OYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.72Å | |
| C15 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | P1 | doub | 1.48Å | 1.61Å | |
| O3 | P1 | sing | 1.61Å | 1.48Å | |
| C14 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | P1 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.63Å | |
| O10 | P2 | doub | 1.48Å | 1.48Å | |
| C12 | C11 | sing | 1.51Å | 1.39Å | |
| O5 | C6 | sing | 1.44Å | 1.43Å | |
| O5 | C9 | sing | 1.44Å | 1.42Å | |
| C6 | N5 | sing | 1.46Å | 1.48Å | |
| C6 | C7 | sing | 1.55Å | 1.54Å | |
| O14 | P3 | doub | 1.48Å | 1.49Å | |
| N5 | C1 | sing | 1.36Å | 1.33Å | Aromatic |
| N5 | C5 | sing | 1.37Å | 1.32Å | Aromatic |
| C1 | N1 | doub | 1.30Å | 1.33Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C5 | N2 | sing | 1.34Å | 1.34Å | |
| C5 | C4 | doub | 1.40Å | 1.33Å | Aromatic |
| N1 | C11 | sing | 1.46Å | 1.49Å | |
| N1 | C4 | sing | 1.36Å | 1.34Å | Aromatic |
| N2 | C2 | doub | 1.31Å | 1.34Å | |
| C10 | O9 | sing | 1.43Å | 1.43Å | |
| P2 | O9 | sing | 1.61Å | 1.62Å | |
| P2 | O11 | sing | 1.61Å | 1.49Å | |
| P2 | O12 | sing | 1.61Å | 1.62Å | |
| O4 | P3 | sing | 1.61Å | 1.62Å | |
| O7 | C7 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.42Å | 1.34Å | |
| C2 | N3 | sing | 1.37Å | 1.33Å | |
| C2 | N4 | sing | 1.36Å | 1.34Å | |
| C3 | N4 | sing | 1.35Å | 1.34Å | |
| C3 | O6 | doub | 1.22Å | 1.36Å | |
| P3 | O12 | sing | 1.61Å | 1.64Å | |
| P3 | O13 | sing | 1.61Å | 1.48Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| C8 | O8 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| O8 | H20 | sing | 0.97Å | 0.95Å | |
| O11 | H21 | sing | 0.97Å | 0.95Å | |
| O13 | H22 | sing | 0.97Å | 0.95Å | |
| O15 | C18 | sing | 1.44Å | 0.00Å | |
| C18 | C19 | sing | 1.55Å | 0.00Å | |
| C19 | C20 | sing | 1.55Å | 0.00Å | |
| C20 | C21 | sing | 1.54Å | 0.00Å | |
| C21 | O15 | sing | 1.44Å | 0.00Å | |
| C22 | O3 | sing | 1.43Å | 98.15Å | |
| O16 | C20 | sing | 1.43Å | 0.00Å | |
| O17 | C19 | sing | 1.43Å | 0.00Å | |
| C21 | C22 | sing | 1.53Å | 0.00Å | |
| C18 | H23 | sing | 1.09Å | 0.00Å | |
| C19 | H24 | sing | 1.09Å | 0.00Å | |
| C20 | H25 | sing | 1.09Å | 0.00Å | |
| C21 | H26 | sing | 1.09Å | 0.00Å | |
| C22 | H27 | sing | 1.09Å | 0.00Å | |
| C22 | H28 | sing | 1.09Å | 0.00Å | |
| O16 | H29 | sing | 0.97Å | 0.00Å | |
| O17 | H30 | sing | 0.97Å | 0.00Å | |
| N6 | C18 | sing | 1.46Å | 0.00Å | |
| N7 | C23 | sing | 1.36Å | 0.00Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 0.00Å | Aromatic |
| C24 | N6 | sing | 1.37Å | 0.00Å | Aromatic |
| N6 | C25 | sing | 1.36Å | 0.00Å | Aromatic |
| C25 | N7 | doub | 1.30Å | 0.00Å | Aromatic |
| N8 | C26 | sing | 1.35Å | 0.00Å | |
| C27 | N9 | doub | 1.31Å | 0.00Å | |
| N9 | C24 | sing | 1.34Å | 0.00Å | |
| C23 | C26 | sing | 1.41Å | 0.00Å | |
| N8 | C27 | sing | 1.36Å | 0.00Å | |
| N10 | C27 | sing | 1.37Å | 0.00Å | |
| C25 | H18 | sing | 1.08Å | 0.00Å | |
| N8 | H31 | sing | 0.97Å | 0.00Å | |
| N10 | H34 | sing | 0.97Å | 0.00Å | |
| N10 | H35 | sing | 0.97Å | 0.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| C26 | O18 | doub | 1.22Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C13 | 120.2° | 120.0° |
| CL1 | C15 | C17 | 119.8° | 120.0° |
| C13 | C15 | C17 | 120.0° | 120.0° |
| C15 | C13 | C14 | 119.9° | 120.0° |
| C15 | C13 | H10 | 120.1° | 120.0° |
| C15 | C17 | C16 | 120.2° | 120.0° |
| C15 | C17 | H13 | 119.9° | 120.1° |
| C13 | C14 | C12 | 120.0° | 120.0° |
| C14 | C13 | H10 | 120.0° | 120.0° |
| C13 | C14 | H11 | 120.0° | 120.0° |
| C17 | C16 | C12 | 119.9° | 120.0° |
| C17 | C16 | H12 | 120.1° | 120.0° |
| C16 | C17 | H13 | 119.9° | 120.0° |
| O1 | P1 | O3 | 110.4° | 109.4° |
| O1 | P1 | O2 | 110.4° | 109.5° |
| O1 | P1 | O4 | 103.9° | 109.5° |
| O3 | P1 | O2 | 110.5° | 109.5° |
| O3 | P1 | O4 | 114.0° | 109.5° |
| P1 | O3 | C22 | 146.4° | 123.0° |
| C14 | C12 | C16 | 120.0° | 120.0° |
| C14 | C12 | C11 | 120.0° | 120.0° |
| C12 | C14 | H11 | 120.0° | 120.0° |
| C16 | C12 | C11 | 119.9° | 120.0° |
| C12 | C16 | H12 | 120.1° | 120.0° |
| O2 | P1 | O4 | 107.4° | 109.5° |
| P1 | O2 | H17 | 109.5° | 114.0° |
| P1 | O4 | P3 | 120.3° | 134.0° |
| O10 | P2 | O9 | 110.7° | 109.4° |
| O10 | P2 | O11 | 110.5° | 109.5° |
| O10 | P2 | O12 | 115.5° | 109.5° |
| C12 | C11 | N1 | 109.5° | 109.5° |
| C12 | C11 | H8 | 109.5° | 109.5° |
| C12 | C11 | H9 | 109.5° | 109.5° |
| C6 | O5 | C9 | 109.8° | 107.0° |
| O5 | C6 | N5 | 108.1° | 110.6° |
| O5 | C6 | C7 | 106.3° | 103.5° |
| O5 | C6 | H2 | 110.7° | 110.8° |
| O5 | C9 | C10 | 115.7° | 109.9° |
| O5 | C9 | C8 | 99.3° | 107.3° |
| O5 | C9 | H5 | 112.3° | 110.0° |
| N5 | C6 | C7 | 112.2° | 110.6° |
| C6 | N5 | C1 | 126.8° | 126.3° |
| C6 | N5 | C5 | 124.9° | 126.2° |
| N5 | C6 | H2 | 110.1° | 110.6° |
| C6 | C7 | O7 | 109.0° | 110.9° |
| C6 | C7 | C8 | 96.7° | 102.1° |
| C7 | C6 | H2 | 109.3° | 110.6° |
| C6 | C7 | H3 | 112.4° | 110.9° |
| O14 | P3 | O4 | 111.4° | 109.5° |
| O14 | P3 | O12 | 111.4° | 109.4° |
| O14 | P3 | O13 | 111.5° | 109.5° |
| C1 | N5 | C5 | 108.3° | 107.5° |
| N5 | C1 | N1 | 108.0° | 109.9° |
| N5 | C1 | H1 | 126.0° | 125.1° |
| N5 | C5 | N2 | 130.9° | 134.2° |
| N5 | C5 | C4 | 108.2° | 106.1° |
| C1 | N1 | C11 | 121.1° | 125.4° |
| C1 | N1 | C4 | 108.0° | 109.3° |
| N1 | C1 | H1 | 126.0° | 125.1° |
| C10 | C9 | C8 | 107.7° | 109.9° |
| C9 | C10 | O9 | 109.4° | 109.5° |
| C10 | C9 | H5 | 110.6° | 109.9° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C9 | C8 | C7 | 100.6° | 104.2° |
| C9 | C8 | O8 | 111.8° | 110.5° |
| C9 | C8 | H4 | 110.5° | 110.6° |
| C8 | C9 | H5 | 110.5° | 109.8° |
| N2 | C5 | C4 | 120.8° | 119.7° |
| C5 | N2 | C2 | 120.2° | 121.1° |
| C5 | C4 | N1 | 107.5° | 107.3° |
| C5 | C4 | C3 | 118.5° | 118.6° |
| C11 | N1 | C4 | 131.0° | 125.3° |
| N1 | C11 | H8 | 109.5° | 109.5° |
| N1 | C11 | H9 | 109.5° | 109.4° |
| N1 | C4 | C3 | 134.0° | 134.1° |
| N2 | C2 | N3 | 120.1° | 119.0° |
| N2 | C2 | N4 | 119.5° | 121.9° |
| C10 | O9 | P2 | 120.1° | 123.0° |
| O9 | C10 | H6 | 109.5° | 109.5° |
| O9 | C10 | H7 | 109.5° | 109.4° |
| O9 | P2 | O11 | 103.9° | 109.5° |
| O9 | P2 | O12 | 107.8° | 109.5° |
| O11 | P2 | O12 | 107.8° | 109.5° |
| P2 | O11 | H21 | 109.5° | 114.0° |
| P2 | O12 | P3 | 120.4° | 134.0° |
| O4 | P3 | O12 | 105.2° | 109.5° |
| O4 | P3 | O13 | 111.8° | 109.5° |
| O7 | C7 | C8 | 110.6° | 110.9° |
| O7 | C7 | H3 | 114.1° | 110.8° |
| C7 | O7 | H19 | 109.5° | 114.0° |
| C4 | C3 | N4 | 121.3° | 118.4° |
| C4 | C3 | O6 | 117.8° | 120.8° |
| N3 | C2 | N4 | 120.4° | 119.0° |
| C2 | N3 | H14 | 120.0° | 120.0° |
| C2 | N3 | H15 | 120.0° | 119.9° |
| C2 | N4 | C3 | 119.6° | 120.3° |
| C2 | N4 | H16 | 120.2° | 119.9° |
| N4 | C3 | O6 | 120.9° | 120.9° |
| C3 | N4 | H16 | 120.2° | 119.8° |
| O12 | P3 | O13 | 105.2° | 109.5° |
| P3 | O13 | H22 | 109.5° | 114.0° |
| C7 | C8 | O8 | 110.5° | 110.5° |
| C8 | C7 | H3 | 112.7° | 110.9° |
| C7 | C8 | H4 | 110.8° | 110.5° |
| O8 | C8 | H4 | 112.1° | 110.4° |
| C8 | O8 | H20 | 109.5° | 114.0° |
| H6 | C10 | H7 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H14 | N3 | H15 | 120.0° | 120.1° |
| O15 | C18 | C19 | 90.0° | 103.5° |
| C18 | O15 | C21 | 90.0° | 107.0° |
| O15 | C18 | H23 | 90.0° | 110.6° |
| O15 | C18 | N6 | 90.0° | 110.7° |
| C18 | C19 | C20 | 90.0° | 102.1° |
| C18 | C19 | O17 | 90.0° | 110.9° |
| C19 | C18 | H23 | 90.0° | 110.6° |
| C18 | C19 | H24 | 90.0° | 110.9° |
| C19 | C18 | N6 | 90.0° | 110.6° |
| C19 | C20 | C21 | 90.0° | 104.2° |
| C19 | C20 | O16 | 90.0° | 110.5° |
| C20 | C19 | O17 | 90.0° | 110.9° |
| C20 | C19 | H24 | 90.0° | 110.9° |
| C19 | C20 | H25 | 90.0° | 110.5° |
| C20 | C21 | O15 | 90.0° | 107.3° |
| C21 | C20 | O16 | 90.0° | 110.4° |
| C20 | C21 | C22 | 90.0° | 109.8° |
| C21 | C20 | H25 | 90.0° | 110.5° |
| C20 | C21 | H26 | 90.0° | 109.9° |
| O15 | C21 | C22 | 90.0° | 109.9° |
| O15 | C21 | H26 | 90.0° | 109.9° |
| O3 | C22 | C21 | 90.0° | 109.4° |
| O3 | C22 | H27 | 90.0° | 109.5° |
| O3 | C22 | H28 | 90.0° | 109.5° |
| O16 | C20 | H25 | 90.0° | 110.5° |
| C20 | O16 | H29 | 90.0° | 113.9° |
| O17 | C19 | H24 | 90.0° | 110.8° |
| C19 | O17 | H30 | 90.0° | 114.0° |
| C22 | C21 | H26 | 90.0° | 110.0° |
| C21 | C22 | H27 | 90.0° | 109.4° |
| C21 | C22 | H28 | 90.0° | 109.5° |
| H23 | C18 | N6 | 90.0° | 110.7° |
| H27 | C22 | H28 | 90.0° | 109.5° |
| C18 | N6 | C24 | 90.0° | 126.3° |
| C18 | N6 | C25 | 90.0° | 126.3° |
| N7 | C23 | C24 | 90.0° | 107.2° |
| C23 | N7 | C25 | 90.0° | 109.4° |
| N7 | C23 | C26 | 90.0° | 134.1° |
| C23 | C24 | N6 | 90.0° | 106.1° |
| C23 | C24 | N9 | 90.0° | 119.7° |
| C24 | C23 | C26 | 90.0° | 118.6° |
| C24 | N6 | C25 | 90.0° | 107.5° |
| N6 | C24 | N9 | 90.0° | 134.2° |
| N6 | C25 | N7 | 90.0° | 109.8° |
| N6 | C25 | H18 | 90.0° | 125.1° |
| N7 | C25 | H18 | 90.0° | 125.1° |
| N8 | C26 | C23 | 90.0° | 118.3° |
| C26 | N8 | C27 | 90.0° | 120.3° |
| C26 | N8 | H31 | 90.0° | 119.9° |
| N8 | C26 | O18 | 90.0° | 120.7° |
| C27 | N9 | C24 | 90.0° | 121.1° |
| N9 | C27 | N8 | 90.0° | 121.9° |
| N9 | C27 | N10 | 90.0° | 119.1° |
| C23 | C26 | O18 | 90.0° | 120.9° |
| N8 | C27 | N10 | 90.0° | 119.0° |
| C27 | N8 | H31 | 90.0° | 119.8° |
| C27 | N10 | H34 | 90.0° | 120.0° |
| C27 | N10 | H35 | 90.0° | 119.9° |
| H34 | N10 | H35 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C13 | C17 | 180.0° | 179.8° |
| CL1 | C15 | C13 | C14 | 180.0° | 179.9° |
| CL1 | C15 | C17 | C16 | 180.0° | 179.9° |
| CL1 | C15 | C13 | H10 | 0.0° | 0.1° |
| CL1 | C15 | C17 | H13 | 0.0° | 0.2° |
| C15 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C15 | C17 | C16 | 0.0° | 0.3° |
| C15 | C13 | C14 | C12 | 0.1° | 0.0° |
| C15 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C15 | C17 | H13 | 180.0° | 180.0° |
| C17 | C15 | C13 | C14 | 0.0° | 0.2° |
| C15 | C17 | C16 | H13 | 180.0° | 179.8° |
| C15 | C17 | C16 | C12 | 0.1° | 0.0° |
| C17 | C15 | C13 | H10 | 180.0° | 179.7° |
| C15 | C17 | C16 | H12 | 179.9° | 180.0° |
| C13 | C14 | C12 | H11 | 180.0° | 180.0° |
| C13 | C14 | C12 | C16 | 0.1° | 0.3° |
| C13 | C14 | C12 | C11 | 179.9° | 180.0° |
| C17 | C16 | C12 | C14 | 0.1° | 0.2° |
| C17 | C16 | C12 | H12 | 180.0° | 180.0° |
| C17 | C16 | C12 | C11 | 179.9° | 180.0° |
| O1 | P1 | O3 | O2 | 122.4° | 120.0° |
| O1 | P1 | O3 | O4 | 116.5° | 120.0° |
| O1 | P1 | O2 | O4 | 112.6° | 120.0° |
| O1 | P1 | O4 | P3 | 72.1° | 40.0° |
| O1 | P1 | O2 | H17 | 0.0° | 180.0° |
| O1 | P1 | O3 | C22 | 57.3° | 55.0° |
| O3 | P1 | O2 | O4 | 124.9° | 120.0° |
| O3 | P1 | O4 | P3 | 48.1° | 160.0° |
| O3 | P1 | O2 | H17 | 122.4° | 60.1° |
| P1 | O3 | C22 | C21 | 90.0° | 180.0° |
| P1 | O3 | C22 | H27 | 90.0° | 60.1° |
| P1 | O3 | C22 | H28 | 90.0° | 60.0° |
| C14 | C12 | C16 | C11 | 180.0° | 179.8° |
| C14 | C12 | C11 | N1 | 92.1° | 89.9° |
| C14 | C12 | C11 | H8 | 147.9° | 150.0° |
| C14 | C12 | C11 | H9 | 27.9° | 30.0° |
| C12 | C14 | C13 | H10 | 179.9° | 180.0° |
| C14 | C12 | C16 | H12 | 179.9° | 179.7° |
| C16 | C12 | C11 | N1 | 87.9° | 90.3° |
| C16 | C12 | C11 | H8 | 32.0° | 29.8° |
| C16 | C12 | C11 | H9 | 152.0° | 149.7° |
| C16 | C12 | C14 | H11 | 179.9° | 179.7° |
| C12 | C16 | C17 | H13 | 180.0° | 179.8° |
| O2 | P1 | O4 | P3 | 170.9° | 80.0° |
| O2 | P1 | O3 | C22 | 179.7° | 64.9° |
| P1 | O4 | P3 | O14 | 4.0° | 40.0° |
| P1 | O4 | P3 | O12 | 124.8° | 160.0° |
| P1 | O4 | P3 | O13 | 121.6° | 80.0° |
| O4 | P1 | O2 | H17 | 112.7° | 60.0° |
| O4 | P1 | O3 | C22 | 59.2° | 175.0° |
| O10 | P2 | O9 | C10 | 50.9° | 55.0° |
| O10 | P2 | O9 | O11 | 118.7° | 119.9° |
| O10 | P2 | O9 | O12 | 127.1° | 120.0° |
| O10 | P2 | O11 | O12 | 127.0° | 120.0° |
| O10 | P2 | O12 | P3 | 17.5° | 40.0° |
| O10 | P2 | O11 | H21 | 0.0° | 179.9° |
| C12 | C11 | N1 | C1 | 78.9° | 94.9° |
| C12 | C11 | N1 | H8 | 120.0° | 120.1° |
| C12 | C11 | N1 | H9 | 120.0° | 120.0° |
| C12 | C11 | N1 | C4 | 101.4° | 85.1° |
| C12 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | C14 | H11 | 0.1° | 0.0° |
| C11 | C12 | C16 | H12 | 0.1° | 0.0° |
| O5 | C6 | N5 | C7 | 117.0° | 114.1° |
| O5 | C6 | N5 | H2 | 121.1° | 123.1° |
| O5 | C6 | C7 | H2 | 119.6° | 118.7° |
| O5 | C6 | N5 | C1 | 9.5° | 19.1° |
| O5 | C6 | N5 | C5 | 173.1° | 161.0° |
| C6 | O5 | C9 | C10 | 144.5° | 145.9° |
| C6 | O5 | C9 | C8 | 29.6° | 26.5° |
| O5 | C6 | C7 | O7 | 83.5° | 155.3° |
| O5 | C6 | C7 | C8 | 31.0° | 37.0° |
| O5 | C6 | C7 | H3 | 149.0° | 81.2° |
| C6 | O5 | C9 | H5 | 87.2° | 92.9° |
| C9 | O5 | C6 | N5 | 120.0° | 158.6° |
| C9 | O5 | C6 | C7 | 0.7° | 40.1° |
| O5 | C9 | C10 | C8 | 110.0° | 117.8° |
| O5 | C9 | C10 | H5 | 129.1° | 121.2° |
| O5 | C9 | C8 | H5 | 118.2° | 119.6° |
| O5 | C9 | C10 | O9 | 52.4° | 67.1° |
| O5 | C9 | C8 | C7 | 49.3° | 2.0° |
| O5 | C9 | C8 | O8 | 166.6° | 120.7° |
| C9 | O5 | C6 | H2 | 119.3° | 78.5° |
| O5 | C9 | C8 | H4 | 67.8° | 116.7° |
| O5 | C9 | C10 | H6 | 67.6° | 172.8° |
| O5 | C9 | C10 | H7 | 172.4° | 52.8° |
| N5 | C6 | C7 | H2 | 122.4° | 122.8° |
| C6 | N5 | C1 | C5 | 177.8° | 179.9° |
| C6 | N5 | C1 | N1 | 179.2° | 179.9° |
| C6 | N5 | C5 | N2 | 2.8° | 0.1° |
| C6 | N5 | C5 | C4 | 179.5° | 179.8° |
| N5 | C6 | C7 | O7 | 158.5° | 86.3° |
| N5 | C6 | C7 | C8 | 87.0° | 155.5° |
| C6 | N5 | C1 | H1 | 0.8° | 0.2° |
| N5 | C6 | C7 | H3 | 31.0° | 37.3° |
| C7 | C6 | N5 | C1 | 107.4° | 95.0° |
| C7 | C6 | N5 | C5 | 70.0° | 84.9° |
| C6 | C7 | C8 | C9 | 48.1° | 20.9° |
| C6 | C7 | O7 | C8 | 105.1° | 112.7° |
| C6 | C7 | O7 | H3 | 126.5° | 123.6° |
| C6 | C7 | C8 | H3 | 117.8° | 118.2° |
| C6 | C7 | C8 | O8 | 166.4° | 97.8° |
| C6 | C7 | C8 | H4 | 68.8° | 139.7° |
| C6 | C7 | O7 | H19 | 180.0° | 180.0° |
| O14 | P3 | O12 | P2 | 57.0° | 45.0° |
| O14 | P3 | O4 | O12 | 120.8° | 120.0° |
| O14 | P3 | O4 | O13 | 125.6° | 120.0° |
| O14 | P3 | O12 | O13 | 121.0° | 120.0° |
| O14 | P3 | O13 | H22 | 0.0° | 180.0° |
| N5 | C1 | N1 | H1 | 180.0° | 179.7° |
| C1 | N5 | C5 | N2 | 179.4° | 179.8° |
| C1 | N5 | C5 | C4 | 1.7° | 0.3° |
| N5 | C1 | N1 | C11 | 179.6° | 179.8° |
| N5 | C1 | N1 | C4 | 0.6° | 0.3° |
| C1 | N5 | C6 | H2 | 130.6° | 142.2° |
| C5 | N5 | C1 | N1 | 1.5° | 0.0° |
| N5 | C5 | N2 | C4 | 177.5° | 179.9° |
| N5 | C5 | C4 | N1 | 1.3° | 0.4° |
| N5 | C5 | N2 | C2 | 178.6° | 180.0° |
| N5 | C5 | C4 | C3 | 179.1° | 180.0° |
| C5 | N5 | C1 | H1 | 178.6° | 179.7° |
| C5 | N5 | C6 | H2 | 52.0° | 37.9° |
| C1 | N1 | C4 | C5 | 0.4° | 0.4° |
| C1 | N1 | C11 | C4 | 179.7° | 180.0° |
| C1 | N1 | C4 | C3 | 180.0° | 180.0° |
| C1 | N1 | C11 | H8 | 161.1° | 145.0° |
| C1 | N1 | C11 | H9 | 41.1° | 25.1° |
| C10 | C9 | C8 | H5 | 120.9° | 121.0° |
| C9 | C10 | O9 | H6 | 120.0° | 120.1° |
| C9 | C10 | O9 | H7 | 120.0° | 120.0° |
| C9 | C10 | O9 | P2 | 149.8° | 180.0° |
| C10 | C9 | C8 | C7 | 170.2° | 121.5° |
| C10 | C9 | C8 | O8 | 72.4° | 119.9° |
| C10 | C9 | C8 | H4 | 53.1° | 2.8° |
| C9 | C10 | H6 | H7 | 120.0° | 120.0° |
| C8 | C9 | C10 | O9 | 57.6° | 175.0° |
| C9 | C8 | C7 | O7 | 65.1° | 139.1° |
| C9 | C8 | C7 | O8 | 118.3° | 118.7° |
| C9 | C8 | C7 | H4 | 116.9° | 118.8° |
| C9 | C8 | O8 | H4 | 124.7° | 122.7° |
| C9 | C8 | C7 | H3 | 165.8° | 97.3° |
| C8 | C9 | C10 | H6 | 177.6° | 54.9° |
| C8 | C9 | C10 | H7 | 62.4° | 65.0° |
| C9 | C8 | O8 | H20 | 180.0° | 176.2° |
| N2 | C5 | C4 | N1 | 179.3° | 179.6° |
| N2 | C5 | C4 | C3 | 1.1° | 0.0° |
| C5 | N2 | C2 | N3 | 179.4° | 180.0° |
| C5 | N2 | C2 | N4 | 0.5° | 0.1° |
| C5 | C4 | N1 | C11 | 179.4° | 179.6° |
| C5 | C4 | N1 | C3 | 179.6° | 179.5° |
| C4 | C5 | N2 | C2 | 1.1° | 0.1° |
| C5 | C4 | C3 | N4 | 0.5° | 0.0° |
| C5 | C4 | C3 | O6 | 179.4° | 180.0° |
| C11 | N1 | C4 | C3 | 0.2° | 0.1° |
| C11 | N1 | C1 | H1 | 0.4° | 0.0° |
| N1 | C11 | H8 | H9 | 120.0° | 120.0° |
| N1 | C4 | C3 | N4 | 180.0° | 179.5° |
| N1 | C4 | C3 | O6 | 0.1° | 0.5° |
| C4 | N1 | C1 | H1 | 179.4° | 180.0° |
| C4 | N1 | C11 | H8 | 18.6° | 35.0° |
| C4 | N1 | C11 | H9 | 138.6° | 154.9° |
| N2 | C2 | N3 | N4 | 180.0° | 179.9° |
| N2 | C2 | N4 | C3 | 0.0° | 0.1° |
| N2 | C2 | N3 | H14 | 0.0° | 180.0° |
| N2 | C2 | N3 | H15 | 180.0° | 0.1° |
| N2 | C2 | N4 | H16 | 180.0° | 180.0° |
| C10 | O9 | P2 | O11 | 169.5° | 64.9° |
| C10 | O9 | P2 | O12 | 76.3° | 175.0° |
| O9 | C10 | C9 | H5 | 178.4° | 54.1° |
| O9 | C10 | H6 | H7 | 120.0° | 120.0° |
| O9 | P2 | O11 | O12 | 114.2° | 120.0° |
| O9 | P2 | O12 | P3 | 106.8° | 160.0° |
| P2 | O9 | C10 | H6 | 29.8° | 59.9° |
| P2 | O9 | C10 | H7 | 90.2° | 60.0° |
| O9 | P2 | O11 | H21 | 118.8° | 60.0° |
| O11 | P2 | O12 | P3 | 141.6° | 80.0° |
| P2 | O12 | P3 | O4 | 63.9° | 165.0° |
| P2 | O12 | P3 | O13 | 178.0° | 75.0° |
| O12 | P2 | O11 | H21 | 127.0° | 60.0° |
| O4 | P3 | O12 | O13 | 118.2° | 120.0° |
| O4 | P3 | O13 | H22 | 125.5° | 60.0° |
| O7 | C7 | C8 | H3 | 129.0° | 123.6° |
| O7 | C7 | C8 | O8 | 53.2° | 20.4° |
| O7 | C7 | C6 | H2 | 36.1° | 36.6° |
| O7 | C7 | C8 | H4 | 178.0° | 102.1° |
| C4 | C3 | N4 | C2 | 0.0° | 0.1° |
| C4 | C3 | N4 | O6 | 179.9° | 180.0° |
| C4 | C3 | N4 | H16 | 179.9° | 180.0° |
| N3 | C2 | N4 | C3 | 180.0° | 180.0° |
| C2 | N3 | H14 | H15 | 180.0° | 179.9° |
| N3 | C2 | N4 | H16 | 0.0° | 0.1° |
| C2 | N4 | C3 | H16 | 180.0° | 179.9° |
| C2 | N4 | C3 | O6 | 180.0° | 180.0° |
| N4 | C2 | N3 | H14 | 180.0° | 0.1° |
| N4 | C2 | N3 | H15 | 0.0° | 180.0° |
| O6 | C3 | N4 | H16 | 0.0° | 0.1° |
| O12 | P3 | O13 | H22 | 120.9° | 60.0° |
| C7 | C8 | O8 | H4 | 124.1° | 122.5° |
| C8 | C7 | C6 | H2 | 150.6° | 81.7° |
| C7 | C8 | C9 | H5 | 68.9° | 117.5° |
| C8 | C7 | O7 | H19 | 74.9° | 67.3° |
| C7 | C8 | O8 | H20 | 68.9° | 61.4° |
| O8 | C8 | C7 | H3 | 75.9° | 143.9° |
| O8 | C8 | C9 | H5 | 48.4° | 1.1° |
| H2 | C6 | C7 | H3 | 91.4° | 160.1° |
| H3 | C7 | C8 | H4 | 48.9° | 21.4° |
| H3 | C7 | O7 | H19 | 53.4° | 56.4° |
| H4 | C8 | C9 | H5 | 174.0° | 123.8° |
| H4 | C8 | O8 | H20 | 55.2° | 61.1° |
| H5 | C9 | C10 | H6 | 61.6° | 66.0° |
| H5 | C9 | C10 | H7 | 58.4° | 174.0° |
| H10 | C13 | C14 | H11 | 0.0° | 0.0° |
| H12 | C16 | C17 | H13 | 0.1° | 0.2° |
| O15 | C18 | C19 | H23 | 90.0° | 118.4° |
| O15 | C18 | C19 | N6 | 90.0° | 118.5° |
| O15 | C18 | C19 | C20 | 90.0° | 37.0° |
| C18 | O15 | C21 | C20 | 90.0° | 26.5° |
| O15 | C18 | C19 | O17 | 90.0° | 155.2° |
| C18 | O15 | C21 | C22 | 90.0° | 145.9° |
| O15 | C18 | H23 | N6 | 90.0° | 123.0° |
| O15 | C18 | C19 | H24 | 90.0° | 81.2° |
| C18 | O15 | C21 | H26 | 90.0° | 92.9° |
| O15 | C18 | N6 | C24 | 90.0° | 156.2° |
| O15 | C18 | N6 | C25 | 90.0° | 23.5° |
| C18 | C19 | C20 | O17 | 90.0° | 118.2° |
| C18 | C19 | C20 | H24 | 90.0° | 118.2° |
| C18 | C19 | C20 | C21 | 90.0° | 20.9° |
| C19 | C18 | O15 | C21 | 90.0° | 40.0° |
| C18 | C19 | C20 | O16 | 90.0° | 97.8° |
| C18 | C19 | O17 | H24 | 90.0° | 123.7° |
| C19 | C18 | H23 | N6 | 90.0° | 123.0° |
| C18 | C19 | C20 | H25 | 90.0° | 139.6° |
| C18 | C19 | O17 | H30 | 90.0° | 180.0° |
| C19 | C18 | N6 | C24 | 90.0° | 89.8° |
| C19 | C18 | N6 | C25 | 90.0° | 90.6° |
| C19 | C20 | C21 | O16 | 90.0° | 118.7° |
| C19 | C20 | C21 | H25 | 90.0° | 118.7° |
| C19 | C20 | C21 | O15 | 90.0° | 2.0° |
| C19 | C20 | O16 | H25 | 90.0° | 122.7° |
| C20 | C19 | O17 | H24 | 90.0° | 123.6° |
| C19 | C20 | C21 | C22 | 90.0° | 121.5° |
| C20 | C19 | C18 | H23 | 90.0° | 81.4° |
| C19 | C20 | C21 | H26 | 90.0° | 117.4° |
| C19 | C20 | O16 | H29 | 90.0° | 61.5° |
| C20 | C19 | O17 | H30 | 90.0° | 67.3° |
| C20 | C19 | C18 | N6 | 90.0° | 155.5° |
| C20 | C21 | O15 | C22 | 90.0° | 119.4° |
| C20 | C21 | O15 | H26 | 90.0° | 119.4° |
| C20 | C21 | C22 | O3 | 90.0° | 175.1° |
| C21 | C20 | O16 | H25 | 90.0° | 122.6° |
| C21 | C20 | C19 | O17 | 90.0° | 139.1° |
| C20 | C21 | C22 | H26 | 90.0° | 121.1° |
| C21 | C20 | C19 | H24 | 90.0° | 97.4° |
| C20 | C21 | C22 | H27 | 90.0° | 65.0° |
| C20 | C21 | C22 | H28 | 90.0° | 55.0° |
| C21 | C20 | O16 | H29 | 90.0° | 176.2° |
| O15 | C21 | C22 | O3 | 90.0° | 67.1° |
| O15 | C21 | C20 | O16 | 90.0° | 120.7° |
| O15 | C21 | C22 | H26 | 90.0° | 121.1° |
| C21 | O15 | C18 | H23 | 90.0° | 78.4° |
| O15 | C21 | C20 | H25 | 90.0° | 116.7° |
| O15 | C21 | C22 | H27 | 90.0° | 52.8° |
| O15 | C21 | C22 | H28 | 90.0° | 172.8° |
| C21 | O15 | C18 | N6 | 90.0° | 158.6° |
| O3 | C22 | C21 | H27 | 90.0° | 119.9° |
| O3 | C22 | C21 | H28 | 90.0° | 120.0° |
| O3 | C22 | C21 | H26 | 90.0° | 54.0° |
| O3 | C22 | H27 | H28 | 90.0° | 120.1° |
| O16 | C20 | C19 | O17 | 90.0° | 20.4° |
| O16 | C20 | C21 | C22 | 90.0° | 119.9° |
| O16 | C20 | C19 | H24 | 90.0° | 144.0° |
| O16 | C20 | C21 | H26 | 90.0° | 1.3° |
| O17 | C19 | C18 | H23 | 90.0° | 36.7° |
| O17 | C19 | C20 | H25 | 90.0° | 102.2° |
| O17 | C19 | C18 | N6 | 90.0° | 86.3° |
| C22 | C21 | C20 | H25 | 90.0° | 2.7° |
| C21 | C22 | H27 | H28 | 90.0° | 120.0° |
| H23 | C18 | C19 | H24 | 90.0° | 160.3° |
| H23 | C18 | N6 | C24 | 90.0° | 33.2° |
| H23 | C18 | N6 | C25 | 90.0° | 146.5° |
| H24 | C19 | C20 | H25 | 90.0° | 21.4° |
| H24 | C19 | O17 | H30 | 90.0° | 56.4° |
| H24 | C19 | C18 | N6 | 90.0° | 37.3° |
| H25 | C20 | C21 | H26 | 90.0° | 123.9° |
| H25 | C20 | O16 | H29 | 90.0° | 61.2° |
| H26 | C21 | C22 | H27 | 90.0° | 173.9° |
| H26 | C21 | C22 | H28 | 90.0° | 66.1° |
| C18 | N6 | C24 | C23 | 90.0° | 180.0° |
| C18 | N6 | C24 | C25 | 90.0° | 179.7° |
| C18 | N6 | C25 | N7 | 90.0° | 180.0° |
| C18 | N6 | C24 | N9 | 90.0° | 0.0° |
| C18 | N6 | C25 | H18 | 90.0° | 0.0° |
| N7 | C23 | C24 | C26 | 90.0° | 180.0° |
| N7 | C23 | C24 | N6 | 90.0° | 0.2° |
| C23 | N7 | C25 | N6 | 90.0° | 0.2° |
| N7 | C23 | C26 | N8 | 90.0° | 179.9° |
| N7 | C23 | C24 | N9 | 90.0° | 179.8° |
| C23 | N7 | C25 | H18 | 90.0° | 179.9° |
| N7 | C23 | C26 | O18 | 90.0° | 0.0° |
| C23 | C24 | N6 | N9 | 90.0° | 180.0° |
| C23 | C24 | N6 | C25 | 90.0° | 0.3° |
| C24 | C23 | N7 | C25 | 90.0° | 0.0° |
| C24 | C23 | C26 | N8 | 90.0° | 0.1° |
| C23 | C24 | N9 | C27 | 90.0° | 0.0° |
| C24 | C23 | C26 | O18 | 90.0° | 180.0° |
| C24 | N6 | C25 | N7 | 90.0° | 0.3° |
| N6 | C24 | N9 | C27 | 90.0° | 180.0° |
| N6 | C24 | C23 | C26 | 90.0° | 179.8° |
| C24 | N6 | C25 | H18 | 90.0° | 179.8° |
| N6 | C25 | N7 | H18 | 90.0° | 179.9° |
| C25 | N6 | C24 | N9 | 90.0° | 179.7° |
| C25 | N7 | C23 | C26 | 90.0° | 180.0° |
| C26 | N8 | C27 | N9 | 90.0° | 0.6° |
| N8 | C26 | C23 | O18 | 90.0° | 180.0° |
| C26 | N8 | C27 | H31 | 90.0° | 179.6° |
| C26 | N8 | C27 | N10 | 90.0° | 180.0° |
| N9 | C27 | N8 | N10 | 90.0° | 179.4° |
| N9 | C27 | N8 | H31 | 90.0° | 179.8° |
| N9 | C27 | N10 | H34 | 90.0° | 179.5° |
| N9 | C27 | N10 | H35 | 90.0° | 0.6° |
| N9 | C24 | C23 | C26 | 90.0° | 0.2° |
| C24 | N9 | C27 | N8 | 90.0° | 0.4° |
| C24 | N9 | C27 | N10 | 90.0° | 179.8° |
| C23 | C26 | N8 | C27 | 90.0° | 0.4° |
| C23 | C26 | N8 | H31 | 90.0° | 180.0° |
| N8 | C27 | N10 | H34 | 90.0° | 0.1° |
| N8 | C27 | N10 | H35 | 90.0° | 180.0° |
| C27 | N8 | C26 | O18 | 90.0° | 179.6° |
| N10 | C27 | N8 | H31 | 90.0° | 0.4° |
| C27 | N10 | H34 | H35 | 90.0° | 179.9° |
| H31 | N8 | C26 | O18 | 90.0° | 0.0° |
