PRD_002573
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| O5 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | O6 | doub | 1.21Å | 1.24Å | |
| C9 | O7 | sing | 1.34Å | 1.25Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O9 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O8 | sing | 1.43Å | 1.43Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | sing | 1.47Å | 1.45Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O9 | sing | 1.43Å | 1.44Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O10 | sing | 1.43Å | 1.43Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | O11 | sing | 1.43Å | 1.43Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | O12 | sing | 1.43Å | 1.42Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | N2 | sing | 1.35Å | 1.34Å | |
| C18 | O13 | doub | 1.21Å | 1.23Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| O7 | H27 | sing | 0.97Å | 0.95Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| O10 | H29 | sing | 0.97Å | 0.95Å | |
| O11 | H30 | sing | 0.97Å | 0.95Å | |
| O12 | H31 | sing | 0.97Å | 0.95Å | |
| N3 | C20 | sing | 1.47Å | 1.49Å | |
| N3 | H32 | sing | 1.01Å | 1.00Å | |
| N3 | H33 | sing | 1.01Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | O14 | doub | 1.21Å | 1.25Å | |
| C21 | O16 | sing | 1.34Å | 1.25Å | |
| C22 | O15 | sing | 1.43Å | 1.43Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| O16 | H37 | sing | 0.97Å | 0.95Å | |
| O4 | C10 | sing | 1.43Å | 1.40Å | |
| C1 | O15 | sing | 1.43Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O1 | C1 | 112.7° | 114.1° |
| O1 | C5 | C4 | 109.9° | 109.4° |
| O1 | C5 | C6 | 106.8° | 109.5° |
| O1 | C5 | H8 | 109.5° | 109.5° |
| O1 | C1 | C2 | 111.1° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | O15 | 109.5° | 109.5° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.2° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C1 | C2 | N1 | 109.7° | 109.5° |
| C2 | C1 | O15 | 108.9° | 109.5° |
| H1 | C1 | O15 | 109.8° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C3 | C2 | N1 | 110.6° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.0° |
| C2 | C3 | O2 | 109.0° | 109.6° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| H2 | C2 | N1 | 109.3° | 109.6° |
| C2 | N1 | H3 | 118.4° | 120.0° |
| C2 | N1 | C7 | 123.2° | 120.0° |
| H3 | N1 | C7 | 118.4° | 120.0° |
| C4 | C3 | O2 | 109.4° | 109.6° |
| C4 | C3 | H4 | 109.0° | 109.5° |
| C3 | C4 | O3 | 110.2° | 109.5° |
| C3 | C4 | H6 | 108.7° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.2° |
| O2 | C3 | H4 | 110.4° | 109.7° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| O3 | C4 | H6 | 110.0° | 109.5° |
| C4 | O3 | H7 | 109.5° | 114.0° |
| O3 | C4 | C5 | 109.6° | 109.5° |
| H6 | C4 | C5 | 108.6° | 109.6° |
| C4 | C5 | C6 | 113.7° | 109.5° |
| C4 | C5 | H8 | 108.3° | 109.5° |
| C6 | C5 | H8 | 108.5° | 109.5° |
| C5 | C6 | O4 | 106.8° | 109.5° |
| C5 | C6 | H9 | 110.1° | 109.5° |
| C5 | C6 | H13 | 110.1° | 109.4° |
| O4 | C6 | H9 | 110.2° | 109.5° |
| O4 | C6 | H13 | 110.1° | 109.5° |
| C6 | O4 | C10 | 115.9° | 114.0° |
| H9 | C6 | H13 | 109.5° | 109.5° |
| N1 | C7 | O5 | 122.0° | 120.0° |
| N1 | C7 | C8 | 115.9° | 120.0° |
| O5 | C7 | C8 | 122.0° | 120.0° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.4° | 109.4° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C10 | C9 | O6 | 117.3° | 120.0° |
| C10 | C9 | O7 | 115.7° | 120.0° |
| C9 | C10 | C11 | 113.3° | 109.5° |
| C9 | C10 | O9 | 109.6° | 109.5° |
| C9 | C10 | O4 | 107.5° | 109.5° |
| O6 | C9 | O7 | 127.0° | 120.0° |
| C9 | O7 | H27 | 109.5° | 117.0° |
| C11 | C10 | O9 | 111.7° | 109.4° |
| C10 | C11 | C12 | 111.0° | 109.2° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 109.1° | 109.5° |
| C11 | C10 | O4 | 104.0° | 109.5° |
| C10 | O9 | C14 | 117.0° | 114.1° |
| O9 | C10 | O4 | 110.5° | 109.5° |
| C12 | C11 | H14 | 109.1° | 109.5° |
| C12 | C11 | H15 | 109.1° | 109.5° |
| C11 | C12 | C13 | 108.9° | 109.0° |
| C11 | C12 | O8 | 110.6° | 109.6° |
| C11 | C12 | H16 | 108.5° | 109.6° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| C13 | C12 | O8 | 110.4° | 109.5° |
| C13 | C12 | H16 | 108.5° | 109.5° |
| C12 | C13 | C14 | 108.8° | 109.2° |
| C12 | C13 | N2 | 110.5° | 109.5° |
| C12 | C13 | H17 | 108.3° | 109.5° |
| O8 | C12 | H16 | 109.9° | 109.6° |
| C12 | O8 | H28 | 109.5° | 114.0° |
| C14 | C13 | N2 | 111.8° | 109.5° |
| C14 | C13 | H17 | 108.2° | 109.5° |
| C13 | C14 | C15 | 114.6° | 109.5° |
| C13 | C14 | O9 | 109.7° | 109.5° |
| C13 | C14 | H18 | 108.0° | 109.5° |
| N2 | C13 | H17 | 109.2° | 109.6° |
| C13 | N2 | C18 | 123.2° | 120.0° |
| C13 | N2 | H26 | 118.4° | 120.0° |
| C15 | C14 | O9 | 107.4° | 109.5° |
| C15 | C14 | H18 | 107.9° | 109.5° |
| C14 | C15 | C16 | 114.5° | 109.5° |
| C14 | C15 | O10 | 109.4° | 109.5° |
| C14 | C15 | H19 | 107.6° | 109.5° |
| O9 | C14 | H18 | 109.1° | 109.5° |
| C16 | C15 | O10 | 108.8° | 109.5° |
| C16 | C15 | H19 | 107.5° | 109.4° |
| C15 | C16 | C17 | 111.4° | 109.5° |
| C15 | C16 | O11 | 110.4° | 109.5° |
| C15 | C16 | H20 | 108.2° | 109.4° |
| O10 | C15 | H19 | 108.9° | 109.5° |
| C15 | O10 | H29 | 109.5° | 114.0° |
| C17 | C16 | O11 | 109.1° | 109.5° |
| C17 | C16 | H20 | 108.3° | 109.5° |
| C16 | C17 | O12 | 111.9° | 109.5° |
| C16 | C17 | H21 | 108.9° | 109.5° |
| C16 | C17 | H22 | 108.8° | 109.5° |
| O11 | C16 | H20 | 109.5° | 109.5° |
| C16 | O11 | H30 | 109.5° | 114.0° |
| O12 | C17 | H21 | 108.8° | 109.5° |
| O12 | C17 | H22 | 108.8° | 109.5° |
| C17 | O12 | H31 | 109.5° | 114.0° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| C19 | C18 | N2 | 116.0° | 120.0° |
| C19 | C18 | O13 | 121.9° | 120.0° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.4° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.4° |
| N2 | C18 | O13 | 122.1° | 120.0° |
| C18 | N2 | H26 | 118.4° | 120.0° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| C20 | N3 | H32 | 109.5° | 111.0° |
| C20 | N3 | H33 | 109.5° | 110.9° |
| N3 | C20 | C21 | 109.5° | 109.5° |
| N3 | C20 | C22 | 110.2° | 109.5° |
| N3 | C20 | H34 | 108.6° | 109.4° |
| H32 | N3 | H33 | 109.4° | 111.1° |
| C21 | C20 | C22 | 112.0° | 109.5° |
| C21 | C20 | H34 | 108.1° | 109.4° |
| C20 | C21 | O14 | 116.7° | 120.0° |
| C20 | C21 | O16 | 117.4° | 120.0° |
| C22 | C20 | H34 | 108.4° | 109.5° |
| C20 | C22 | O15 | 113.3° | 109.5° |
| C20 | C22 | H35 | 108.5° | 109.5° |
| C20 | C22 | H36 | 108.5° | 109.5° |
| O14 | C21 | O16 | 125.8° | 120.0° |
| C21 | O16 | H37 | 109.5° | 117.0° |
| O15 | C22 | H35 | 108.5° | 109.5° |
| O15 | C22 | H36 | 108.5° | 109.5° |
| C22 | O15 | C1 | 114.5° | 114.0° |
| H35 | C22 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O1 | C1 | C2 | 60.5° | 61.1° |
| C5 | O1 | C1 | H1 | 179.7° | 178.9° |
| O1 | C5 | C4 | C3 | 57.9° | 57.6° |
| O1 | C5 | C4 | O3 | 63.2° | 62.3° |
| O1 | C5 | C4 | H6 | 176.6° | 177.5° |
| O1 | C5 | C4 | C6 | 119.7° | 120.0° |
| O1 | C5 | C4 | H8 | 119.6° | 119.9° |
| O1 | C5 | C6 | H8 | 118.0° | 120.0° |
| O1 | C5 | C6 | O4 | 85.6° | 65.0° |
| O1 | C5 | C6 | H9 | 154.8° | 175.0° |
| O1 | C5 | C6 | H13 | 33.9° | 55.0° |
| C5 | O1 | C1 | O15 | 59.8° | 58.9° |
| O1 | C1 | C2 | H1 | 120.2° | 120.0° |
| O1 | C1 | C2 | O15 | 120.6° | 120.0° |
| O1 | C1 | H1 | O15 | 120.2° | 120.0° |
| O1 | C1 | C2 | C3 | 54.5° | 57.6° |
| O1 | C1 | C2 | H2 | 64.0° | 62.3° |
| O1 | C1 | C2 | N1 | 176.8° | 177.5° |
| C1 | O1 | C5 | C4 | 62.3° | 61.1° |
| C1 | O1 | C5 | C6 | 173.9° | 178.9° |
| C1 | O1 | C5 | H8 | 56.6° | 58.8° |
| O1 | C1 | O15 | C22 | 75.1° | 70.0° |
| C2 | C1 | H1 | O15 | 118.6° | 120.0° |
| C1 | C2 | C3 | H2 | 118.5° | 119.9° |
| C1 | C2 | C3 | N1 | 121.8° | 119.9° |
| C1 | C2 | H2 | N1 | 119.4° | 120.2° |
| C1 | C2 | N1 | H3 | 70.4° | 95.0° |
| C1 | C2 | C3 | C4 | 51.6° | 57.0° |
| C1 | C2 | C3 | O2 | 171.7° | 176.8° |
| C1 | C2 | C3 | H4 | 67.9° | 62.8° |
| C1 | C2 | N1 | C7 | 109.6° | 85.0° |
| C2 | C1 | O15 | C22 | 163.3° | 170.1° |
| H1 | C1 | C2 | C3 | 174.7° | 177.6° |
| H1 | C1 | C2 | H2 | 56.1° | 57.7° |
| H1 | C1 | C2 | N1 | 63.0° | 62.5° |
| H1 | C1 | O15 | C22 | 45.2° | 50.0° |
| C3 | C2 | H2 | N1 | 120.5° | 120.1° |
| C3 | C2 | N1 | H3 | 52.0° | 24.7° |
| C2 | C3 | C4 | O2 | 119.8° | 119.9° |
| C2 | C3 | C4 | H4 | 119.4° | 119.8° |
| C2 | C3 | O2 | H4 | 119.6° | 120.2° |
| C2 | C3 | O2 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | O3 | 67.3° | 63.0° |
| C2 | C3 | C4 | H6 | 172.1° | 177.0° |
| C2 | C3 | C4 | C5 | 53.5° | 57.0° |
| C3 | C2 | N1 | C7 | 128.0° | 155.3° |
| C3 | C2 | C1 | O15 | 66.1° | 62.4° |
| H2 | C2 | N1 | H3 | 171.1° | 144.8° |
| H2 | C2 | C3 | C4 | 66.9° | 63.0° |
| H2 | C2 | C3 | O2 | 53.1° | 56.9° |
| H2 | C2 | C3 | H4 | 173.6° | 177.3° |
| H2 | C2 | N1 | C7 | 9.0° | 35.2° |
| H2 | C2 | C1 | O15 | 175.4° | 177.7° |
| C2 | N1 | H3 | C7 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 173.4° | 176.9° |
| N1 | C2 | C3 | O2 | 66.5° | 63.3° |
| N1 | C2 | C3 | H4 | 53.9° | 57.1° |
| C2 | N1 | C7 | O5 | 1.5° | 0.0° |
| C2 | N1 | C7 | C8 | 179.3° | 180.0° |
| N1 | C2 | C1 | O15 | 56.2° | 57.5° |
| H3 | N1 | C7 | O5 | 178.6° | 180.0° |
| H3 | N1 | C7 | C8 | 0.7° | 0.1° |
| C4 | C3 | O2 | H4 | 120.0° | 120.2° |
| C4 | C3 | O2 | H5 | 59.5° | 60.4° |
| C3 | C4 | O3 | H6 | 119.8° | 120.1° |
| C3 | C4 | O3 | C5 | 120.9° | 119.7° |
| C3 | C4 | H6 | C5 | 119.4° | 119.7° |
| C3 | C4 | O3 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 177.6° | 177.6° |
| C3 | C4 | C5 | H8 | 61.6° | 62.3° |
| O2 | C3 | C4 | O3 | 52.5° | 56.9° |
| O2 | C3 | C4 | H6 | 68.1° | 63.2° |
| O2 | C3 | C4 | C5 | 173.2° | 176.8° |
| H4 | C3 | O2 | H5 | 60.4° | 59.8° |
| H4 | C3 | C4 | O3 | 173.3° | 177.3° |
| H4 | C3 | C4 | H6 | 52.7° | 57.2° |
| H4 | C3 | C4 | C5 | 65.9° | 62.8° |
| O3 | C4 | H6 | C5 | 119.9° | 120.2° |
| O3 | C4 | C5 | C6 | 56.5° | 57.7° |
| O3 | C4 | C5 | H8 | 177.2° | 177.7° |
| H6 | C4 | O3 | H7 | 60.2° | 59.9° |
| H6 | C4 | C5 | C6 | 63.7° | 62.5° |
| H6 | C4 | C5 | H8 | 57.1° | 57.6° |
| H7 | O3 | C4 | C5 | 59.1° | 60.3° |
| C4 | C5 | C6 | H8 | 120.6° | 120.0° |
| C4 | C5 | C6 | O4 | 153.0° | 175.1° |
| C4 | C5 | C6 | H9 | 33.4° | 55.1° |
| C4 | C5 | C6 | H13 | 87.5° | 65.0° |
| C5 | C6 | O4 | H9 | 119.6° | 120.0° |
| C5 | C6 | O4 | H13 | 119.6° | 119.9° |
| C5 | C6 | H9 | H13 | 121.3° | 120.0° |
| C5 | C6 | O4 | C10 | 164.5° | 174.6° |
| H8 | C5 | C6 | O4 | 32.4° | 55.0° |
| H8 | C5 | C6 | H9 | 87.2° | 65.0° |
| H8 | C5 | C6 | H13 | 151.9° | 175.0° |
| O4 | C6 | H9 | H13 | 121.2° | 120.0° |
| C6 | O4 | C10 | C9 | 68.3° | 177.1° |
| C6 | O4 | C10 | C11 | 171.3° | 62.8° |
| C6 | O4 | C10 | O9 | 51.3° | 57.1° |
| H9 | C6 | O4 | C10 | 75.9° | 54.6° |
| N1 | C7 | O5 | C8 | 179.2° | 180.0° |
| N1 | C7 | C8 | H10 | 179.3° | 0.0° |
| N1 | C7 | C8 | H11 | 59.3° | 120.0° |
| N1 | C7 | C8 | H12 | 60.7° | 120.0° |
| O5 | C7 | C8 | H10 | 0.0° | 179.9° |
| O5 | C7 | C8 | H11 | 120.0° | 60.0° |
| O5 | C7 | C8 | H12 | 120.0° | 60.0° |
| C7 | C8 | H10 | H11 | 120.0° | 119.9° |
| C7 | C8 | H10 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.1° |
| H13 | C6 | O4 | C10 | 44.9° | 65.4° |
| C10 | C9 | O6 | O7 | 178.6° | 180.0° |
| C9 | C10 | C11 | O9 | 124.3° | 120.0° |
| C9 | C10 | C11 | O4 | 116.4° | 120.0° |
| C9 | C10 | O9 | O4 | 118.3° | 120.0° |
| C9 | C10 | C11 | C12 | 73.5° | 62.4° |
| C9 | C10 | C11 | H14 | 166.3° | 177.7° |
| C9 | C10 | C11 | H15 | 46.8° | 57.5° |
| C9 | C10 | O9 | C14 | 73.8° | 58.9° |
| C10 | C9 | O7 | H27 | 178.6° | 180.0° |
| O6 | C9 | C10 | C11 | 34.0° | 123.8° |
| O6 | C9 | C10 | O9 | 159.5° | 116.2° |
| O6 | C9 | O7 | H27 | 0.0° | 0.0° |
| O6 | C9 | C10 | O4 | 80.4° | 3.8° |
| O7 | C9 | C10 | C11 | 147.3° | 56.2° |
| O7 | C9 | C10 | O9 | 21.8° | 63.8° |
| O7 | C9 | C10 | O4 | 98.4° | 176.2° |
| C11 | C10 | O9 | O4 | 115.3° | 120.0° |
| C10 | C11 | C12 | H14 | 120.2° | 119.9° |
| C10 | C11 | C12 | H15 | 120.3° | 119.9° |
| C10 | C11 | H14 | H15 | 119.3° | 120.1° |
| C10 | C11 | C12 | C13 | 55.5° | 57.0° |
| C10 | C11 | C12 | O8 | 176.9° | 176.9° |
| C10 | C11 | C12 | H16 | 62.5° | 62.9° |
| C11 | C10 | O9 | C14 | 52.5° | 61.1° |
| O9 | C10 | C11 | C12 | 50.8° | 57.6° |
| O9 | C10 | C11 | H14 | 69.4° | 62.3° |
| O9 | C10 | C11 | H15 | 171.1° | 177.5° |
| C10 | O9 | C14 | C13 | 56.4° | 61.1° |
| C10 | O9 | C14 | C15 | 178.5° | 178.9° |
| C10 | O9 | C14 | H18 | 61.7° | 58.9° |
| C12 | C11 | H14 | H15 | 119.3° | 120.2° |
| C11 | C12 | C13 | O8 | 121.6° | 119.9° |
| C11 | C12 | C13 | H16 | 118.0° | 119.9° |
| C11 | C12 | O8 | H16 | 119.8° | 120.2° |
| C11 | C12 | C13 | C14 | 59.0° | 56.9° |
| C11 | C12 | C13 | N2 | 177.9° | 176.9° |
| C11 | C12 | C13 | H17 | 58.4° | 62.9° |
| C11 | C12 | O8 | H28 | 180.0° | 60.0° |
| C12 | C11 | C10 | O4 | 170.1° | 177.6° |
| H14 | C11 | C12 | C13 | 64.8° | 62.9° |
| H14 | C11 | C12 | O8 | 56.7° | 56.9° |
| H14 | C11 | C12 | H16 | 177.3° | 177.2° |
| H14 | C11 | C10 | O4 | 49.9° | 57.7° |
| H15 | C11 | C12 | C13 | 175.7° | 176.9° |
| H15 | C11 | C12 | O8 | 62.8° | 63.2° |
| H15 | C11 | C12 | H16 | 57.8° | 57.0° |
| H15 | C11 | C10 | O4 | 69.6° | 62.5° |
| C13 | C12 | O8 | H16 | 119.6° | 120.2° |
| C12 | C13 | C14 | N2 | 122.3° | 119.9° |
| C12 | C13 | C14 | H17 | 117.4° | 119.8° |
| C12 | C13 | N2 | H17 | 119.0° | 120.1° |
| C12 | C13 | C14 | C15 | 178.8° | 177.6° |
| C12 | C13 | C14 | O9 | 57.9° | 57.6° |
| C12 | C13 | C14 | H18 | 60.9° | 62.4° |
| C12 | C13 | N2 | C18 | 140.9° | 85.0° |
| C12 | C13 | N2 | H26 | 39.1° | 95.0° |
| C13 | C12 | O8 | H28 | 59.4° | 179.6° |
| O8 | C12 | C13 | C14 | 179.4° | 176.8° |
| O8 | C12 | C13 | N2 | 56.3° | 63.2° |
| O8 | C12 | C13 | H17 | 63.2° | 57.0° |
| H16 | C12 | C13 | C14 | 58.9° | 62.9° |
| H16 | C12 | C13 | N2 | 64.1° | 57.0° |
| H16 | C12 | C13 | H17 | 176.3° | 177.2° |
| H16 | C12 | O8 | H28 | 60.2° | 60.2° |
| C14 | C13 | N2 | H17 | 119.7° | 120.1° |
| C13 | C14 | C15 | O9 | 122.1° | 120.0° |
| C13 | C14 | C15 | H18 | 120.3° | 120.0° |
| C13 | C14 | O9 | H18 | 118.1° | 120.0° |
| C13 | C14 | C15 | C16 | 173.2° | 175.0° |
| C13 | C14 | C15 | O10 | 50.8° | 55.0° |
| C13 | C14 | C15 | H19 | 67.4° | 65.0° |
| C14 | C13 | N2 | C18 | 97.8° | 155.3° |
| C14 | C13 | N2 | H26 | 82.2° | 24.7° |
| N2 | C13 | C14 | C15 | 58.9° | 62.5° |
| N2 | C13 | C14 | O9 | 179.8° | 177.5° |
| N2 | C13 | C14 | H18 | 61.4° | 57.5° |
| C13 | N2 | C18 | C19 | 178.5° | 180.0° |
| C13 | N2 | C18 | H26 | 180.0° | 180.0° |
| C13 | N2 | C18 | O13 | 3.5° | 0.0° |
| H17 | C13 | C14 | C15 | 61.4° | 57.7° |
| H17 | C13 | C14 | O9 | 59.5° | 62.3° |
| H17 | C13 | C14 | H18 | 178.3° | 177.7° |
| H17 | C13 | N2 | C18 | 21.9° | 35.2° |
| H17 | C13 | N2 | H26 | 158.1° | 144.8° |
| C15 | C14 | O9 | H18 | 116.8° | 120.0° |
| C14 | C15 | C16 | O10 | 122.7° | 120.0° |
| C14 | C15 | C16 | H19 | 119.4° | 120.0° |
| C14 | C15 | O10 | H19 | 117.3° | 120.0° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C16 | O11 | 59.4° | 60.0° |
| C14 | C15 | C16 | H20 | 60.5° | 60.0° |
| C14 | C15 | O10 | H29 | 73.9° | 60.0° |
| O9 | C14 | C15 | C16 | 51.1° | 55.0° |
| O9 | C14 | C15 | O10 | 71.3° | 65.0° |
| O9 | C14 | C15 | H19 | 170.5° | 175.0° |
| C14 | O9 | C10 | O4 | 167.9° | 178.9° |
| H18 | C14 | C15 | C16 | 66.5° | 64.9° |
| H18 | C14 | C15 | O10 | 171.1° | 175.1° |
| H18 | C14 | C15 | H19 | 52.9° | 55.0° |
| C16 | C15 | O10 | H19 | 116.9° | 120.0° |
| C15 | C16 | C17 | O11 | 122.1° | 120.0° |
| C15 | C16 | C17 | H20 | 118.8° | 120.0° |
| C15 | C16 | O11 | H20 | 119.0° | 120.0° |
| C15 | C16 | C17 | O12 | 179.0° | 175.0° |
| C15 | C16 | C17 | H21 | 58.7° | 55.0° |
| C15 | C16 | C17 | H22 | 60.6° | 65.0° |
| C16 | C15 | O10 | H29 | 160.4° | 60.0° |
| C15 | C16 | O11 | H30 | 180.0° | 60.0° |
| O10 | C15 | C16 | C17 | 56.6° | 60.0° |
| O10 | C15 | C16 | O11 | 177.9° | 180.0° |
| O10 | C15 | C16 | H20 | 62.3° | 60.0° |
| H19 | C15 | C16 | C17 | 61.2° | 60.0° |
| H19 | C15 | C16 | O11 | 60.1° | 60.0° |
| H19 | C15 | C16 | H20 | 179.9° | 180.0° |
| H19 | C15 | O10 | H29 | 43.5° | 180.0° |
| C17 | C16 | O11 | H20 | 118.3° | 120.0° |
| C16 | C17 | O12 | H21 | 120.4° | 120.0° |
| C16 | C17 | O12 | H22 | 120.4° | 120.0° |
| C16 | C17 | H21 | H22 | 118.9° | 120.0° |
| C17 | C16 | O11 | H30 | 57.4° | 60.0° |
| C16 | C17 | O12 | H31 | 180.0° | 180.0° |
| O11 | C16 | C17 | O12 | 58.9° | 65.0° |
| O11 | C16 | C17 | H21 | 179.2° | 175.0° |
| O11 | C16 | C17 | H22 | 61.5° | 55.0° |
| H20 | C16 | C17 | O12 | 60.2° | 55.0° |
| H20 | C16 | C17 | H21 | 60.1° | 65.0° |
| H20 | C16 | C17 | H22 | 179.4° | 175.1° |
| H20 | C16 | O11 | H30 | 61.0° | 180.0° |
| O12 | C17 | H21 | H22 | 118.9° | 120.0° |
| H21 | C17 | O12 | H31 | 59.6° | 59.9° |
| H22 | C17 | O12 | H31 | 59.6° | 60.0° |
| C19 | C18 | N2 | O13 | 178.0° | 180.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H25 | 120.0° | 119.9° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C19 | C18 | N2 | H26 | 1.6° | 0.0° |
| N2 | C18 | C19 | H23 | 178.0° | 89.9° |
| N2 | C18 | C19 | H24 | 62.0° | 150.0° |
| N2 | C18 | C19 | H25 | 58.0° | 30.0° |
| O13 | C18 | C19 | H23 | 0.0° | 90.1° |
| O13 | C18 | C19 | H24 | 120.0° | 30.0° |
| O13 | C18 | C19 | H25 | 120.0° | 150.0° |
| O13 | C18 | N2 | H26 | 176.5° | 180.0° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| C20 | N3 | H32 | H33 | 120.0° | 123.9° |
| N3 | C20 | C21 | C22 | 122.6° | 120.0° |
| N3 | C20 | C21 | H34 | 118.2° | 119.9° |
| N3 | C20 | C22 | H34 | 118.8° | 120.0° |
| N3 | C20 | C21 | O14 | 135.6° | 20.1° |
| N3 | C20 | C21 | O16 | 44.2° | 160.0° |
| N3 | C20 | C22 | O15 | 65.4° | 65.0° |
| N3 | C20 | C22 | H35 | 55.1° | 55.0° |
| N3 | C20 | C22 | H36 | 174.0° | 175.0° |
| H32 | N3 | C20 | C21 | 180.0° | 63.9° |
| H32 | N3 | C20 | C22 | 56.4° | 176.0° |
| H32 | N3 | C20 | H34 | 62.2° | 56.0° |
| H33 | N3 | C20 | C21 | 60.0° | 60.1° |
| H33 | N3 | C20 | C22 | 176.4° | 60.0° |
| H33 | N3 | C20 | H34 | 57.8° | 180.0° |
| C21 | C20 | C22 | H34 | 119.1° | 120.0° |
| C20 | C21 | O14 | O16 | 179.7° | 179.9° |
| C21 | C20 | C22 | O15 | 172.4° | 175.0° |
| C21 | C20 | C22 | H35 | 67.0° | 65.0° |
| C21 | C20 | C22 | H36 | 51.8° | 55.0° |
| C20 | C21 | O16 | H37 | 179.8° | 180.0° |
| C22 | C20 | C21 | O14 | 101.8° | 100.0° |
| C22 | C20 | C21 | O16 | 78.4° | 79.9° |
| C20 | C22 | O15 | H35 | 120.6° | 120.0° |
| C20 | C22 | O15 | H36 | 120.6° | 120.0° |
| C20 | C22 | H35 | H36 | 118.3° | 120.0° |
| C20 | C22 | O15 | C1 | 164.5° | 180.0° |
| H34 | C20 | C21 | O14 | 17.5° | 140.0° |
| H34 | C20 | C21 | O16 | 162.3° | 40.1° |
| H34 | C20 | C22 | O15 | 53.3° | 55.0° |
| H34 | C20 | C22 | H35 | 173.9° | 175.0° |
| H34 | C20 | C22 | H36 | 67.3° | 65.0° |
| O14 | C21 | O16 | H37 | 0.0° | 0.1° |
| O15 | C22 | H35 | H36 | 118.2° | 120.0° |
| H35 | C22 | O15 | C1 | 74.9° | 60.0° |
| H36 | C22 | O15 | C1 | 43.9° | 60.0° |
