LQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C28 | sing | 1.38Å | 1.33Å | |
| C28 | N14 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.33Å | Aromatic |
| N14 | C29 | sing | 1.32Å | 1.40Å | Aromatic |
| O29 | P6 | doub | 1.48Å | 1.47Å | |
| C27 | N12 | sing | 1.35Å | 1.33Å | Aromatic |
| C27 | C30 | doub | 1.40Å | 1.34Å | Aromatic |
| N12 | C26 | doub | 1.30Å | 1.33Å | Aromatic |
| O31 | P6 | sing | 1.61Å | 1.47Å | |
| C29 | N15 | doub | 1.32Å | 1.41Å | Aromatic |
| O8 | P2 | doub | 1.48Å | 1.48Å | |
| P6 | O30 | sing | 1.61Å | 1.47Å | |
| P6 | O28 | sing | 1.61Å | 1.62Å | |
| C30 | N15 | sing | 1.33Å | 1.35Å | Aromatic |
| C30 | N11 | sing | 1.37Å | 1.34Å | Aromatic |
| C26 | N11 | sing | 1.36Å | 1.33Å | Aromatic |
| O9 | P2 | sing | 1.61Å | 1.48Å | |
| N11 | C25 | sing | 1.47Å | 1.49Å | |
| P2 | O25 | sing | 1.61Å | 1.58Å | |
| P2 | O10 | sing | 1.61Å | 1.58Å | |
| O25 | P5 | sing | 1.61Å | 1.56Å | |
| O28 | P5 | sing | 1.61Å | 1.63Å | |
| O16 | C25 | sing | 1.45Å | 1.47Å | |
| O16 | C22 | sing | 1.44Å | 1.48Å | |
| P5 | O26 | doub | 1.48Å | 1.46Å | |
| P5 | O27 | sing | 1.61Å | 1.47Å | |
| C25 | C24 | sing | 1.54Å | 1.53Å | |
| C15 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C15 | N6 | sing | 1.36Å | 1.33Å | Aromatic |
| N7 | C16 | sing | 1.35Å | 1.33Å | Aromatic |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | C20 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | O15 | sing | 1.43Å | 1.44Å | |
| N8 | C17 | sing | 1.38Å | 1.33Å | |
| C22 | C23 | sing | 1.54Å | 1.56Å | |
| N6 | C14 | sing | 1.46Å | 1.50Å | |
| N6 | C19 | sing | 1.37Å | 1.33Å | Aromatic |
| C24 | O17 | sing | 1.43Å | 1.46Å | |
| C24 | C23 | sing | 1.54Å | 1.50Å | |
| C20 | C12 | sing | 1.54Å | 1.54Å | |
| C20 | O18 | sing | 1.43Å | 1.46Å | |
| C16 | C17 | doub | 1.41Å | 1.34Å | Aromatic |
| C16 | C19 | sing | 1.41Å | 1.33Å | Aromatic |
| C14 | O11 | sing | 1.44Å | 1.48Å | |
| C12 | O11 | sing | 1.44Å | 1.46Å | |
| C17 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C23 | O19 | sing | 1.43Å | 1.47Å | |
| O18 | P3 | sing | 1.61Å | 1.67Å | |
| O15 | P3 | sing | 1.61Å | 1.64Å | |
| N9 | C18 | doub | 1.32Å | 1.40Å | Aromatic |
| P3 | O13 | doub | 1.48Å | 1.48Å | |
| P3 | O14 | sing | 1.61Å | 1.47Å | |
| N10 | C18 | sing | 1.32Å | 1.40Å | Aromatic |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| N8 | H15 | sing | 0.97Å | 1.00Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å | |
| O27 | H20 | sing | 0.97Å | 0.95Å | |
| O30 | H21 | sing | 0.97Å | 0.95Å | |
| O31 | H22 | sing | 0.97Å | 0.95Å | |
| O14 | H23 | sing | 0.97Å | 0.95Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| N13 | H25 | sing | 0.97Å | 1.00Å | |
| N13 | H26 | sing | 0.97Å | 1.00Å | |
| O17 | H27 | sing | 0.97Å | 0.95Å | |
| O19 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C28 | N14 | 122.1° | 120.7° |
| N13 | C28 | C27 | 115.7° | 120.7° |
| C28 | N13 | H25 | 109.5° | 120.0° |
| C28 | N13 | H26 | 109.5° | 120.0° |
| N14 | C28 | C27 | 122.2° | 118.5° |
| C28 | N14 | C29 | 118.4° | 121.2° |
| C28 | C27 | N12 | 131.0° | 134.7° |
| C28 | C27 | C30 | 121.0° | 118.1° |
| N14 | C29 | N15 | 118.4° | 122.5° |
| N14 | C29 | H7 | 120.8° | 118.8° |
| O29 | P6 | O31 | 114.3° | 109.5° |
| O29 | P6 | O30 | 114.6° | 109.5° |
| O29 | P6 | O28 | 100.0° | 109.5° |
| N12 | C27 | C30 | 108.1° | 107.2° |
| C27 | N12 | C26 | 108.1° | 109.4° |
| C27 | C30 | N15 | 120.4° | 119.1° |
| C27 | C30 | N11 | 107.3° | 106.0° |
| N12 | C26 | N11 | 108.2° | 110.0° |
| N12 | C26 | H3 | 125.9° | 125.0° |
| O31 | P6 | O30 | 114.5° | 109.5° |
| O31 | P6 | O28 | 101.4° | 109.5° |
| P6 | O31 | H22 | 109.5° | 114.0° |
| C29 | N15 | C30 | 119.6° | 120.6° |
| N15 | C29 | H7 | 120.8° | 118.7° |
| O8 | P2 | O9 | 120.6° | 109.4° |
| O8 | P2 | O25 | 103.4° | 109.5° |
| O8 | P2 | O10 | 111.0° | 109.5° |
| O30 | P6 | O28 | 109.9° | 109.4° |
| P6 | O30 | H21 | 109.5° | 114.0° |
| P6 | O28 | P5 | 124.3° | 134.0° |
| N15 | C30 | N11 | 132.2° | 134.9° |
| C30 | N11 | C26 | 108.3° | 107.4° |
| C30 | N11 | C25 | 130.3° | 126.3° |
| C26 | N11 | C25 | 121.4° | 126.3° |
| N11 | C26 | H3 | 125.9° | 125.0° |
| O9 | P2 | O25 | 109.6° | 109.5° |
| O9 | P2 | O10 | 106.2° | 109.5° |
| P2 | O9 | H19 | 109.5° | 113.9° |
| N11 | C25 | O16 | 110.8° | 110.5° |
| N11 | C25 | C24 | 110.9° | 110.3° |
| N11 | C25 | H6 | 109.7° | 110.3° |
| O25 | P2 | O10 | 105.1° | 109.5° |
| P2 | O25 | P5 | 122.8° | 134.0° |
| P2 | O10 | C11 | 124.8° | 123.0° |
| O25 | P5 | O28 | 106.6° | 109.5° |
| O25 | P5 | O26 | 106.4° | 109.4° |
| O25 | P5 | O27 | 106.8° | 109.5° |
| O28 | P5 | O26 | 105.8° | 109.5° |
| O28 | P5 | O27 | 110.3° | 109.5° |
| C25 | O16 | C22 | 107.6° | 105.3° |
| O16 | C25 | C24 | 106.3° | 104.8° |
| O16 | C25 | H6 | 110.0° | 110.4° |
| O16 | C22 | C21 | 110.5° | 110.4° |
| O16 | C22 | C23 | 105.5° | 104.8° |
| O16 | C22 | H24 | 109.7° | 110.5° |
| O26 | P5 | O27 | 120.2° | 109.4° |
| P5 | O27 | H20 | 109.5° | 114.0° |
| C25 | C24 | O17 | 112.4° | 110.5° |
| C25 | C24 | C23 | 100.9° | 104.0° |
| C24 | C25 | H6 | 109.1° | 110.4° |
| C25 | C24 | H8 | 110.5° | 110.6° |
| N7 | C15 | N6 | 107.9° | 110.0° |
| C15 | N7 | C16 | 108.8° | 109.4° |
| N7 | C15 | H10 | 126.1° | 125.0° |
| C15 | N6 | C14 | 129.8° | 126.3° |
| C15 | N6 | C19 | 107.9° | 107.4° |
| N6 | C15 | H10 | 126.0° | 125.0° |
| N7 | C16 | C17 | 132.2° | 134.7° |
| N7 | C16 | C19 | 107.0° | 107.2° |
| O10 | C11 | C12 | 103.3° | 109.5° |
| O10 | C11 | H17 | 111.0° | 109.5° |
| O10 | C11 | H18 | 111.0° | 109.5° |
| O12 | C13 | C20 | 115.0° | 110.9° |
| O12 | C13 | C14 | 110.5° | 110.9° |
| O12 | C13 | H11 | 110.9° | 110.8° |
| C13 | O12 | H16 | 109.5° | 114.0° |
| C20 | C13 | C14 | 100.8° | 102.1° |
| C13 | C20 | C12 | 99.9° | 104.2° |
| C13 | C20 | O18 | 113.9° | 110.5° |
| C13 | C20 | H1 | 110.2° | 110.6° |
| C20 | C13 | H11 | 109.4° | 111.0° |
| C13 | C14 | N6 | 115.0° | 110.6° |
| C13 | C14 | O11 | 105.1° | 103.5° |
| C14 | C13 | H11 | 109.8° | 110.9° |
| C13 | C14 | H12 | 109.3° | 110.6° |
| C11 | C12 | C20 | 112.0° | 109.9° |
| C11 | C12 | O11 | 110.7° | 109.9° |
| C11 | C12 | H13 | 109.7° | 110.0° |
| C12 | C11 | H17 | 111.0° | 109.5° |
| C12 | C11 | H18 | 111.0° | 109.5° |
| C22 | C21 | O15 | 113.3° | 109.4° |
| C21 | C22 | C23 | 113.8° | 110.4° |
| C22 | C21 | H4 | 108.5° | 109.4° |
| C22 | C21 | H5 | 108.5° | 109.4° |
| C21 | C22 | H24 | 108.6° | 110.3° |
| C21 | O15 | P3 | 124.8° | 123.0° |
| O15 | C21 | H4 | 108.5° | 109.5° |
| O15 | C21 | H5 | 108.5° | 109.5° |
| N8 | C17 | C16 | 117.2° | 120.8° |
| N8 | C17 | N9 | 120.9° | 120.8° |
| C17 | N8 | H14 | 109.5° | 120.0° |
| C17 | N8 | H15 | 109.5° | 120.0° |
| C22 | C23 | C24 | 104.4° | 104.2° |
| C22 | C23 | O19 | 110.8° | 110.5° |
| C22 | C23 | H2 | 109.9° | 110.5° |
| C23 | C22 | H24 | 108.6° | 110.3° |
| C14 | N6 | C19 | 122.2° | 126.3° |
| N6 | C14 | O11 | 108.0° | 110.6° |
| N6 | C14 | H12 | 109.6° | 110.6° |
| N6 | C19 | C16 | 108.4° | 106.0° |
| N6 | C19 | N10 | 131.1° | 134.9° |
| O17 | C24 | C23 | 110.3° | 110.5° |
| O17 | C24 | H8 | 111.5° | 110.6° |
| C24 | O17 | H27 | 109.5° | 114.0° |
| C24 | C23 | O19 | 109.8° | 110.5° |
| C24 | C23 | H2 | 110.6° | 110.5° |
| C23 | C24 | H8 | 110.8° | 110.6° |
| C12 | C20 | O18 | 110.6° | 110.5° |
| C20 | C12 | O11 | 104.1° | 107.3° |
| C12 | C20 | H1 | 110.3° | 110.5° |
| C20 | C12 | H13 | 109.6° | 109.9° |
| C20 | O18 | P3 | 127.0° | 123.0° |
| O18 | C20 | H1 | 111.3° | 110.4° |
| C17 | C16 | C19 | 120.7° | 118.2° |
| C16 | C17 | N9 | 122.0° | 118.5° |
| C16 | C19 | N10 | 120.6° | 119.1° |
| C14 | O11 | C12 | 108.6° | 107.0° |
| O11 | C14 | H12 | 109.8° | 110.6° |
| O11 | C12 | H13 | 110.7° | 109.9° |
| C17 | N9 | C18 | 118.5° | 121.2° |
| C19 | N10 | C18 | 119.7° | 120.7° |
| O19 | C23 | H2 | 111.2° | 110.5° |
| C23 | O19 | H28 | 109.5° | 114.0° |
| O18 | P3 | O15 | 107.9° | 109.5° |
| O18 | P3 | O13 | 107.5° | 109.5° |
| O18 | P3 | O14 | 109.7° | 109.5° |
| O15 | P3 | O13 | 105.7° | 109.5° |
| O15 | P3 | O14 | 106.7° | 109.4° |
| N9 | C18 | N10 | 118.5° | 122.5° |
| N9 | C18 | H9 | 120.8° | 118.7° |
| O13 | P3 | O14 | 118.8° | 109.5° |
| P3 | O14 | H23 | 109.5° | 114.0° |
| N10 | C18 | H9 | 120.8° | 118.8° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H14 | N8 | H15 | 109.4° | 120.0° |
| H17 | C11 | H18 | 109.4° | 109.4° |
| H25 | N13 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C28 | N14 | C27 | 179.9° | 180.0° |
| N13 | C28 | N14 | C29 | 179.8° | 179.8° |
| N13 | C28 | C27 | N12 | 0.1° | 0.0° |
| N13 | C28 | C27 | C30 | 179.9° | 179.7° |
| C28 | N13 | H25 | H26 | 120.0° | 179.9° |
| N14 | C28 | C27 | N12 | 180.0° | 180.0° |
| N14 | C28 | C27 | C30 | 0.0° | 0.3° |
| C28 | N14 | C29 | N15 | 0.2° | 0.0° |
| C28 | N14 | C29 | H7 | 179.8° | 179.8° |
| N14 | C28 | N13 | H25 | 0.0° | 0.1° |
| N14 | C28 | N13 | H26 | 120.0° | 180.0° |
| C27 | C28 | N14 | C29 | 0.1° | 0.3° |
| C28 | C27 | N12 | C30 | 180.0° | 179.7° |
| C28 | C27 | N12 | C26 | 179.8° | 179.7° |
| C28 | C27 | C30 | N15 | 0.1° | 0.2° |
| C28 | C27 | C30 | N11 | 180.0° | 179.7° |
| C27 | C28 | N13 | H25 | 179.9° | 180.0° |
| C27 | C28 | N13 | H26 | 60.1° | 0.0° |
| N14 | C29 | N15 | H7 | 180.0° | 179.8° |
| N14 | C29 | N15 | C30 | 0.1° | 0.2° |
| O29 | P6 | O31 | O30 | 135.0° | 120.0° |
| O29 | P6 | O31 | O28 | 106.6° | 120.0° |
| O29 | P6 | O30 | O28 | 111.7° | 120.0° |
| O29 | P6 | O28 | P5 | 53.2° | 40.0° |
| O29 | P6 | O30 | H21 | 0.0° | 180.0° |
| O29 | P6 | O31 | H22 | 0.0° | 60.0° |
| N12 | C27 | C30 | N15 | 179.9° | 180.0° |
| N12 | C27 | C30 | N11 | 0.0° | 0.0° |
| C27 | N12 | C26 | N11 | 0.3° | 0.0° |
| C27 | N12 | C26 | H3 | 179.7° | 180.0° |
| C30 | C27 | N12 | C26 | 0.2° | 0.0° |
| C27 | C30 | N15 | C29 | 0.0° | 0.1° |
| C27 | C30 | N15 | N11 | 179.9° | 179.9° |
| C27 | C30 | N11 | C26 | 0.2° | 0.0° |
| C27 | C30 | N11 | C25 | 179.9° | 179.9° |
| N12 | C26 | N11 | C30 | 0.3° | 0.0° |
| N12 | C26 | N11 | H3 | 180.0° | 180.0° |
| N12 | C26 | N11 | C25 | 180.0° | 180.0° |
| O31 | P6 | O30 | O28 | 113.4° | 120.0° |
| O31 | P6 | O28 | P5 | 170.7° | 160.0° |
| O31 | P6 | O30 | H21 | 134.9° | 60.0° |
| C29 | N15 | C30 | N11 | 179.9° | 180.0° |
| O8 | P2 | O9 | O25 | 119.8° | 120.0° |
| O8 | P2 | O9 | O10 | 127.2° | 120.0° |
| O8 | P2 | O25 | O10 | 116.4° | 120.0° |
| O8 | P2 | O25 | P5 | 164.0° | 39.9° |
| O8 | P2 | O10 | C11 | 69.3° | 55.0° |
| O8 | P2 | O9 | H19 | 0.0° | 180.0° |
| O30 | P6 | O28 | P5 | 67.7° | 80.0° |
| O30 | P6 | O31 | H22 | 135.1° | 60.0° |
| P6 | O28 | P5 | O25 | 64.8° | 165.0° |
| P6 | O28 | P5 | O26 | 48.2° | 45.0° |
| P6 | O28 | P5 | O27 | 179.7° | 75.0° |
| O28 | P6 | O30 | H21 | 111.6° | 60.0° |
| O28 | P6 | O31 | H22 | 106.6° | 180.0° |
| N15 | C30 | N11 | C26 | 179.9° | 179.9° |
| N15 | C30 | N11 | C25 | 0.2° | 0.0° |
| C30 | N15 | C29 | H7 | 179.9° | 180.0° |
| C30 | N11 | C26 | C25 | 179.7° | 180.0° |
| C30 | N11 | C25 | O16 | 48.6° | 159.6° |
| C30 | N11 | C25 | C24 | 69.2° | 85.0° |
| C30 | N11 | C26 | H3 | 179.7° | 180.0° |
| C30 | N11 | C25 | H6 | 170.2° | 37.3° |
| C26 | N11 | C25 | O16 | 131.7° | 20.3° |
| C26 | N11 | C25 | C24 | 110.5° | 95.0° |
| C26 | N11 | C25 | H6 | 10.1° | 142.7° |
| O9 | P2 | O25 | O10 | 113.8° | 120.0° |
| O9 | P2 | O25 | P5 | 34.2° | 80.0° |
| O9 | P2 | O10 | C11 | 157.9° | 65.0° |
| N11 | C25 | O16 | C24 | 120.6° | 118.8° |
| N11 | C25 | O16 | H6 | 121.4° | 122.3° |
| N11 | C25 | O16 | C22 | 144.8° | 159.3° |
| N11 | C25 | C24 | H6 | 120.9° | 122.2° |
| N11 | C25 | C24 | O17 | 83.9° | 98.5° |
| N11 | C25 | C24 | C23 | 158.7° | 142.9° |
| C25 | N11 | C26 | H3 | 0.0° | 0.1° |
| N11 | C25 | C24 | H8 | 41.4° | 24.2° |
| P2 | O25 | P5 | O28 | 73.2° | 160.0° |
| P2 | O25 | P5 | O26 | 174.2° | 40.1° |
| P2 | O25 | P5 | O27 | 44.7° | 79.9° |
| O25 | P2 | O10 | C11 | 41.8° | 175.0° |
| O25 | P2 | O9 | H19 | 119.7° | 60.0° |
| O10 | P2 | O25 | P5 | 79.5° | 160.0° |
| P2 | O10 | C11 | C12 | 171.5° | 180.0° |
| P2 | O10 | C11 | H17 | 69.5° | 60.0° |
| P2 | O10 | C11 | H18 | 52.4° | 60.0° |
| O10 | P2 | O9 | H19 | 127.2° | 60.0° |
| O25 | P5 | O28 | O26 | 113.0° | 120.0° |
| O25 | P5 | O28 | O27 | 115.5° | 120.1° |
| O25 | P5 | O26 | O27 | 121.3° | 120.0° |
| O25 | P5 | O27 | H20 | 121.1° | 60.0° |
| O28 | P5 | O26 | O27 | 125.6° | 120.0° |
| O28 | P5 | O27 | H20 | 123.5° | 60.0° |
| O16 | C25 | C24 | H6 | 118.5° | 118.9° |
| C25 | O16 | C22 | C21 | 124.0° | 159.2° |
| C25 | O16 | C22 | C23 | 0.6° | 40.4° |
| O16 | C25 | C24 | O17 | 155.6° | 142.6° |
| O16 | C25 | C24 | C23 | 38.1° | 24.0° |
| O16 | C25 | C24 | H8 | 79.1° | 94.7° |
| C25 | O16 | C22 | H24 | 116.3° | 78.5° |
| C22 | O16 | C25 | C24 | 24.2° | 40.5° |
| O16 | C22 | C21 | C23 | 118.4° | 115.4° |
| O16 | C22 | C21 | H24 | 120.4° | 122.4° |
| O16 | C22 | C21 | O15 | 158.5° | 69.6° |
| O16 | C22 | C23 | H24 | 117.5° | 119.0° |
| O16 | C22 | C23 | C24 | 23.4° | 23.9° |
| O16 | C22 | C23 | O19 | 94.7° | 142.6° |
| O16 | C22 | C23 | H2 | 142.1° | 94.8° |
| O16 | C22 | C21 | H4 | 37.9° | 50.4° |
| O16 | C22 | C21 | H5 | 81.0° | 170.4° |
| C22 | O16 | C25 | H6 | 93.8° | 78.4° |
| O26 | P5 | O27 | H20 | 0.0° | 180.0° |
| C25 | C24 | C23 | C22 | 36.7° | 0.1° |
| C25 | C24 | O17 | C23 | 111.7° | 114.6° |
| C25 | C24 | O17 | H8 | 124.7° | 122.7° |
| C25 | C24 | C23 | H8 | 117.1° | 118.7° |
| C25 | C24 | C23 | O19 | 82.0° | 118.6° |
| C25 | C24 | C23 | H2 | 154.9° | 118.8° |
| C25 | C24 | O17 | H27 | 180.0° | 180.0° |
| N7 | C15 | N6 | H10 | 180.0° | 179.7° |
| N7 | C15 | N6 | C14 | 179.1° | 179.9° |
| N7 | C15 | N6 | C19 | 0.3° | 0.2° |
| C15 | N7 | C16 | C17 | 179.9° | 179.9° |
| C15 | N7 | C16 | C19 | 0.4° | 0.3° |
| N6 | C15 | N7 | C16 | 0.5° | 0.3° |
| C15 | N6 | C14 | C13 | 25.0° | 95.0° |
| C15 | N6 | C14 | C19 | 178.6° | 179.7° |
| C15 | N6 | C19 | C16 | 0.0° | 0.0° |
| C15 | N6 | C14 | O11 | 92.0° | 19.1° |
| C15 | N6 | C19 | N10 | 180.0° | 179.6° |
| C15 | N6 | C14 | H12 | 148.5° | 142.0° |
| N7 | C16 | C17 | N8 | 0.8° | 0.0° |
| N7 | C16 | C19 | N6 | 0.2° | 0.2° |
| N7 | C16 | C17 | C19 | 179.4° | 179.8° |
| N7 | C16 | C17 | N9 | 179.4° | 180.0° |
| N7 | C16 | C19 | N10 | 179.7° | 179.9° |
| C16 | N7 | C15 | H10 | 179.5° | 180.0° |
| O10 | C11 | C12 | H17 | 119.0° | 120.0° |
| O10 | C11 | C12 | H18 | 119.0° | 120.0° |
| O10 | C11 | C12 | C20 | 48.0° | 175.0° |
| O10 | C11 | C12 | O11 | 163.7° | 67.2° |
| O10 | C11 | C12 | H13 | 73.9° | 53.9° |
| O10 | C11 | H17 | H18 | 122.9° | 120.0° |
| O12 | C13 | C20 | C14 | 118.9° | 118.2° |
| O12 | C13 | C20 | H11 | 125.5° | 123.5° |
| O12 | C13 | C14 | H11 | 122.6° | 123.5° |
| O12 | C13 | C14 | N6 | 84.6° | 86.2° |
| O12 | C13 | C20 | C12 | 164.0° | 139.1° |
| O12 | C13 | C20 | O18 | 46.1° | 20.4° |
| O12 | C13 | C14 | O11 | 156.8° | 155.2° |
| O12 | C13 | C20 | H1 | 79.9° | 102.2° |
| O12 | C13 | C14 | H12 | 39.1° | 36.7° |
| C20 | C13 | C14 | H11 | 115.3° | 118.3° |
| C13 | C20 | C12 | C11 | 79.9° | 121.4° |
| C20 | C13 | C14 | N6 | 153.4° | 155.6° |
| C13 | C20 | C12 | O18 | 120.3° | 118.8° |
| C13 | C20 | C12 | H1 | 116.0° | 118.8° |
| C13 | C20 | O18 | H1 | 125.4° | 122.7° |
| C20 | C13 | C14 | O11 | 34.8° | 37.0° |
| C13 | C20 | C12 | O11 | 39.7° | 2.0° |
| C13 | C20 | O18 | P3 | 176.9° | 125.2° |
| C20 | C13 | C14 | H12 | 83.0° | 81.5° |
| C13 | C20 | C12 | H13 | 158.1° | 117.4° |
| C20 | C13 | O12 | H16 | 180.0° | 180.0° |
| C13 | C14 | N6 | O11 | 117.0° | 114.1° |
| C13 | C14 | N6 | H12 | 123.5° | 123.0° |
| C13 | C14 | N6 | C19 | 156.4° | 84.7° |
| C14 | C13 | C20 | C12 | 45.1° | 20.9° |
| C14 | C13 | C20 | O18 | 72.8° | 97.8° |
| C13 | C14 | O11 | H12 | 117.4° | 118.5° |
| C13 | C14 | O11 | C12 | 10.2° | 40.1° |
| C14 | C13 | C20 | H1 | 161.2° | 139.6° |
| C14 | C13 | O12 | H16 | 66.7° | 67.2° |
| C11 | C12 | C20 | O11 | 119.7° | 119.4° |
| C11 | C12 | C20 | H13 | 121.9° | 121.2° |
| C11 | C12 | C20 | O18 | 159.8° | 119.8° |
| C11 | C12 | O11 | C14 | 101.6° | 146.0° |
| C11 | C12 | O11 | H13 | 121.8° | 121.1° |
| C11 | C12 | C20 | H1 | 36.1° | 2.7° |
| C12 | C11 | H17 | H18 | 122.9° | 120.0° |
| C22 | C21 | O15 | H4 | 120.6° | 119.9° |
| C22 | C21 | O15 | H5 | 120.6° | 120.0° |
| C21 | C22 | C23 | H24 | 121.2° | 122.2° |
| C21 | C22 | C23 | C24 | 97.9° | 142.7° |
| C21 | C22 | C23 | O19 | 144.1° | 98.5° |
| C22 | C21 | O15 | P3 | 97.7° | 180.0° |
| C21 | C22 | C23 | H2 | 20.8° | 24.1° |
| C22 | C21 | H4 | H5 | 118.2° | 120.0° |
| O15 | C21 | C22 | C23 | 40.0° | 175.0° |
| C21 | O15 | P3 | O18 | 43.3° | 175.0° |
| C21 | O15 | P3 | O13 | 71.5° | 54.9° |
| C21 | O15 | P3 | O14 | 161.2° | 65.1° |
| O15 | C21 | H4 | H5 | 118.2° | 120.1° |
| O15 | C21 | C22 | H24 | 81.2° | 52.8° |
| N8 | C17 | C16 | N9 | 179.9° | 180.0° |
| N8 | C17 | C16 | C19 | 179.8° | 179.8° |
| N8 | C17 | N9 | C18 | 179.5° | 180.0° |
| C17 | N8 | H14 | H15 | 120.0° | 179.9° |
| C22 | C23 | C24 | O17 | 155.7° | 118.7° |
| C22 | C23 | C24 | O19 | 118.8° | 118.8° |
| C22 | C23 | C24 | H2 | 118.2° | 118.7° |
| C22 | C23 | O19 | H2 | 122.5° | 122.6° |
| C23 | C22 | C21 | H4 | 80.6° | 65.0° |
| C23 | C22 | C21 | H5 | 160.6° | 55.0° |
| C22 | C23 | C24 | H8 | 80.3° | 118.6° |
| C22 | C23 | O19 | H28 | 180.0° | 178.1° |
| C14 | N6 | C19 | C16 | 178.9° | 179.8° |
| N6 | C14 | O11 | H12 | 119.4° | 122.9° |
| N6 | C14 | O11 | C12 | 133.4° | 158.6° |
| C14 | N6 | C19 | N10 | 1.1° | 0.1° |
| C14 | N6 | C15 | H10 | 0.9° | 0.4° |
| N6 | C14 | C13 | H11 | 38.1° | 37.3° |
| N6 | C19 | C16 | C17 | 179.8° | 180.0° |
| N6 | C19 | C16 | N10 | 180.0° | 179.7° |
| C19 | N6 | C14 | O11 | 86.6° | 161.2° |
| N6 | C19 | N10 | C18 | 179.8° | 179.7° |
| C19 | N6 | C15 | H10 | 179.7° | 179.9° |
| C19 | N6 | C14 | H12 | 32.9° | 38.3° |
| O17 | C24 | C23 | H8 | 123.9° | 122.7° |
| O17 | C24 | C23 | O19 | 37.0° | 0.1° |
| O17 | C24 | C23 | H2 | 86.1° | 122.6° |
| O17 | C24 | C25 | H6 | 37.0° | 23.7° |
| C24 | C23 | O19 | H2 | 122.7° | 122.6° |
| C23 | C24 | C25 | H6 | 80.4° | 94.9° |
| C24 | C23 | C22 | H24 | 141.0° | 95.1° |
| C23 | C24 | O17 | H27 | 68.3° | 65.4° |
| C24 | C23 | O19 | H28 | 65.3° | 63.3° |
| C12 | C20 | O18 | H1 | 123.0° | 122.5° |
| C20 | C12 | O11 | C14 | 18.9° | 26.5° |
| C20 | C12 | O11 | H13 | 117.6° | 119.4° |
| C12 | C20 | O18 | P3 | 65.3° | 119.9° |
| C12 | C20 | C13 | H11 | 70.5° | 97.3° |
| C20 | C12 | C11 | H17 | 167.0° | 55.0° |
| C20 | C12 | C11 | H18 | 71.0° | 65.0° |
| O18 | C20 | C12 | O11 | 80.6° | 120.7° |
| C20 | O18 | P3 | O15 | 48.8° | 175.0° |
| C20 | O18 | P3 | O13 | 162.4° | 55.0° |
| C20 | O18 | P3 | O14 | 67.1° | 65.0° |
| O18 | C20 | C13 | H11 | 171.6° | 143.9° |
| O18 | C20 | C12 | H13 | 37.8° | 1.4° |
| C17 | C16 | C19 | N10 | 0.2° | 0.3° |
| C16 | C17 | N9 | C18 | 0.3° | 0.0° |
| C16 | C17 | N8 | H14 | 179.9° | 179.9° |
| C16 | C17 | N8 | H15 | 59.9° | 0.0° |
| C19 | C16 | C17 | N9 | 0.0° | 0.3° |
| C16 | C19 | N10 | C18 | 0.1° | 0.0° |
| O11 | C14 | C13 | H11 | 80.5° | 81.2° |
| C14 | O11 | C12 | H13 | 136.6° | 92.9° |
| O11 | C12 | C20 | H1 | 155.8° | 116.8° |
| C12 | O11 | C14 | H12 | 107.2° | 78.5° |
| O11 | C12 | C11 | H17 | 77.3° | 172.8° |
| O11 | C12 | C11 | H18 | 44.7° | 52.9° |
| C17 | N9 | C18 | N10 | 0.4° | 0.2° |
| C17 | N9 | C18 | H9 | 179.6° | 180.0° |
| N9 | C17 | N8 | H14 | 0.0° | 0.0° |
| N9 | C17 | N8 | H15 | 120.0° | 180.0° |
| C19 | N10 | C18 | N9 | 0.2° | 0.2° |
| C19 | N10 | C18 | H9 | 179.8° | 180.0° |
| O19 | C23 | C24 | H8 | 160.9° | 122.7° |
| O19 | C23 | C22 | H24 | 22.9° | 23.6° |
| O18 | P3 | O15 | O13 | 114.8° | 120.0° |
| O18 | P3 | O15 | O14 | 117.9° | 120.0° |
| O18 | P3 | O13 | O14 | 125.2° | 120.0° |
| P3 | O18 | C20 | H1 | 57.7° | 2.6° |
| O18 | P3 | O14 | H23 | 124.2° | 60.1° |
| O15 | P3 | O13 | O14 | 119.7° | 120.0° |
| P3 | O15 | C21 | H4 | 141.7° | 60.1° |
| P3 | O15 | C21 | H5 | 22.9° | 60.0° |
| O15 | P3 | O14 | H23 | 119.1° | 59.9° |
| N9 | C18 | N10 | H9 | 180.0° | 179.7° |
| O13 | P3 | O14 | H23 | 0.0° | 179.9° |
| H1 | C20 | C13 | H11 | 45.6° | 21.4° |
| H1 | C20 | C12 | H13 | 85.8° | 123.8° |
| H2 | C23 | C24 | H8 | 37.9° | 0.1° |
| H2 | C23 | C22 | H24 | 100.4° | 146.2° |
| H2 | C23 | O19 | H28 | 57.5° | 59.3° |
| H4 | C21 | C22 | H24 | 158.2° | 172.8° |
| H5 | C21 | C22 | H24 | 39.4° | 67.2° |
| H6 | C25 | C24 | H8 | 162.3° | 146.4° |
| H8 | C24 | O17 | H27 | 55.3° | 57.3° |
| H11 | C13 | C14 | H12 | 161.7° | 160.2° |
| H11 | C13 | O12 | H16 | 55.3° | 56.4° |
| H13 | C12 | C11 | H17 | 45.1° | 66.1° |
| H13 | C12 | C11 | H18 | 167.1° | 173.9° |
