PRD_002392
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.45Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.35Å | |
| C5 | O2 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.44Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.21Å | |
| C11 | C12 | sing | 1.53Å | 1.60Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.60Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| O4 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | N3 | sing | 1.34Å | 1.38Å | |
| C20 | C17 | sing | 1.51Å | 1.54Å | |
| N3 | C19 | sing | 1.47Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.55Å | 1.56Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| N2 | C15 | sing | 1.47Å | 1.44Å | |
| C15 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | O5 | sing | 1.43Å | 1.47Å | |
| C21 | C22 | sing | 1.51Å | 1.57Å | |
| O6 | C22 | doub | 1.21Å | 1.23Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å | |
| N4 | C23 | sing | 1.46Å | 1.46Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.49Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | N1 | sing | 1.35Å | 1.27Å | |
| C10 | N2 | sing | 1.35Å | 1.32Å | |
| C22 | N4 | sing | 1.35Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.6° | 109.5° |
| C1 | O1 | C5 | 118.6° | 117.0° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | C8 | 121.8° | 120.0° |
| C1 | C2 | C6 | 119.6° | 120.0° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C8 | C2 | C6 | 118.6° | 120.0° |
| C2 | C8 | C4 | 121.5° | 120.0° |
| C2 | C8 | H7 | 119.2° | 120.0° |
| C2 | C6 | C3 | 121.0° | 120.0° |
| C2 | C6 | H5 | 119.5° | 120.0° |
| C7 | C3 | C6 | 118.7° | 120.0° |
| C3 | C7 | C4 | 119.8° | 120.0° |
| C7 | C3 | H3 | 120.6° | 120.0° |
| C3 | C7 | H6 | 120.1° | 120.0° |
| C6 | C3 | H3 | 120.7° | 120.1° |
| C3 | C6 | H5 | 119.5° | 120.0° |
| C8 | C4 | C7 | 120.3° | 120.0° |
| C8 | C4 | H4 | 119.9° | 120.0° |
| C4 | C8 | H7 | 119.2° | 120.0° |
| C7 | C4 | H4 | 119.8° | 120.0° |
| C4 | C7 | H6 | 120.1° | 120.0° |
| O1 | C5 | O2 | 121.7° | 120.0° |
| O1 | C5 | N1 | 113.2° | 120.0° |
| O2 | C5 | N1 | 125.1° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| C9 | N1 | H8 | 119.3° | 120.0° |
| N1 | C9 | C10 | 111.1° | 109.5° |
| N1 | C9 | C11 | 110.4° | 109.5° |
| N1 | C9 | H9 | 109.8° | 109.5° |
| C9 | N1 | C5 | 121.5° | 120.0° |
| H8 | N1 | C5 | 119.3° | 120.0° |
| C10 | C9 | C11 | 107.7° | 109.4° |
| C10 | C9 | H9 | 108.9° | 109.5° |
| C9 | C10 | O3 | 121.9° | 120.0° |
| C9 | C10 | N2 | 116.8° | 120.0° |
| C11 | C9 | H9 | 108.8° | 109.4° |
| C9 | C11 | C12 | 114.1° | 109.5° |
| C9 | C11 | H10 | 108.3° | 109.4° |
| C9 | C11 | H11 | 108.3° | 109.4° |
| O3 | C10 | N2 | 121.2° | 120.0° |
| C12 | C11 | H10 | 108.3° | 109.5° |
| C12 | C11 | H11 | 108.3° | 109.5° |
| C11 | C12 | C13 | 110.3° | 109.5° |
| C11 | C12 | C14 | 111.8° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| C13 | C12 | C14 | 109.2° | 109.5° |
| C13 | C12 | H12 | 108.3° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.4° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C14 | C12 | H12 | 109.0° | 109.4° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H16 | C14 | H18 | 109.4° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| O4 | C20 | N3 | 118.8° | 124.9° |
| O4 | C20 | C17 | 129.9° | 125.0° |
| N3 | C20 | C17 | 111.3° | 110.1° |
| C20 | N3 | C19 | 111.5° | 111.3° |
| C20 | N3 | H28 | 124.2° | 124.4° |
| C20 | C17 | C16 | 113.1° | 110.5° |
| C20 | C17 | C18 | 100.9° | 104.2° |
| C20 | C17 | H23 | 109.6° | 110.6° |
| N3 | C19 | C18 | 105.7° | 105.4° |
| N3 | C19 | H26 | 110.4° | 110.2° |
| N3 | C19 | H27 | 110.4° | 110.3° |
| C19 | N3 | H28 | 124.2° | 124.3° |
| C16 | C17 | C18 | 113.4° | 110.5° |
| C17 | C16 | C15 | 113.4° | 109.5° |
| C17 | C16 | H21 | 108.5° | 109.4° |
| C17 | C16 | H22 | 108.5° | 109.4° |
| C16 | C17 | H23 | 110.1° | 110.4° |
| C17 | C18 | C19 | 105.4° | 101.8° |
| C18 | C17 | H23 | 109.3° | 110.5° |
| C17 | C18 | H24 | 110.5° | 111.0° |
| C17 | C18 | H25 | 110.5° | 111.0° |
| C19 | C18 | H24 | 110.5° | 111.0° |
| C19 | C18 | H25 | 110.5° | 111.0° |
| C18 | C19 | H26 | 110.4° | 110.2° |
| C18 | C19 | H27 | 110.4° | 110.3° |
| C16 | C15 | N2 | 110.8° | 109.5° |
| C16 | C15 | C21 | 111.2° | 109.5° |
| C16 | C15 | H20 | 109.2° | 109.5° |
| C15 | C16 | H21 | 108.5° | 109.6° |
| C15 | C16 | H22 | 108.5° | 109.5° |
| N2 | C15 | C21 | 106.0° | 109.5° |
| C15 | N2 | H19 | 118.7° | 120.1° |
| N2 | C15 | H20 | 110.4° | 109.4° |
| C15 | N2 | C10 | 122.7° | 120.0° |
| C15 | C21 | O5 | 104.9° | 109.4° |
| C15 | C21 | C22 | 108.2° | 109.5° |
| C21 | C15 | H20 | 109.2° | 109.5° |
| C15 | C21 | H29 | 112.7° | 109.5° |
| O5 | C21 | C22 | 104.4° | 109.5° |
| O5 | C21 | H29 | 113.8° | 109.5° |
| C21 | O5 | H30 | 109.5° | 114.0° |
| C21 | C22 | O6 | 120.9° | 120.0° |
| C22 | C21 | H29 | 112.2° | 109.5° |
| C21 | C22 | N4 | 116.8° | 120.0° |
| O6 | C22 | N4 | 122.3° | 120.0° |
| H19 | N2 | C10 | 118.7° | 119.9° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 110.9° |
| H26 | C19 | H27 | 109.5° | 110.3° |
| N4 | C23 | C25 | 121.5° | 117.4° |
| N4 | C23 | C24 | 121.0° | 117.5° |
| C23 | N4 | H31 | 119.2° | 120.1° |
| N4 | C23 | H32 | 115.8° | 115.6° |
| C23 | N4 | C22 | 121.7° | 120.0° |
| C25 | C23 | C24 | 57.3° | 60.0° |
| C23 | C25 | C24 | 62.3° | 60.0° |
| C25 | C23 | H32 | 114.5° | 117.5° |
| C23 | C25 | H35 | 119.6° | 117.5° |
| C23 | C25 | H36 | 119.6° | 117.5° |
| C23 | C24 | C25 | 60.5° | 60.0° |
| C24 | C23 | H32 | 114.1° | 117.5° |
| C23 | C24 | H33 | 119.9° | 117.5° |
| C23 | C24 | H34 | 119.9° | 117.5° |
| C25 | C24 | H33 | 119.9° | 117.5° |
| C25 | C24 | H34 | 119.9° | 117.5° |
| C24 | C25 | H35 | 119.6° | 117.5° |
| C24 | C25 | H36 | 119.6° | 117.5° |
| H31 | N4 | C22 | 119.1° | 119.9° |
| H33 | C24 | H34 | 109.5° | 115.5° |
| H35 | C25 | H36 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | C8 | 157.6° | 90.0° |
| O1 | C1 | C2 | C6 | 20.9° | 89.8° |
| C1 | O1 | C5 | O2 | 8.6° | 0.0° |
| O1 | C1 | H1 | H2 | 119.9° | 120.0° |
| C1 | O1 | C5 | N1 | 173.4° | 180.0° |
| C1 | C2 | C8 | C6 | 178.5° | 179.8° |
| C1 | C2 | C6 | C3 | 178.4° | 180.0° |
| C1 | C2 | C8 | C4 | 179.2° | 180.0° |
| C2 | C1 | O1 | C5 | 169.1° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | C6 | H5 | 1.6° | 0.0° |
| C1 | C2 | C8 | H7 | 0.8° | 0.0° |
| C8 | C2 | C6 | C3 | 0.1° | 0.2° |
| C2 | C8 | C4 | H7 | 180.0° | 180.0° |
| C2 | C8 | C4 | C7 | 1.0° | 0.0° |
| C8 | C2 | C1 | H1 | 82.4° | 150.0° |
| C8 | C2 | C1 | H2 | 37.6° | 30.0° |
| C2 | C8 | C4 | H4 | 178.9° | 180.0° |
| C8 | C2 | C6 | H5 | 179.9° | 179.7° |
| C2 | C6 | C3 | C7 | 0.6° | 0.0° |
| C2 | C6 | C3 | H5 | 180.0° | 180.0° |
| C6 | C2 | C8 | C4 | 0.7° | 0.2° |
| C6 | C2 | C1 | H1 | 99.2° | 30.3° |
| C6 | C2 | C1 | H2 | 140.9° | 150.2° |
| C2 | C6 | C3 | H3 | 179.4° | 179.8° |
| C6 | C2 | C8 | H7 | 179.3° | 179.7° |
| C7 | C3 | C6 | H3 | 180.0° | 179.7° |
| C3 | C7 | C4 | C8 | 0.5° | 0.2° |
| C3 | C7 | C4 | H6 | 180.0° | 179.8° |
| C3 | C7 | C4 | H4 | 179.4° | 179.7° |
| C7 | C3 | C6 | H5 | 179.4° | 180.0° |
| C6 | C3 | C7 | C4 | 0.2° | 0.3° |
| C6 | C3 | C7 | H6 | 179.7° | 180.0° |
| C8 | C4 | C7 | H4 | 180.0° | 180.0° |
| C8 | C4 | C7 | H6 | 179.5° | 180.0° |
| C4 | C7 | C3 | H3 | 179.8° | 180.0° |
| C7 | C4 | C8 | H7 | 178.9° | 180.0° |
| O1 | C5 | O2 | N1 | 177.8° | 179.9° |
| C5 | O1 | C1 | H1 | 70.9° | 60.0° |
| C5 | O1 | C1 | H2 | 49.1° | 60.0° |
| O1 | C5 | N1 | C9 | 174.7° | 179.9° |
| O1 | C5 | N1 | H8 | 5.3° | 0.1° |
| O2 | C5 | N1 | C9 | 7.3° | 0.0° |
| O2 | C5 | N1 | H8 | 172.7° | 180.0° |
| H3 | C3 | C6 | H5 | 0.6° | 0.3° |
| H3 | C3 | C7 | H6 | 0.3° | 0.2° |
| H4 | C4 | C7 | H6 | 0.5° | 0.0° |
| H4 | C4 | C8 | H7 | 1.1° | 0.0° |
| C9 | N1 | H8 | C5 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 121.0° | 120.0° |
| N1 | C9 | C10 | H9 | 121.1° | 120.1° |
| N1 | C9 | C11 | H9 | 120.6° | 120.0° |
| N1 | C9 | C10 | O3 | 39.0° | 0.1° |
| N1 | C9 | C11 | C12 | 70.0° | 65.0° |
| N1 | C9 | C11 | H10 | 50.6° | 55.0° |
| N1 | C9 | C11 | H11 | 169.3° | 174.9° |
| N1 | C9 | C10 | N2 | 140.5° | 180.0° |
| H8 | N1 | C9 | C10 | 101.1° | 24.9° |
| H8 | N1 | C9 | C11 | 18.3° | 95.0° |
| H8 | N1 | C9 | H9 | 138.3° | 145.0° |
| C10 | C9 | C11 | H9 | 117.9° | 120.0° |
| C9 | C10 | O3 | N2 | 179.5° | 179.9° |
| C10 | C9 | C11 | C12 | 168.5° | 175.0° |
| C10 | C9 | C11 | H10 | 70.9° | 65.0° |
| C10 | C9 | C11 | H11 | 47.8° | 55.0° |
| C9 | C10 | N2 | C15 | 170.4° | 175.1° |
| C9 | C10 | N2 | H19 | 9.6° | 4.9° |
| C10 | C9 | N1 | C5 | 78.9° | 155.1° |
| C11 | C9 | C10 | O3 | 82.0° | 120.0° |
| C9 | C11 | C12 | H10 | 120.7° | 120.0° |
| C9 | C11 | C12 | H11 | 120.7° | 120.0° |
| C9 | C11 | H10 | H11 | 117.9° | 119.9° |
| C9 | C11 | C12 | C13 | 165.4° | 175.0° |
| C9 | C11 | C12 | C14 | 72.8° | 65.0° |
| C9 | C11 | C12 | H12 | 47.2° | 55.0° |
| C11 | C9 | N1 | C5 | 161.7° | 85.0° |
| C11 | C9 | C10 | N2 | 98.5° | 60.0° |
| H9 | C9 | C10 | O3 | 160.1° | 120.0° |
| H9 | C9 | C11 | C12 | 50.5° | 55.0° |
| H9 | C9 | C11 | H10 | 171.2° | 175.0° |
| H9 | C9 | C11 | H11 | 70.2° | 65.0° |
| H9 | C9 | N1 | C5 | 41.7° | 35.0° |
| H9 | C9 | C10 | N2 | 19.4° | 59.9° |
| O3 | C10 | N2 | C15 | 10.0° | 5.0° |
| O3 | C10 | N2 | H19 | 170.0° | 175.0° |
| C12 | C11 | H10 | H11 | 117.9° | 120.1° |
| C11 | C12 | C13 | C14 | 123.3° | 120.0° |
| C11 | C12 | C13 | H12 | 118.2° | 120.1° |
| C11 | C12 | C14 | H12 | 119.6° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 59.9° |
| C11 | C12 | C13 | H14 | 60.0° | 180.0° |
| C11 | C12 | C13 | H15 | 60.0° | 59.9° |
| C11 | C12 | C14 | H16 | 180.0° | 60.0° |
| C11 | C12 | C14 | H17 | 60.0° | 60.0° |
| C11 | C12 | C14 | H18 | 60.0° | 180.0° |
| H10 | C11 | C12 | C13 | 44.8° | 55.0° |
| H10 | C11 | C12 | C14 | 166.5° | 175.0° |
| H10 | C11 | C12 | H12 | 73.5° | 65.0° |
| H11 | C11 | C12 | C13 | 73.9° | 65.0° |
| H11 | C11 | C12 | C14 | 47.8° | 55.0° |
| H11 | C11 | C12 | H12 | 167.9° | 174.9° |
| C13 | C12 | C14 | H12 | 118.1° | 119.9° |
| C12 | C13 | H13 | H14 | 120.0° | 120.1° |
| C12 | C13 | H13 | H15 | 120.0° | 119.9° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C14 | H16 | 57.7° | 60.0° |
| C13 | C12 | C14 | H17 | 62.4° | 180.0° |
| C13 | C12 | C14 | H18 | 177.7° | 59.9° |
| C14 | C12 | C13 | H13 | 56.8° | 60.1° |
| C14 | C12 | C13 | H14 | 176.8° | 60.0° |
| C14 | C12 | C13 | H15 | 63.2° | 180.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.0° |
| C12 | C14 | H16 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H18 | 120.0° | 120.1° |
| H12 | C12 | C13 | H13 | 61.8° | 180.0° |
| H12 | C12 | C13 | H14 | 58.2° | 59.9° |
| H12 | C12 | C13 | H15 | 178.2° | 60.1° |
| H12 | C12 | C14 | H16 | 60.4° | 180.0° |
| H12 | C12 | C14 | H17 | 179.5° | 60.0° |
| H12 | C12 | C14 | H18 | 59.6° | 60.0° |
| H13 | C13 | H14 | H15 | 120.0° | 119.9° |
| H16 | C14 | H17 | H18 | 120.0° | 119.9° |
| O4 | C20 | N3 | C17 | 178.6° | 180.0° |
| O4 | C20 | N3 | C19 | 177.3° | 179.6° |
| O4 | C20 | C17 | C16 | 46.4° | 45.1° |
| O4 | C20 | C17 | C18 | 167.9° | 163.8° |
| O4 | C20 | C17 | H23 | 76.9° | 77.5° |
| O4 | C20 | N3 | H28 | 2.7° | 0.4° |
| C20 | N3 | C19 | H28 | 180.0° | 180.0° |
| N3 | C20 | C17 | C16 | 132.0° | 134.9° |
| N3 | C20 | C17 | C18 | 10.5° | 16.3° |
| C20 | N3 | C19 | C18 | 17.3° | 17.0° |
| N3 | C20 | C17 | H23 | 104.7° | 102.5° |
| C20 | N3 | C19 | H26 | 102.1° | 136.0° |
| C20 | N3 | C19 | H27 | 136.7° | 102.0° |
| C17 | C20 | N3 | C19 | 4.1° | 0.4° |
| C20 | C17 | C16 | C18 | 114.2° | 114.8° |
| C20 | C17 | C16 | H23 | 123.0° | 122.7° |
| C20 | C17 | C18 | H23 | 115.5° | 118.8° |
| C20 | C17 | C18 | C19 | 19.9° | 24.8° |
| C20 | C17 | C16 | C15 | 177.1° | 71.8° |
| C20 | C17 | C16 | H21 | 62.4° | 48.3° |
| C20 | C17 | C16 | H22 | 56.5° | 168.2° |
| C20 | C17 | C18 | H24 | 99.5° | 93.3° |
| C20 | C17 | C18 | H25 | 139.2° | 142.9° |
| C17 | C20 | N3 | H28 | 175.9° | 179.6° |
| N3 | C19 | C18 | C17 | 23.3° | 25.4° |
| N3 | C19 | C18 | H26 | 119.4° | 119.0° |
| N3 | C19 | C18 | H27 | 119.4° | 119.1° |
| N3 | C19 | C18 | H24 | 96.1° | 92.7° |
| N3 | C19 | C18 | H25 | 142.6° | 143.6° |
| N3 | C19 | H26 | H27 | 121.8° | 122.1° |
| C16 | C17 | C18 | H23 | 123.2° | 122.5° |
| C16 | C17 | C18 | C19 | 141.2° | 143.5° |
| C17 | C16 | C15 | H21 | 120.6° | 120.0° |
| C17 | C16 | C15 | H22 | 120.6° | 120.0° |
| C17 | C16 | C15 | N2 | 60.8° | 176.4° |
| C17 | C16 | C15 | C21 | 178.4° | 63.5° |
| C17 | C16 | C15 | H20 | 61.0° | 56.5° |
| C17 | C16 | H21 | H22 | 118.2° | 119.9° |
| C16 | C17 | C18 | H24 | 21.8° | 25.4° |
| C16 | C17 | C18 | H25 | 99.5° | 98.4° |
| C17 | C18 | C19 | H24 | 119.3° | 118.1° |
| C17 | C18 | C19 | H25 | 119.3° | 118.1° |
| C18 | C17 | C16 | C15 | 68.8° | 173.5° |
| C18 | C17 | C16 | H21 | 51.8° | 66.5° |
| C18 | C17 | C16 | H22 | 170.7° | 53.5° |
| C17 | C18 | H24 | H25 | 121.9° | 123.8° |
| C17 | C18 | C19 | H26 | 96.1° | 144.4° |
| C17 | C18 | C19 | H27 | 142.7° | 93.7° |
| C19 | C18 | C17 | H23 | 95.6° | 94.0° |
| C19 | C18 | H24 | H25 | 121.9° | 123.8° |
| C18 | C19 | H26 | H27 | 121.8° | 122.0° |
| C18 | C19 | N3 | H28 | 162.7° | 163.0° |
| C16 | C15 | N2 | C21 | 120.8° | 120.0° |
| C16 | C15 | N2 | H20 | 121.1° | 120.0° |
| C16 | C15 | C21 | H20 | 120.6° | 120.0° |
| C16 | C15 | C21 | O5 | 170.3° | 60.0° |
| C16 | C15 | C21 | C22 | 78.8° | 180.0° |
| C16 | C15 | N2 | H19 | 54.3° | 90.9° |
| C15 | C16 | H21 | H22 | 118.2° | 120.1° |
| C15 | C16 | C17 | H23 | 54.0° | 50.9° |
| C16 | C15 | C21 | H29 | 45.9° | 60.0° |
| C16 | C15 | N2 | C10 | 125.7° | 89.1° |
| N2 | C15 | C21 | H20 | 118.9° | 120.0° |
| N2 | C15 | C21 | O5 | 49.8° | 60.0° |
| N2 | C15 | C21 | C22 | 160.8° | 60.0° |
| C15 | N2 | H19 | C10 | 180.0° | 180.0° |
| N2 | C15 | C16 | H21 | 178.6° | 56.4° |
| N2 | C15 | C16 | H22 | 59.8° | 63.6° |
| N2 | C15 | C21 | H29 | 74.5° | 180.0° |
| C15 | C21 | O5 | C22 | 113.7° | 120.0° |
| C15 | C21 | O5 | H29 | 123.7° | 120.0° |
| C15 | C21 | C22 | H29 | 125.0° | 120.0° |
| C15 | C21 | C22 | O6 | 70.7° | 115.0° |
| C21 | C15 | N2 | H19 | 66.5° | 29.1° |
| C21 | C15 | C16 | H21 | 61.0° | 176.5° |
| C21 | C15 | C16 | H22 | 57.9° | 56.4° |
| C15 | C21 | O5 | H30 | 180.0° | 60.0° |
| C21 | C15 | N2 | C10 | 113.5° | 150.8° |
| C15 | C21 | C22 | N4 | 110.1° | 65.1° |
| O5 | C21 | C22 | H29 | 123.7° | 120.0° |
| O5 | C21 | C22 | O6 | 178.0° | 4.9° |
| O5 | C21 | C15 | H20 | 69.1° | 180.0° |
| O5 | C21 | C22 | N4 | 1.2° | 175.0° |
| C21 | C22 | O6 | N4 | 179.1° | 179.9° |
| C22 | C21 | C15 | H20 | 41.8° | 60.0° |
| C22 | C21 | O5 | H30 | 66.3° | 60.0° |
| C21 | C22 | N4 | C23 | 178.0° | 180.0° |
| C21 | C22 | N4 | H31 | 2.0° | 0.1° |
| O6 | C22 | C21 | H29 | 54.3° | 125.0° |
| O6 | C22 | N4 | C23 | 1.1° | 0.1° |
| O6 | C22 | N4 | H31 | 178.8° | 180.0° |
| H19 | N2 | C15 | H20 | 175.4° | 149.1° |
| H20 | C15 | C16 | H21 | 59.5° | 63.5° |
| H20 | C15 | C16 | H22 | 178.4° | 176.5° |
| H20 | C15 | C21 | H29 | 166.5° | 60.1° |
| H20 | C15 | N2 | C10 | 4.6° | 30.8° |
| H21 | C16 | C17 | H23 | 174.6° | 171.0° |
| H22 | C16 | C17 | H23 | 66.5° | 69.1° |
| H23 | C17 | C18 | H24 | 145.1° | 147.9° |
| H23 | C17 | C18 | H25 | 23.8° | 24.1° |
| H24 | C18 | C19 | H26 | 144.5° | 26.2° |
| H24 | C18 | C19 | H27 | 23.3° | 148.2° |
| H25 | C18 | C19 | H26 | 23.2° | 97.5° |
| H25 | C18 | C19 | H27 | 98.0° | 24.5° |
| H26 | C19 | N3 | H28 | 77.9° | 44.1° |
| H27 | C19 | N3 | H28 | 43.3° | 78.0° |
| H29 | C21 | O5 | H30 | 56.4° | 180.0° |
| H29 | C21 | C22 | N4 | 124.9° | 55.0° |
| N4 | C23 | C25 | C24 | 108.9° | 107.5° |
| N4 | C23 | C25 | H32 | 147.2° | 145.0° |
| N4 | C23 | C24 | H32 | 145.6° | 145.1° |
| C23 | N4 | H31 | C22 | 180.0° | 179.9° |
| N4 | C23 | C24 | H33 | 140.7° | 145.0° |
| N4 | C23 | C24 | H34 | 0.2° | 0.1° |
| N4 | C23 | C25 | H35 | 1.2° | 0.0° |
| N4 | C23 | C25 | H36 | 141.0° | 145.0° |
| C25 | C23 | C24 | H32 | 104.6° | 107.5° |
| C23 | C25 | C24 | H35 | 110.1° | 107.5° |
| C23 | C25 | C24 | H36 | 110.1° | 107.5° |
| C25 | C23 | N4 | H31 | 85.8° | 25.0° |
| C25 | C23 | C24 | H33 | 109.6° | 107.5° |
| C25 | C23 | C24 | H34 | 109.6° | 107.5° |
| C23 | C25 | H35 | H36 | 143.5° | 145.7° |
| C25 | C23 | N4 | C22 | 94.2° | 155.0° |
| C24 | C23 | N4 | H31 | 17.6° | 43.6° |
| C23 | C24 | H33 | H34 | 144.5° | 145.7° |
| C24 | C23 | N4 | C22 | 162.4° | 136.4° |
| C25 | C24 | H33 | H34 | 144.5° | 145.7° |
| C24 | C25 | H35 | H36 | 143.5° | 145.7° |
| H31 | N4 | C23 | H32 | 127.4° | 170.7° |
| H32 | C23 | C24 | H33 | 4.9° | 0.1° |
| H32 | C23 | C24 | H34 | 145.8° | 145.0° |
| H32 | C23 | C25 | H35 | 146.0° | 145.0° |
| H32 | C23 | C25 | H36 | 6.2° | 0.0° |
| H32 | C23 | N4 | C22 | 52.6° | 9.4° |
| H33 | C24 | C25 | H35 | 140.4° | 145.0° |
| H33 | C24 | C25 | H36 | 0.5° | 0.0° |
| H34 | C24 | C25 | H35 | 0.5° | 0.0° |
| H34 | C24 | C25 | H36 | 140.3° | 145.0° |
