59Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | P1 | doub | 1.48Å | 1.50Å | |
| O38 | C37 | doub | 1.21Å | 1.23Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O5 | sing | 1.61Å | 1.60Å | |
| P1 | C7 | sing | 1.82Å | 1.82Å | |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C37 | O39 | sing | 1.34Å | 1.34Å | |
| C37 | C34 | sing | 1.51Å | 1.52Å | |
| C21 | C19 | doub | 1.35Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.49Å | Aromatic |
| C24 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.47Å | 1.48Å | |
| C12 | N10 | sing | 1.35Å | 1.36Å | |
| C14 | N15 | sing | 1.38Å | 1.33Å | Aromatic |
| C18 | C17 | doub | 1.41Å | 1.43Å | Aromatic |
| C18 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.44Å | Aromatic |
| N15 | C34 | sing | 1.46Å | 1.48Å | |
| C17 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | N10 | sing | 1.47Å | 1.47Å | |
| C26 | C28 | doub | 1.36Å | 1.40Å | Aromatic |
| C32 | C30 | doub | 1.36Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C30 | H11 | sing | 1.08Å | 1.08Å | |
| C32 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| O39 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P1 | O3 | 115.8° | 109.5° |
| O2 | P1 | O5 | 112.0° | 109.5° |
| O2 | P1 | C7 | 116.0° | 109.5° |
| O38 | C37 | O39 | 122.0° | 120.0° |
| O38 | C37 | C34 | 124.7° | 120.0° |
| O3 | P1 | O5 | 102.6° | 109.5° |
| O3 | P1 | C7 | 102.5° | 109.5° |
| P1 | O3 | H7 | 109.5° | 114.0° |
| O5 | P1 | C7 | 106.5° | 109.5° |
| P1 | O5 | H8 | 109.5° | 114.0° |
| P1 | C7 | N10 | 110.9° | 109.4° |
| P1 | C7 | H1 | 109.1° | 109.5° |
| P1 | C7 | H2 | 109.1° | 109.4° |
| O13 | C12 | C14 | 117.1° | 120.0° |
| O13 | C12 | N10 | 122.4° | 120.0° |
| O39 | C37 | C34 | 113.3° | 120.0° |
| C37 | O39 | H15 | 109.5° | 117.0° |
| C37 | C34 | N15 | 114.1° | 109.5° |
| C37 | C34 | H13 | 108.3° | 109.5° |
| C37 | C34 | H14 | 108.3° | 109.5° |
| C19 | C21 | C23 | 116.2° | 120.9° |
| C21 | C19 | C18 | 121.8° | 120.5° |
| C19 | C21 | H3 | 121.9° | 119.6° |
| C21 | C19 | H10 | 119.1° | 119.8° |
| C21 | C23 | C24 | 130.2° | 132.9° |
| C21 | C23 | C16 | 124.5° | 120.2° |
| C23 | C21 | H3 | 121.9° | 119.5° |
| C23 | C24 | C14 | 106.0° | 107.6° |
| C24 | C23 | C16 | 105.2° | 106.9° |
| C23 | C24 | H4 | 127.0° | 126.2° |
| C24 | C14 | C12 | 119.1° | 125.5° |
| C24 | C14 | N15 | 110.7° | 108.9° |
| C14 | C24 | H4 | 127.0° | 126.2° |
| C19 | C18 | C17 | 121.3° | 119.8° |
| C19 | C18 | C26 | 118.1° | 120.8° |
| C18 | C19 | H10 | 119.1° | 119.8° |
| C23 | C16 | N15 | 107.0° | 107.7° |
| C23 | C16 | C17 | 119.3° | 119.2° |
| C14 | C12 | N10 | 120.4° | 120.0° |
| C12 | C14 | N15 | 129.5° | 125.5° |
| C12 | N10 | C7 | 121.9° | 120.0° |
| C12 | N10 | H9 | 119.1° | 120.0° |
| C14 | N15 | C16 | 111.0° | 108.8° |
| C14 | N15 | C34 | 123.4° | 125.6° |
| C17 | C18 | C26 | 120.5° | 119.3° |
| C18 | C17 | C16 | 116.8° | 119.4° |
| C18 | C17 | C32 | 116.2° | 119.5° |
| C18 | C26 | C28 | 121.3° | 119.7° |
| C18 | C26 | H5 | 119.4° | 120.2° |
| N15 | C16 | C17 | 133.8° | 133.1° |
| C16 | N15 | C34 | 125.5° | 125.6° |
| C16 | C17 | C32 | 126.9° | 121.1° |
| N15 | C34 | H13 | 108.3° | 109.5° |
| N15 | C34 | H14 | 108.3° | 109.5° |
| C17 | C32 | C30 | 122.9° | 119.7° |
| C17 | C32 | H12 | 118.5° | 120.2° |
| N10 | C7 | H1 | 109.1° | 109.5° |
| N10 | C7 | H2 | 109.1° | 109.5° |
| C7 | N10 | H9 | 119.0° | 120.0° |
| C26 | C28 | C30 | 119.4° | 120.9° |
| C28 | C26 | H5 | 119.4° | 120.1° |
| C26 | C28 | H6 | 120.3° | 119.6° |
| C32 | C30 | C28 | 119.6° | 120.8° |
| C32 | C30 | H11 | 120.2° | 119.6° |
| C30 | C32 | H12 | 118.6° | 120.1° |
| C30 | C28 | H6 | 120.3° | 119.5° |
| C28 | C30 | H11 | 120.2° | 119.6° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H13 | C34 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P1 | O3 | O5 | 122.4° | 120.0° |
| O2 | P1 | O3 | C7 | 127.3° | 120.0° |
| O2 | P1 | O5 | C7 | 127.8° | 120.0° |
| O2 | P1 | C7 | N10 | 37.9° | 55.0° |
| O2 | P1 | C7 | H1 | 158.1° | 175.0° |
| O2 | P1 | C7 | H2 | 82.3° | 65.0° |
| O2 | P1 | O3 | H7 | 0.0° | 60.0° |
| O2 | P1 | O5 | H8 | 0.0° | 180.0° |
| O38 | C37 | O39 | C34 | 179.8° | 179.9° |
| O38 | C37 | C34 | N15 | 0.9° | 0.0° |
| O38 | C37 | C34 | H13 | 121.6° | 120.0° |
| O38 | C37 | C34 | H14 | 119.8° | 120.0° |
| O38 | C37 | O39 | H15 | 0.0° | 0.0° |
| O3 | P1 | O5 | C7 | 107.3° | 120.0° |
| O3 | P1 | C7 | N10 | 165.1° | 175.0° |
| O3 | P1 | C7 | H1 | 74.7° | 65.0° |
| O3 | P1 | C7 | H2 | 44.9° | 55.0° |
| O3 | P1 | O5 | H8 | 124.9° | 60.0° |
| O5 | P1 | C7 | N10 | 87.5° | 65.0° |
| O5 | P1 | C7 | H1 | 32.7° | 55.0° |
| O5 | P1 | C7 | H2 | 152.3° | 175.0° |
| O5 | P1 | O3 | H7 | 122.4° | 60.0° |
| P1 | C7 | N10 | C12 | 74.3° | 95.0° |
| P1 | C7 | N10 | H1 | 120.2° | 120.0° |
| P1 | C7 | N10 | H2 | 120.2° | 120.0° |
| P1 | C7 | H1 | H2 | 119.4° | 120.0° |
| C7 | P1 | O3 | H7 | 127.3° | 180.0° |
| C7 | P1 | O5 | H8 | 127.8° | 60.0° |
| P1 | C7 | N10 | H9 | 105.6° | 85.0° |
| O13 | C12 | C14 | C24 | 123.6° | 174.6° |
| O13 | C12 | C14 | N10 | 176.0° | 180.0° |
| O13 | C12 | C14 | N15 | 45.3° | 5.3° |
| O13 | C12 | N10 | C7 | 0.7° | 5.0° |
| O13 | C12 | N10 | H9 | 179.3° | 175.1° |
| O39 | C37 | C34 | N15 | 178.9° | 179.9° |
| O39 | C37 | C34 | H13 | 58.2° | 60.0° |
| O39 | C37 | C34 | H14 | 60.4° | 60.0° |
| C37 | C34 | N15 | C14 | 103.4° | 95.9° |
| C37 | C34 | N15 | C16 | 77.5° | 84.2° |
| C37 | C34 | N15 | H13 | 120.7° | 120.0° |
| C37 | C34 | N15 | H14 | 120.7° | 120.0° |
| C37 | C34 | H13 | H14 | 117.9° | 120.0° |
| C34 | C37 | O39 | H15 | 179.8° | 180.0° |
| C19 | C21 | C23 | H3 | 180.0° | 179.9° |
| C19 | C21 | C23 | C24 | 177.4° | 180.0° |
| C21 | C19 | C18 | H10 | 180.0° | 179.8° |
| C19 | C21 | C23 | C16 | 0.3° | 0.1° |
| C21 | C19 | C18 | C17 | 2.6° | 0.0° |
| C21 | C19 | C18 | C26 | 176.6° | 179.9° |
| C21 | C23 | C24 | C16 | 177.6° | 179.9° |
| C21 | C23 | C24 | C14 | 179.4° | 180.0° |
| C23 | C21 | C19 | C18 | 1.3° | 0.2° |
| C21 | C23 | C16 | N15 | 178.5° | 179.9° |
| C21 | C23 | C16 | C17 | 0.7° | 0.1° |
| C21 | C23 | C24 | H4 | 0.6° | 0.1° |
| C23 | C21 | C19 | H10 | 178.7° | 180.0° |
| C23 | C24 | C14 | H4 | 180.0° | 180.0° |
| C23 | C24 | C14 | C12 | 175.2° | 180.0° |
| C23 | C24 | C14 | N15 | 4.3° | 0.0° |
| C24 | C23 | C16 | N15 | 0.7° | 0.2° |
| C24 | C23 | C16 | C17 | 178.4° | 179.8° |
| C24 | C23 | C21 | H3 | 2.6° | 0.1° |
| C14 | C24 | C23 | C16 | 3.0° | 0.1° |
| C24 | C14 | C12 | N15 | 168.9° | 180.0° |
| C24 | C14 | C12 | N10 | 52.4° | 5.4° |
| C24 | C14 | N15 | C16 | 4.1° | 0.1° |
| C24 | C14 | N15 | C34 | 176.6° | 180.0° |
| C19 | C18 | C17 | C26 | 179.1° | 179.9° |
| C19 | C18 | C17 | C16 | 2.0° | 0.1° |
| C19 | C18 | C17 | C32 | 179.9° | 179.9° |
| C19 | C18 | C26 | C28 | 179.6° | 179.9° |
| C18 | C19 | C21 | H3 | 178.7° | 180.0° |
| C19 | C18 | C26 | H5 | 0.4° | 0.1° |
| C23 | C16 | N15 | C14 | 1.9° | 0.2° |
| C23 | C16 | C17 | C18 | 0.5° | 0.2° |
| C23 | C16 | N15 | C17 | 179.0° | 180.0° |
| C23 | C16 | N15 | C34 | 178.8° | 179.9° |
| C23 | C16 | C17 | C32 | 178.1° | 180.0° |
| C16 | C23 | C21 | H3 | 179.7° | 180.0° |
| C16 | C23 | C24 | H4 | 177.0° | 179.9° |
| C12 | C14 | N15 | C16 | 173.7° | 179.9° |
| C12 | C14 | N15 | C34 | 7.0° | 0.0° |
| C14 | C12 | N10 | C7 | 176.5° | 175.0° |
| C12 | C14 | C24 | H4 | 4.8° | 0.0° |
| C14 | C12 | N10 | H9 | 3.4° | 4.9° |
| N10 | C12 | C14 | N15 | 138.7° | 174.7° |
| C12 | N10 | C7 | H9 | 180.0° | 179.9° |
| C12 | N10 | C7 | H1 | 165.4° | 25.0° |
| C12 | N10 | C7 | H2 | 45.9° | 145.0° |
| C14 | N15 | C16 | C34 | 179.2° | 179.8° |
| C14 | N15 | C16 | C17 | 179.1° | 179.8° |
| N15 | C14 | C24 | H4 | 175.7° | 180.0° |
| C14 | N15 | C34 | H13 | 17.3° | 24.1° |
| C14 | N15 | C34 | H14 | 135.9° | 144.1° |
| C18 | C17 | C16 | N15 | 179.4° | 179.7° |
| C18 | C17 | C16 | C32 | 177.6° | 179.7° |
| C17 | C18 | C26 | C28 | 1.3° | 0.0° |
| C18 | C17 | C32 | C30 | 0.5° | 0.2° |
| C17 | C18 | C26 | H5 | 178.8° | 179.8° |
| C17 | C18 | C19 | H10 | 177.5° | 179.8° |
| C18 | C17 | C32 | H12 | 179.5° | 179.7° |
| C26 | C18 | C17 | C16 | 177.0° | 179.7° |
| C26 | C18 | C17 | C32 | 0.8° | 0.0° |
| C18 | C26 | C28 | H5 | 180.0° | 179.8° |
| C18 | C26 | C28 | C30 | 0.3° | 0.2° |
| C18 | C26 | C28 | H6 | 179.7° | 179.8° |
| C26 | C18 | C19 | H10 | 3.4° | 0.3° |
| N15 | C16 | C17 | C32 | 3.0° | 0.0° |
| C16 | N15 | C34 | H13 | 161.9° | 155.8° |
| C16 | N15 | C34 | H14 | 43.2° | 35.8° |
| C17 | C16 | N15 | C34 | 0.1° | 0.0° |
| C16 | C17 | C32 | C30 | 178.1° | 180.0° |
| C16 | C17 | C32 | H12 | 1.9° | 0.0° |
| N15 | C34 | H13 | H14 | 117.9° | 120.0° |
| C17 | C32 | C30 | H12 | 180.0° | 180.0° |
| C17 | C32 | C30 | C28 | 1.4° | 0.5° |
| C17 | C32 | C30 | H11 | 178.6° | 180.0° |
| N10 | C7 | H1 | H2 | 119.4° | 120.0° |
| C26 | C28 | C30 | C32 | 1.0° | 0.5° |
| C26 | C28 | C30 | H6 | 180.0° | 179.9° |
| C26 | C28 | C30 | H11 | 179.0° | 180.0° |
| C32 | C30 | C28 | H11 | 180.0° | 179.5° |
| C32 | C30 | C28 | H6 | 179.0° | 179.6° |
| C30 | C28 | C26 | H5 | 179.7° | 180.0° |
| C28 | C30 | C32 | H12 | 178.6° | 179.4° |
| H1 | C7 | N10 | H9 | 14.6° | 155.0° |
| H2 | C7 | N10 | H9 | 134.1° | 34.9° |
| H3 | C21 | C19 | H10 | 1.3° | 0.2° |
| H5 | C26 | C28 | H6 | 0.3° | 0.0° |
| H6 | C28 | C30 | H11 | 1.0° | 0.0° |
| H11 | C30 | C32 | H12 | 1.4° | 0.1° |
