | H1 | 109.2° | 109.5° |
| C09 | C10 | H2 | 109.2° | 109.5° |
| C10 | C09 | H18 | 110.0° | 109.8° |
| C01 | C02 | C08 | 107.9° | 100.4° |
| C01 | C02 | O02 | 109.9° | 108.0° |
| C02 | C01 | C09 | 108.3° | 102.5° |
| C02 | C01 | O01 | 109.2° | 110.8° |
| C02 | C01 | H5 | 111.2° | 110.9° |
| C01 | C02 | H6 | 111.3° | 113.0° |
| C08 | C02 | O02 | 110.1° | 108.1° |
| C02 | C08 | O03 | 108.5° | 105.1° |
| C02 | C08 | S01 | 108.8° | 100.9° |
| C08 | C02 | H6 | 109.6° | 113.0° |
| C02 | C08 | H17 | 110.5° | 113.3° |
| C02 | O02 | C03 | 105.5° | 113.6° |
| O02 | C02 | H6 | 108.0° | 113.3° |
| C09 | C01 | O01 | 108.9° | 110.8° |
| C01 | C09 | O03 | 107.8° | 107.6° |
| C09 | C01 | H5 | 109.2° | 110.8° |
| C01 | C09 | H18 | 109.2° | 109.8° |
| O01 | C01 | H5 | 109.9° | 110.7° |
| C01 | O01 | H31 | 109.5° | 114.1° |
| C09 | O03 | C08 | 103.7° | 110.2° |
| O03 | C09 | H18 | 109.9° | 109.9° |
| O03 | C08 | S01 | 110.4° | 109.6° |
| O03 | C08 | H17 | 110.0° | 113.1° |
| C08 | S01 | C03 | 103.1° | 96.0° |
| S01 | C08 | H17 | 108.7° | 113.8° |
| O02 | C03 | N02 | 109.2° | 110.5° |
| O02 | C03 | S01 | 108.8° | 104.5° |
| O02 | C03 | N01 | 109.5° | 110.5° |
| C03 | N02 | C07 | 109.9° | 110.9° |
| N02 | C03 | S01 | 110.2° | 110.4° |
| N02 | C03 | N01 | 109.0° | 110.4° |
| C03 | N02 | H27 | 109.4° | 111.0° |
| N02 | C07 | H14 | 109.5° | 109.5° |
| N02 | C07 | H15 | 109.5° | 109.5° |
| N02 | C07 | H16 | 109.5° | 109.4° |
| C07 | N02 | H27 | 109.4° | 111.0° |
| S01 | C03 | N01 | 110.0° | 110.4° |
| C03 | N01 | C04 | 109.6° | 111.0° |
| C03 | N01 | H25 | 109.4° | 111.0° |
| N01 | C04 | C05 | 109.4° | 109.5° |
| N01 | C04 | H7 | 109.5° | 109.5° |
| N01 | C04 | H8 | 109.5° | 109.5° |
| C04 | N01 | H25 | 109.4° | 111.0° |
| C04 | C05 | C06 | 109.6° | 109.5° |
| C05 | C04 | H7 | 109.5° | 109.5° |
| C05 | C04 | H8 | 109.5° | 109.5° |
| C04 | C05 | H9 | 109.4° | 109.4° |
| C04 | C05 | H10 | 109.4° | 109.4° |
| C06 | C05 | H9 | 109.4° | 109.5° |
| C06 | C05 | H10 | 109.5° | 109.5° |
| C05 | C06 | H11 | 109.5° | 109.5° |
| C05 | C06 | H12 | 109.5° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.4° | 109.5° |
| H11 | C06 | H13 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.4° | 109.5° |
| H14 | C07 | H16 | 109.4° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H29 | N07 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C20 | N06 | C17 | 180.0° | 179.9° |
| N07 | C20 | N06 | C19 | 180.0° | 179.6° |
| N07 | C20 | C17 | C18 | 180.0° | 180.0° |
| N07 | C20 | C17 | N04 | 0.0° | 0.3° |
| C20 | N07 | H29 | H30 | 120.0° | 180.0° |
| C20 | N06 | C19 | N05 | 0.0° | 0.7° |
| N06 | C20 | C17 | C18 | 0.1° | 0.0° |
| N06 | C20 | C17 | N04 | 180.0° | 179.6° |
| C20 | N06 | C19 | H24 | 180.0° | 179.7° |
| N06 | C20 | N07 | H29 | 0.0° | 180.0° |
| N06 | C20 | N07 | H30 | 120.0° | 0.0° |
| C19 | N06 | C20 | C17 | 0.1° | 0.5° |
| N06 | C19 | N05 | H24 | 180.0° | 179.6° |
| N06 | C19 | N05 | C18 | 0.0° | 0.5° |
| C20 | C17 | C18 | N04 | 180.0° | 179.8° |
| C20 | C17 | C18 | N05 | 0.0° | 0.2° |
| C20 | C17 | C18 | N03 | 180.0° | 179.7° |
| C20 | C17 | N04 | C16 | 180.0° | 179.7° |
| C17 | C20 | N07 | H29 | 180.0° | 0.0° |
| C17 | C20 | N07 | H30 | 60.0° | 180.0° |
| C19 | N05 | C18 | C17 | 0.0° | 0.0° |
| C19 | N05 | C18 | N03 | 180.0° | 179.9° |
| C17 | C18 | N05 | N03 | 180.0° | 179.9° |
| C18 | C17 | N04 | C16 | 0.0° | 0.0° |
| C17 | C18 | N03 | C16 | 0.1° | 0.0° |
| C17 | C18 | N03 | C15 | 180.0° | 179.9° |
| N04 | C17 | C18 | N05 | 180.0° | 180.0° |
| N04 | C17 | C18 | N03 | 0.0° | 0.0° |
| C17 | N04 | C16 | N03 | 0.1° | 0.1° |
| C17 | N04 | C16 | H23 | 179.9° | 179.9° |
| N05 | C18 | N03 | C16 | 180.0° | 180.0° |
| N05 | C18 | N03 | C15 | 0.1° | 0.1° |
| C18 | N05 | C19 | H24 | 180.0° | 179.9° |
| C18 | N03 | C16 | N04 | 0.1° | 0.1° |
| C18 | N03 | C16 | C15 | 179.9° | 179.9° |
| C18 | N03 | C15 | O09 | 66.3° | 156.5° |
| C18 | N03 | C15 | C14 | 175.9° | 89.4° |
| C18 | N03 | C15 | H4 | 55.0° | 33.6° |
| C18 | N03 | C16 | H23 | 179.9° | 179.9° |
| N04 | C16 | N03 | H23 | 180.0° | 179.9° |
| N04 | C16 | N03 | C15 | 180.0° | 180.0° |
| C16 | N03 | C15 | O09 | 113.8° | 23.7° |
| C16 | N03 | C15 | C14 | 4.0° | 90.5° |
| C16 | N03 | C15 | H4 | 124.9° | 146.6° |
| N03 | C15 | O09 | C14 | 119.7° | 118.7° |
| N03 | C15 | O09 | H4 | 121.8° | 122.9° |
| N03 | C15 | C14 | H4 | 121.4° | 123.0° |
| N03 | C15 | O09 | C12 | 138.3° | 158.6° |
| N03 | C15 | C14 | O08 | 99.2° | 86.2° |
| N03 | C15 | C14 | C13 | 141.9° | 155.5° |
| N03 | C15 | C14 | H22 | 22.3° | 37.4° |
| C15 | N03 | C16 | H23 | 0.0° | 0.2° |
| O09 | C15 | C14 | H4 | 118.5° | 118.4° |
| O09 | C15 | C14 | O08 | 140.8° | 155.2° |
| O09 | C15 | C14 | C13 | 21.9° | 36.9° |
| C15 | O09 | C12 | C11 | 129.3° | 145.8° |
| C15 | O09 | C12 | C13 | 8.6° | 26.4° |
| C15 | O09 | C12 | H21 | 110.2° | 93.2° |
| O09 | C15 | C14 | H22 | 97.8° | 81.2° |
| C14 | C15 | O09 | C12 | 18.6° | 40.0° |
| C15 | C14 | O08 | C13 | 117.4° | 112.7° |
| C15 | C14 | O08 | H22 | 121.1° | 123.6° |
| C15 | C14 | C13 | H22 | 119.3° | 118.2° |
| C15 | C14 | C13 | C12 | 16.4° | 20.9° |
| C15 | C14 | C13 | O07 | 102.5° | 97.8° |
| C15 | C14 | C13 | H3 | 135.9° | 139.7° |
| C15 | C14 | O08 | H33 | 180.0° | 180.0° |
| O09 | C12 | C13 | C14 | 4.8° | 2.0° |
| O09 | C12 | C11 | C13 | 119.5° | 117.8° |
| O09 | C12 | C11 | H21 | 120.6° | 121.1° |
| O09 | C12 | C13 | H21 | 118.8° | 119.6° |
| O09 | C12 | C11 | O06 | 130.7° | 67.2° |
| O09 | C12 | C13 | O07 | 113.9° | 120.7° |
| O09 | C12 | C13 | H3 | 124.7° | 116.7° |
| C12 | O09 | C15 | H4 | 99.9° | 78.4° |
| O09 | C12 | C11 | H19 | 10.6° | 172.8° |
| O09 | C12 | C11 | H20 | 109.3° | 52.8° |
| O08 | C14 | C13 | H22 | 121.5° | 123.6° |
| O08 | C14 | C13 | C12 | 135.5° | 139.1° |
| O08 | C14 | C13 | O07 | 16.6° | 20.4° |
| O08 | C14 | C13 | H3 | 104.9° | 102.1° |
| O08 | C14 | C15 | H4 | 22.2° | 36.8° |
| C14 | C13 | C12 | C11 | 116.3° | 121.4° |
| C14 | C13 | C12 | O07 | 118.7° | 118.7° |
| C14 | C13 | C12 | H3 | 119.9° | 118.7° |
| C14 | C13 | O07 | H3 | 121.5° | 122.6° |
| C13 | C14 | C15 | H4 | 96.7° | 81.5° |
| C14 | C13 | C12 | H21 | 123.7° | 117.6° |
| C14 | C13 | O07 | H32 | 180.0° | 63.3° |
| C13 | C14 | O08 | H33 | 62.7° | 67.3° |
| O13 | P01 | O12 | O05 | 117.4° | 120.0° |
| O13 | P01 | O12 | O04 | 118.6° | 120.0° |
| O13 | P01 | O05 | O04 | 124.9° | 119.9° |
| O13 | P01 | O05 | P02 | 150.4° | 40.0° |
| O13 | P01 | O04 | C10 | 44.2° | 55.1° |
| O13 | P01 | O12 | H35 | 0.0° | 180.0° |
| C11 | C12 | C13 | H21 | 120.0° | 121.0° |
| C12 | C11 | O06 | H19 | 120.1° | 119.9° |
| C12 | C11 | O06 | H20 | 120.1° | 120.0° |
| C11 | C12 | C13 | O07 | 125.0° | 119.9° |
| C12 | C11 | O06 | P02 | 142.9° | 180.0° |
| C11 | C12 | C13 | H3 | 3.5° | 2.6° |
| C12 | C11 | H19 | H20 | 119.8° | 120.0° |
| C13 | C12 | C11 | O06 | 11.2° | 175.0° |
| C12 | C13 | O07 | H3 | 121.1° | 122.6° |
| C13 | C12 | C11 | H19 | 108.9° | 55.0° |
| C13 | C12 | C11 | H20 | 131.3° | 65.0° |
| C12 | C13 | C14 | H22 | 103.0° | 97.2° |
| C12 | C13 | O07 | H32 | 62.5° | 178.2° |
| C11 | O06 | P02 | O05 | 63.7° | 175.0° |
| C11 | O06 | P02 | O11 | 60.9° | 55.0° |
| C11 | O06 | P02 | O10 | 172.1° | 65.0° |
| O06 | C11 | H19 | H20 | 119.8° | 120.1° |
| O06 | C11 | C12 | H21 | 108.8° | 54.0° |
| O07 | C13 | C12 | H21 | 5.0° | 1.1° |
| O07 | C13 | C14 | H22 | 138.2° | 144.1° |
| O12 | P01 | O05 | O04 | 124.3° | 120.0° |
| O12 | P01 | O05 | P02 | 39.6° | 80.0° |
| O12 | P01 | O04 | C10 | 155.7° | 65.0° |
| O06 | P02 | O05 | P01 | 118.5° | 165.0° |
| O06 | P02 | O05 | O11 | 125.0° | 120.0° |
| O06 | P02 | O05 | O10 | 124.1° | 120.0° |
| O06 | P02 | O11 | O10 | 117.7° | 120.0° |
| P02 | O06 | C11 | H19 | 97.0° | 60.0° |
| P02 | O06 | C11 | H20 | 22.8° | 60.1° |
| O06 | P02 | O10 | H34 | 118.3° | 60.0° |
| P01 | O05 | P02 | O11 | 6.5° | 45.0° |
| P01 | O05 | P02 | O10 | 117.4° | 75.0° |
| O05 | P01 | O04 | C10 | 80.1° | 175.0° |
| O05 | P01 | O12 | H35 | 117.4° | 60.0° |
| O04 | P01 | O05 | P02 | 84.7° | 160.0° |
| P01 | O04 | C10 | C09 | 177.6° | 180.0° |
| P01 | O04 | C10 | H1 | 57.4° | 60.0° |
| P01 | O04 | C10 | H2 | 62.3° | 60.0° |
| O04 | P01 | O12 | H35 | 118.6° | 60.0° |
| O05 | P02 | O11 | O10 | 117.5° | 120.0° |
| O05 | P02 | O10 | H34 | 117.5° | 60.0° |
| O11 | P02 | O10 | H34 | 0.0° | 180.0° |
| O04 | C10 | C09 | H1 | 120.2° | 120.0° |
| O04 | C10 | C09 | H2 | 120.2° | 120.0° |
| O04 | C10 | C09 | C01 | 104.5° | 175.0° |
| O04 | C10 | C09 | O03 | 136.9° | 66.8° |
| O04 | C10 | H1 | H2 | 119.5° | 120.0° |
| O04 | C10 | C09 | H18 | 15.5° | 54.2° |
| C10 | C09 | C01 | C02 | 99.3° | 141.3° |
| C10 | C09 | C01 | O03 | 120.1° | 119.5° |
| C10 | C09 | C01 | H18 | 120.6° | 120.9° |
| C10 | C09 | C01 | O01 | 142.0° | 100.4° |
| C10 | C09 | O03 | H18 | 121.4° | 121.0° |
| C10 | C09 | O03 | C08 | 104.8° | 118.0° |
| C09 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | C09 | C01 | H5 | 22.0° | 22.8° |
| C01 | C02 | C08 | O02 | 120.0° | 113.1° |
| C01 | C02 | C08 | H6 | 121.3° | 120.7° |
| C01 | C02 | O02 | H6 | 121.5° | 126.1° |
| C02 | C01 | C09 | O01 | 118.7° | 118.3° |
| C02 | C01 | C09 | H5 | 121.3° | 118.4° |
| C02 | C01 | O01 | H5 | 122.3° | 123.5° |
| C02 | C01 | C09 | O03 | 20.8° | 21.7° |
| C01 | C02 | C08 | O03 | 7.7° | 36.3° |
| C01 | C02 | C08 | S01 | 112.4° | 150.2° |
| C01 | C02 | O02 | C03 | 123.6° | 153.7° |
| C01 | C02 | C08 | H17 | 128.3° | 87.8° |
| C02 | C01 | C09 | H18 | 140.1° | 97.9° |
| C02 | C01 | O01 | H31 | 180.0° | 174.6° |
| C08 | C02 | O02 | H6 | 119.7° | 126.1° |
| C08 | C02 | C01 | C09 | 17.0° | 34.1° |
| C08 | C02 | C01 | O01 | 101.4° | 152.4° |
| C02 | C08 | O03 | C09 | 5.1° | 24.2° |
| C02 | C08 | O03 | S01 | 119.1° | 107.7° |
| C02 | C08 | O03 | H17 | 121.0° | 124.2° |
| C02 | C08 | S01 | H17 | 120.4° | 121.7° |
| C08 | C02 | O02 | C03 | 4.8° | 45.8° |
| C02 | C08 | S01 | C03 | 16.2° | 18.2° |
| C08 | C02 | C01 | H5 | 137.1° | 84.3° |
| O02 | C02 | C01 | C09 | 137.2° | 79.0° |
| O02 | C02 | C01 | O01 | 18.7° | 39.2° |
| O02 | C02 | C08 | O03 | 127.7° | 76.8° |
| O02 | C02 | C08 | S01 | 7.6° | 37.1° |
| C02 | O02 | C03 | N02 | 105.1° | 89.6° |
| C02 | O02 | C03 | S01 | 15.3° | 29.2° |
| C02 | O02 | C03 | N01 | 135.6° | 147.9° |
| O02 | C02 | C01 | H5 | 102.8° | 162.6° |
| O02 | C02 | C08 | H17 | 111.7° | 159.2° |
| C09 | C01 | O01 | H5 | 119.6° | 123.4° |
| C01 | C09 | O03 | H18 | 118.9° | 119.5° |
| C01 | C09 | O03 | C08 | 14.9° | 1.5° |
| C01 | C09 | C10 | H1 | 135.3° | 55.0° |
| C01 | C09 | C10 | H2 | 15.6° | 65.0° |
| C09 | C01 | C02 | H6 | 103.3° | 154.8° |
| C09 | C01 | O01 | H31 | 61.9° | 61.5° |
| O01 | C01 | C09 | O03 | 97.9° | 140.0° |
| O01 | C01 | C02 | H6 | 138.3° | 87.0° |
| O01 | C01 | C09 | H18 | 21.5° | 20.4° |
| C09 | O03 | C08 | S01 | 124.2° | 131.9° |
| O03 | C09 | C10 | H1 | 16.7° | 173.1° |
| O03 | C09 | C10 | H2 | 102.9° | 53.2° |
| O03 | C09 | C01 | H5 | 142.1° | 96.7° |
| C09 | O03 | C08 | H17 | 115.9° | 100.0° |
| O03 | C08 | S01 | H17 | 120.7° | 127.7° |
| O03 | C08 | S01 | C03 | 135.1° | 92.3° |
| O03 | C08 | C02 | H6 | 113.7° | 157.0° |
| C08 | O03 | C09 | H18 | 133.8° | 121.1° |
| C08 | S01 | C03 | O02 | 19.4° | 4.0° |
| C08 | S01 | C03 | N02 | 100.4° | 114.8° |
| C08 | S01 | C03 | N01 | 139.4° | 122.8° |
| S01 | C08 | C02 | H6 | 126.2° | 89.1° |
| O02 | C03 | N02 | S01 | 119.5° | 115.1° |
| O02 | C03 | N02 | N01 | 119.7° | 122.5° |
| O02 | C03 | N02 | C07 | 175.8° | 60.4° |
| O02 | C03 | S01 | N01 | 120.0° | 118.8° |
| O02 | C03 | N01 | C04 | 46.9° | 176.6° |
| C03 | O02 | C02 | H6 | 114.9° | 80.3° |
| O02 | C03 | N01 | H25 | 73.1° | 59.5° |
| O02 | C03 | N02 | H27 | 55.7° | 175.7° |
| C03 | N02 | C07 | H27 | 120.1° | 123.9° |
| N02 | C03 | S01 | N01 | 120.2° | 122.4° |
| N02 | C03 | N01 | C04 | 72.6° | 60.9° |
| C03 | N02 | C07 | H14 | 180.0° | 174.4° |
| C03 | N02 | C07 | H15 | 60.0° | 54.4° |
| C03 | N02 | C07 | H16 | 60.0° | 65.6° |
| N02 | C03 | N01 | H25 | 167.4° | 63.1° |
| C07 | N02 | C03 | S01 | 56.2° | 175.6° |
| C07 | N02 | C03 | N01 | 64.6° | 62.1° |
| N02 | C07 | H14 | H15 | 120.0° | 120.0° |
| N02 | C07 | H14 | H16 | 120.0° | 120.0° |
| N02 | C07 | H15 | H16 | 120.0° | 120.0° |
| S01 | C03 | N01 | C04 | 166.5° | 61.5° |
| C03 | S01 | C08 | H17 | 104.2° | 139.9° |
| S01 | C03 | N01 | H25 | 46.5° | 174.6° |
| S01 | C03 | N02 | H27 | 63.8° | 60.6° |
| C03 | N01 | C04 | H25 | 120.0° | 123.9° |
| C03 | N01 | C04 | C05 | 165.4° | 180.0° |
| C03 | N01 | C04 | H7 | 74.6° | 59.9° |
| C03 | N01 | C04 | H8 | 45.4° | 60.0° |
| N01 | C03 | N02 | H27 | 175.3° | 61.8° |
| N01 | C04 | C05 | H7 | 120.0° | 120.0° |
| N01 | C04 | C05 | H8 | 120.0° | 120.0° |
| N01 | C04 | C05 | C06 | 163.8° | 180.0° |
| N01 | C04 | H7 | H8 | 120.0° | 120.0° |
| N01 | C04 | C05 | H9 | 43.8° | 60.0° |
| N01 | C04 | C05 | H10 | 76.2° | 60.0° |
| C04 | C05 | C06 | H9 | 120.0° | 120.0° |
| C04 | C05 | C06 | H10 | 120.0° | 120.0° |
| C05 | C04 | H7 | H8 | 120.0° | 120.0° |
| C04 | C05 | H9 | H10 | 120.0° | 119.9° |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | H12 | 60.0° | 60.0° |
| C04 | C05 | C06 | H13 | 60.0° | 60.0° |
| C05 | C04 | N01 | H25 | 45.4° | 56.0° |
| C06 | C05 | C04 | H7 | 76.3° | 60.0° |
| C06 | C05 | C04 | H8 | 43.8° | 60.0° |
| C06 | C05 | H9 | H10 | 120.0° | 120.1° |
| C05 | C06 | H11 | H12 | 120.0° | 120.0° |
| C05 | C06 | H11 | H13 | 120.0° | 120.0° |
| C05 | C06 | H12 | H13 | 120.0° | 120.0° |
| H1 | C10 | C09 | H18 | 104.6° | 65.8° |
| H2 | C10 | C09 | H18 | 135.7° | 174.2° |
| H3 | C13 | C12 | H21 | 116.5° | 123.6° |
| H3 | C13 | C14 | H22 | 16.6° | 21.5° |
| H3 | C13 | O07 | H32 | 58.5° | 59.2° |
| H4 | C15 | C14 | H22 | 143.7° | 160.4° |
| H5 | C01 | C02 | H6 | 16.7° | 36.4° |
| H5 | C01 | C09 | H18 | 98.6° | 143.7° |
| H5 | C01 | O01 | H31 | 57.7° | 61.9° |
| H6 | C02 | C08 | H17 | 7.0° | 32.9° |
| H7 | C04 | C05 | H9 | 163.8° | 60.1° |
| H7 | C04 | C05 | H10 | 43.8° | 180.0° |
| H7 | C04 | N01 | H25 | 165.4° | 64.0° |
| H8 | C04 | C05 | H9 | 76.2° | 180.0° |
| H8 | C04 | C05 | H10 | 163.8° | 60.0° |
| H8 | C04 | N01 | H25 | 74.6° | 176.1° |
| H9 | C05 | C06 | H11 | 60.0° | 60.0° |
| H9 | C05 | C06 | H12 | 180.0° | 180.0° |
| H9 | C05 | C06 | H13 | 60.0° | 60.0° |
| H10 | C05 | C06 | H11 | 60.0° | 60.1° |
| H10 | C05 | C06 | H12 | 60.0° | 59.9° |
| H10 | C05 | C06 | H13 | 180.0° | 180.0° |
| H11 | C06 | H12 | H13 | 120.0° | 120.0° |
| H14 | C07 | H15 | H16 | 119.9° | 120.0° |
| H14 | C07 | N02 | H27 | 59.9° | 61.7° |
| H15 | C07 | N02 | H27 | 179.9° | 178.3° |
| H16 | C07 | N02 | H27 | 60.1° | 58.3° |
| H19 | C11 | C12 | H21 | 131.2° | 66.0° |
| H20 | C11 | C12 | H21 | 11.3° | 174.0° |
| H22 | C14 | O08 | H33 | 58.8° | 56.4° |
