7L2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| N1 | C1 | sing | 1.34Å | 1.35Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | |
| C1 | C4 | sing | 1.47Å | 1.40Å | |
| N2 | C2 | sing | 1.37Å | 1.36Å | |
| C2 | N3 | sing | 1.36Å | 1.36Å | |
| C4 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C3 | sing | 1.37Å | 1.36Å | |
| N4 | C5 | doub | 1.30Å | 1.35Å | Aromatic |
| C3 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| O2 | C6 | sing | 1.44Å | 1.43Å | |
| O2 | C9 | sing | 1.44Å | 1.43Å | |
| C6 | C7 | sing | 1.55Å | 1.50Å | |
| O6 | P1 | doub | 1.48Å | 1.51Å | |
| O7 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| P1 | O8 | sing | 1.61Å | 1.62Å | |
| O5 | C10 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.51Å | |
| C7 | O3 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| O14 | C18 | sing | 1.44Å | 1.44Å | |
| O14 | C12 | sing | 1.44Å | 1.42Å | |
| S1 | P2 | sing | 2.12Å | 2.06Å | |
| C18 | N6 | sing | 1.47Å | 1.49Å | |
| C18 | C17 | sing | 1.54Å | 1.51Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| C19 | N6 | sing | 1.36Å | 1.35Å | Aromatic |
| C19 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N6 | C22 | sing | 1.37Å | 1.34Å | Aromatic |
| C20 | N7 | sing | 1.46Å | 1.48Å | |
| N7 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| O8 | P2 | sing | 1.61Å | 1.61Å | |
| C12 | C13 | sing | 1.54Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| C22 | N8 | sing | 1.34Å | 1.36Å | |
| O15 | C14 | sing | 1.44Å | 1.42Å | |
| O15 | C13 | sing | 1.44Å | 1.42Å | |
| C21 | C24 | sing | 1.41Å | 1.41Å | |
| C14 | O16 | sing | 1.44Å | 1.44Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| N8 | C23 | doub | 1.31Å | 1.35Å | |
| C24 | O17 | doub | 1.22Å | 1.37Å | |
| C24 | N10 | sing | 1.35Å | 1.37Å | |
| C23 | N10 | sing | 1.36Å | 1.36Å | |
| C23 | N9 | sing | 1.37Å | 1.36Å | |
| O16 | C17 | sing | 1.46Å | 1.42Å | |
| P2 | O10 | sing | 1.61Å | 1.62Å | |
| P2 | O9 | doub | 1.48Å | 1.48Å | |
| C17 | C13 | sing | 1.55Å | 1.51Å | |
| C11 | O13 | sing | 1.43Å | 1.42Å | |
| O10 | P3 | sing | 1.61Å | 1.62Å | |
| O13 | P3 | sing | 1.61Å | 1.61Å | |
| P3 | O11 | doub | 1.48Å | 1.51Å | |
| P3 | O12 | sing | 1.61Å | 1.51Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| S1 | H14 | sing | 1.35Å | 1.30Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| N9 | H32 | sing | 0.97Å | 1.00Å | |
| N9 | H33 | sing | 0.97Å | 1.00Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 119.9° | 120.7° |
| O1 | C1 | C4 | 120.3° | 120.7° |
| C1 | N1 | C2 | 121.6° | 121.4° |
| N1 | C1 | C4 | 119.8° | 118.6° |
| N1 | C2 | N2 | 119.6° | 118.7° |
| N1 | C2 | N3 | 120.4° | 122.5° |
| C1 | C4 | N4 | 134.8° | 134.5° |
| C1 | C4 | C3 | 117.8° | 118.1° |
| N2 | C2 | N3 | 120.0° | 118.7° |
| C2 | N2 | H1 | 120.0° | 120.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| C2 | N3 | C3 | 120.0° | 120.6° |
| C2 | N3 | H3 | 120.0° | 119.7° |
| N4 | C4 | C3 | 107.5° | 107.4° |
| C4 | N4 | C5 | 107.3° | 109.2° |
| C4 | C3 | N3 | 120.5° | 118.9° |
| C4 | C3 | N5 | 107.3° | 106.4° |
| N3 | C3 | N5 | 132.2° | 134.8° |
| C3 | N3 | H3 | 120.0° | 119.7° |
| N4 | C5 | N5 | 108.8° | 109.5° |
| N4 | C5 | H4 | 125.6° | 125.2° |
| C3 | N5 | C5 | 109.1° | 107.5° |
| C3 | N5 | C6 | 123.7° | 126.2° |
| C5 | N5 | C6 | 127.1° | 126.2° |
| N5 | C5 | H4 | 125.6° | 125.2° |
| N5 | C6 | O2 | 107.5° | 110.6° |
| N5 | C6 | C7 | 112.7° | 110.6° |
| N5 | C6 | H5 | 109.9° | 110.5° |
| C6 | O2 | C9 | 110.0° | 107.0° |
| O2 | C6 | C7 | 106.5° | 103.5° |
| O2 | C6 | H5 | 110.6° | 110.8° |
| O2 | C9 | C10 | 109.3° | 109.9° |
| O2 | C9 | C8 | 105.5° | 107.3° |
| O2 | C9 | H10 | 110.7° | 109.9° |
| C6 | C7 | O3 | 104.9° | 110.9° |
| C6 | C7 | C8 | 103.1° | 102.1° |
| C7 | C6 | H5 | 109.6° | 110.6° |
| C6 | C7 | H6 | 111.9° | 110.9° |
| O6 | P1 | O7 | 121.4° | 109.5° |
| O6 | P1 | O5 | 103.7° | 109.5° |
| O6 | P1 | O8 | 112.0° | 109.5° |
| O7 | P1 | O5 | 108.5° | 109.5° |
| O7 | P1 | O8 | 108.9° | 109.4° |
| P1 | O7 | H13 | 109.5° | 114.0° |
| O5 | P1 | O8 | 100.0° | 109.5° |
| P1 | O5 | C10 | 118.2° | 123.0° |
| P1 | O8 | P2 | 126.9° | 134.0° |
| O5 | C10 | C9 | 110.0° | 109.5° |
| O5 | C10 | H11 | 109.3° | 109.4° |
| O5 | C10 | H12 | 109.3° | 109.5° |
| C15 | C14 | O15 | 109.2° | 110.4° |
| C15 | C14 | O16 | 111.2° | 110.5° |
| C15 | C14 | C16 | 111.3° | 110.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.4° |
| C14 | C15 | H22 | 109.4° | 109.5° |
| C10 | C9 | C8 | 112.3° | 109.9° |
| C10 | C9 | H10 | 109.4° | 110.0° |
| C9 | C10 | H11 | 109.3° | 109.5° |
| C9 | C10 | H12 | 109.3° | 109.5° |
| C9 | C8 | C7 | 101.8° | 104.2° |
| C9 | C8 | O4 | 112.1° | 110.5° |
| C9 | C8 | H8 | 109.6° | 110.6° |
| C8 | C9 | H10 | 109.5° | 109.9° |
| O3 | C7 | C8 | 111.5° | 110.9° |
| O3 | C7 | H6 | 113.2° | 110.8° |
| C7 | O3 | H7 | 109.5° | 114.0° |
| C7 | C8 | O4 | 112.5° | 110.5° |
| C8 | C7 | H6 | 111.7° | 110.9° |
| C7 | C8 | H8 | 109.6° | 110.5° |
| C18 | O14 | C12 | 109.1° | 105.2° |
| O14 | C18 | N6 | 108.8° | 110.3° |
| O14 | C18 | C17 | 109.5° | 104.9° |
| O14 | C18 | H27 | 108.5° | 110.4° |
| O14 | C12 | C13 | 105.0° | 104.9° |
| O14 | C12 | C11 | 108.3° | 110.4° |
| O14 | C12 | H18 | 111.9° | 110.4° |
| S1 | P2 | O8 | 112.1° | 109.5° |
| S1 | P2 | O10 | 107.7° | 109.5° |
| S1 | P2 | O9 | 111.6° | 109.4° |
| P2 | S1 | H14 | 102.0° | 103.0° |
| N6 | C18 | C17 | 114.3° | 110.3° |
| C18 | N6 | C19 | 127.4° | 126.2° |
| C18 | N6 | C22 | 123.7° | 126.3° |
| N6 | C18 | H27 | 107.9° | 110.3° |
| C18 | C17 | O16 | 108.4° | 108.9° |
| C18 | C17 | C13 | 102.2° | 103.9° |
| C18 | C17 | H26 | 112.7° | 113.1° |
| C17 | C18 | H27 | 107.6° | 110.4° |
| O4 | C8 | H8 | 110.8° | 110.4° |
| C8 | O4 | H9 | 109.5° | 114.0° |
| N6 | C19 | N7 | 108.7° | 109.8° |
| C19 | N6 | C22 | 108.8° | 107.5° |
| N6 | C19 | H28 | 125.6° | 125.1° |
| C19 | N7 | C20 | 125.0° | 125.4° |
| C19 | N7 | C21 | 107.1° | 109.4° |
| N7 | C19 | H28 | 125.7° | 125.1° |
| N6 | C22 | C21 | 107.2° | 106.1° |
| N6 | C22 | N8 | 132.9° | 134.1° |
| C20 | N7 | C21 | 127.9° | 125.3° |
| N7 | C20 | H29 | 109.5° | 109.5° |
| N7 | C20 | H30 | 109.5° | 109.5° |
| N7 | C20 | H31 | 109.5° | 109.5° |
| N7 | C21 | C22 | 108.2° | 107.3° |
| N7 | C21 | C24 | 131.9° | 134.2° |
| O8 | P2 | O10 | 107.8° | 109.5° |
| O8 | P2 | O9 | 107.5° | 109.5° |
| C13 | C12 | C11 | 110.7° | 110.4° |
| C12 | C13 | O15 | 107.3° | 108.7° |
| C12 | C13 | C17 | 106.7° | 103.9° |
| C13 | C12 | H18 | 110.5° | 110.4° |
| C12 | C13 | H19 | 112.2° | 112.7° |
| C12 | C11 | O13 | 107.2° | 109.5° |
| C12 | C11 | H16 | 110.1° | 109.4° |
| C12 | C11 | H17 | 110.0° | 109.5° |
| C11 | C12 | H18 | 110.4° | 110.3° |
| C21 | C22 | N8 | 119.8° | 119.8° |
| C22 | C21 | C24 | 119.9° | 118.6° |
| C22 | N8 | C23 | 120.7° | 121.1° |
| C14 | O15 | C13 | 107.9° | 104.8° |
| O15 | C14 | O16 | 106.8° | 104.6° |
| O15 | C14 | C16 | 108.0° | 110.4° |
| O15 | C13 | C17 | 104.2° | 105.3° |
| O15 | C13 | H19 | 113.8° | 112.7° |
| C21 | C24 | O17 | 123.5° | 120.8° |
| C21 | C24 | N10 | 118.0° | 118.4° |
| O16 | C14 | C16 | 110.2° | 110.4° |
| C14 | O16 | C17 | 108.3° | 104.8° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.4° | 109.5° |
| N8 | C23 | N10 | 120.3° | 121.9° |
| N8 | C23 | N9 | 118.5° | 119.1° |
| O17 | C24 | N10 | 118.5° | 120.8° |
| C24 | N10 | C23 | 121.2° | 120.3° |
| C24 | N10 | H34 | 119.4° | 119.8° |
| N10 | C23 | N9 | 121.2° | 119.0° |
| C23 | N10 | H34 | 119.4° | 119.9° |
| C23 | N9 | H32 | 120.0° | 120.0° |
| C23 | N9 | H33 | 120.0° | 120.1° |
| O16 | C17 | C13 | 105.8° | 103.9° |
| O16 | C17 | H26 | 114.2° | 112.7° |
| O10 | P2 | O9 | 110.1° | 109.5° |
| P2 | O10 | P3 | 126.5° | 134.0° |
| C17 | C13 | H19 | 112.2° | 112.9° |
| C13 | C17 | H26 | 112.7° | 113.6° |
| C11 | O13 | P3 | 119.5° | 123.0° |
| O13 | C11 | H16 | 110.1° | 109.5° |
| O13 | C11 | H17 | 110.0° | 109.5° |
| O10 | P3 | O13 | 102.2° | 109.5° |
| O10 | P3 | O11 | 112.8° | 109.5° |
| O10 | P3 | O12 | 106.2° | 109.5° |
| O13 | P3 | O11 | 106.5° | 109.5° |
| O13 | P3 | O12 | 107.1° | 109.4° |
| O11 | P3 | O12 | 120.4° | 109.5° |
| P3 | O12 | H15 | 109.5° | 114.0° |
| H1 | N2 | H2 | 120.0° | 120.0° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.4° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.4° | 109.5° |
| H32 | N9 | H33 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C4 | 179.9° | 179.7° |
| O1 | C1 | N1 | C2 | 179.6° | 180.0° |
| O1 | C1 | C4 | N4 | 1.0° | 0.1° |
| O1 | C1 | C4 | C3 | 179.6° | 179.8° |
| C1 | N1 | C2 | N2 | 179.9° | 180.0° |
| C1 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C1 | C4 | N4 | 179.2° | 179.8° |
| N1 | C1 | C4 | C3 | 0.3° | 0.6° |
| C2 | N1 | C1 | C4 | 0.3° | 0.3° |
| N1 | C2 | N2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C3 | 0.4° | 0.1° |
| N1 | C2 | N2 | H1 | 0.0° | 0.0° |
| N1 | C2 | N2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H3 | 179.5° | 180.0° |
| C1 | C4 | N4 | C3 | 179.5° | 179.7° |
| C1 | C4 | C3 | N3 | 0.1° | 0.6° |
| C1 | C4 | N4 | C5 | 179.8° | 180.0° |
| C1 | C4 | C3 | N5 | 179.6° | 179.6° |
| N2 | C2 | N3 | C3 | 179.8° | 180.0° |
| C2 | N2 | H1 | H2 | 180.0° | 179.9° |
| N2 | C2 | N3 | H3 | 0.3° | 0.0° |
| C2 | N3 | C3 | C4 | 0.4° | 0.4° |
| C2 | N3 | C3 | H3 | 180.0° | 179.9° |
| C2 | N3 | C3 | N5 | 179.1° | 180.0° |
| N3 | C2 | N2 | H1 | 179.8° | 179.9° |
| N3 | C2 | N2 | H2 | 0.2° | 0.0° |
| N4 | C4 | C3 | N3 | 179.7° | 179.7° |
| N4 | C4 | C3 | N5 | 0.0° | 0.1° |
| C4 | N4 | C5 | N5 | 1.1° | 0.6° |
| C4 | N4 | C5 | H4 | 178.9° | 180.0° |
| C4 | C3 | N3 | N5 | 179.6° | 179.7° |
| C3 | C4 | N4 | C5 | 0.7° | 0.3° |
| C4 | C3 | N5 | C5 | 0.7° | 0.4° |
| C4 | C3 | N5 | C6 | 178.4° | 179.8° |
| C4 | C3 | N3 | H3 | 179.5° | 179.7° |
| N3 | C3 | N5 | C5 | 179.7° | 179.3° |
| N3 | C3 | N5 | C6 | 2.0° | 0.1° |
| N4 | C5 | N5 | C3 | 1.1° | 0.6° |
| N4 | C5 | N5 | H4 | 180.0° | 179.4° |
| N4 | C5 | N5 | C6 | 178.8° | 180.0° |
| C3 | N5 | C5 | C6 | 177.6° | 179.3° |
| C3 | N5 | C6 | O2 | 144.6° | 160.9° |
| C3 | N5 | C6 | C7 | 98.3° | 85.0° |
| N5 | C3 | N3 | H3 | 0.9° | 0.0° |
| C3 | N5 | C5 | H4 | 178.9° | 180.0° |
| C3 | N5 | C6 | H5 | 24.2° | 37.8° |
| C5 | N5 | C6 | O2 | 32.7° | 19.9° |
| C5 | N5 | C6 | C7 | 84.3° | 94.2° |
| C5 | N5 | C6 | H5 | 153.1° | 142.9° |
| N5 | C6 | O2 | C7 | 121.0° | 118.5° |
| N5 | C6 | O2 | H5 | 119.9° | 122.9° |
| N5 | C6 | O2 | C9 | 115.6° | 158.5° |
| N5 | C6 | C7 | H5 | 122.7° | 122.8° |
| N5 | C6 | C7 | O3 | 151.4° | 86.3° |
| N5 | C6 | C7 | C8 | 91.8° | 155.5° |
| C6 | N5 | C5 | H4 | 1.3° | 0.6° |
| N5 | C6 | C7 | H6 | 28.3° | 37.3° |
| O2 | C6 | C7 | H5 | 119.7° | 118.7° |
| C6 | O2 | C9 | C10 | 138.3° | 145.9° |
| C6 | O2 | C9 | C8 | 17.4° | 26.5° |
| O2 | C6 | C7 | O3 | 91.0° | 155.2° |
| O2 | C6 | C7 | C8 | 25.8° | 37.0° |
| O2 | C6 | C7 | H6 | 145.9° | 81.2° |
| C6 | O2 | C9 | H10 | 101.0° | 93.0° |
| C9 | O2 | C6 | C7 | 5.4° | 40.0° |
| O2 | C9 | C10 | O5 | 66.6° | 66.5° |
| O2 | C9 | C10 | C8 | 116.8° | 117.8° |
| O2 | C9 | C10 | H10 | 121.4° | 121.1° |
| O2 | C9 | C8 | H10 | 119.2° | 119.4° |
| O2 | C9 | C8 | C7 | 32.5° | 2.0° |
| O2 | C9 | C8 | O4 | 153.0° | 120.7° |
| C9 | O2 | C6 | H5 | 124.5° | 78.5° |
| O2 | C9 | C8 | H8 | 83.5° | 116.8° |
| O2 | C9 | C10 | H11 | 173.3° | 173.6° |
| O2 | C9 | C10 | H12 | 53.5° | 53.5° |
| C6 | C7 | C8 | C9 | 35.1° | 20.9° |
| C6 | C7 | O3 | C8 | 110.9° | 112.7° |
| C6 | C7 | O3 | H6 | 122.3° | 123.6° |
| C6 | C7 | C8 | H6 | 120.3° | 118.2° |
| C6 | C7 | C8 | O4 | 155.3° | 97.8° |
| C6 | C7 | O3 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 81.0° | 139.7° |
| O6 | P1 | O7 | O5 | 119.8° | 120.0° |
| O6 | P1 | O7 | O8 | 132.3° | 120.0° |
| O6 | P1 | O5 | O8 | 115.7° | 120.0° |
| O6 | P1 | O5 | C10 | 45.3° | 55.0° |
| O6 | P1 | O8 | P2 | 86.6° | 40.0° |
| O6 | P1 | O7 | H13 | 0.0° | 180.0° |
| O7 | P1 | O5 | O8 | 114.0° | 120.0° |
| O7 | P1 | O5 | C10 | 175.6° | 65.0° |
| O7 | P1 | O8 | P2 | 50.5° | 80.0° |
| P1 | O5 | C10 | C9 | 177.3° | 180.0° |
| O5 | P1 | O8 | P2 | 164.1° | 160.0° |
| P1 | O5 | C10 | H11 | 62.6° | 60.0° |
| P1 | O5 | C10 | H12 | 57.2° | 60.0° |
| O5 | P1 | O7 | H13 | 119.8° | 60.0° |
| O8 | P1 | O5 | C10 | 70.4° | 175.0° |
| P1 | O8 | P2 | S1 | 11.4° | 60.0° |
| P1 | O8 | P2 | O10 | 107.0° | 180.0° |
| P1 | O8 | P2 | O9 | 134.4° | 60.0° |
| O8 | P1 | O7 | H13 | 132.2° | 60.0° |
| O5 | C10 | C9 | H11 | 120.1° | 120.0° |
| O5 | C10 | C9 | H12 | 120.1° | 120.0° |
| O5 | C10 | C9 | C8 | 50.2° | 175.7° |
| O5 | C10 | C9 | H10 | 172.0° | 54.6° |
| O5 | C10 | H11 | H12 | 119.8° | 120.0° |
| C15 | C14 | O15 | O16 | 120.3° | 118.8° |
| C15 | C14 | O15 | C16 | 121.1° | 122.4° |
| C15 | C14 | O15 | C13 | 142.9° | 158.5° |
| C15 | C14 | O16 | C16 | 123.8° | 122.5° |
| C15 | C14 | O16 | C17 | 127.0° | 158.8° |
| C14 | C15 | H20 | H21 | 120.0° | 119.9° |
| C14 | C15 | H20 | H22 | 120.0° | 120.1° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | C14 | C16 | H23 | 180.0° | 62.4° |
| C15 | C14 | C16 | H24 | 60.0° | 57.6° |
| C15 | C14 | C16 | H25 | 60.0° | 177.6° |
| C10 | C9 | C8 | H10 | 121.7° | 121.2° |
| C10 | C9 | C8 | C7 | 151.6° | 121.4° |
| C10 | C9 | C8 | O4 | 88.0° | 119.8° |
| C10 | C9 | C8 | H8 | 35.5° | 2.7° |
| C9 | C10 | H11 | H12 | 119.8° | 120.0° |
| C9 | C8 | C7 | O3 | 77.0° | 139.1° |
| C9 | C8 | C7 | O4 | 120.2° | 118.7° |
| C9 | C8 | C7 | H8 | 116.1° | 118.8° |
| C9 | C8 | O4 | H8 | 122.8° | 122.6° |
| C9 | C8 | C7 | H6 | 155.4° | 97.3° |
| C9 | C8 | O4 | H9 | 180.0° | 176.2° |
| C8 | C9 | C10 | H11 | 69.9° | 55.8° |
| C8 | C9 | C10 | H12 | 170.3° | 64.3° |
| O3 | C7 | C8 | H6 | 127.7° | 123.6° |
| O3 | C7 | C8 | O4 | 43.3° | 20.4° |
| O3 | C7 | C6 | H5 | 28.7° | 36.5° |
| O3 | C7 | C8 | H8 | 167.0° | 102.1° |
| C7 | C8 | O4 | H8 | 123.1° | 122.6° |
| C8 | C7 | C6 | H5 | 145.5° | 81.7° |
| C8 | C7 | O3 | H7 | 69.1° | 67.3° |
| C7 | C8 | O4 | H9 | 65.9° | 61.4° |
| C7 | C8 | C9 | H10 | 86.7° | 117.4° |
| O14 | C18 | N6 | C17 | 122.8° | 115.5° |
| O14 | C18 | N6 | H27 | 117.6° | 122.2° |
| O14 | C18 | C17 | H27 | 117.7° | 119.0° |
| O14 | C18 | N6 | C19 | 5.7° | 23.8° |
| O14 | C18 | N6 | C22 | 170.2° | 156.4° |
| C18 | O14 | C12 | C13 | 23.3° | 40.7° |
| C18 | O14 | C12 | C11 | 95.0° | 159.6° |
| O14 | C18 | C17 | O16 | 119.4° | 134.3° |
| O14 | C18 | C17 | C13 | 8.0° | 24.1° |
| C18 | O14 | C12 | H18 | 143.1° | 78.2° |
| O14 | C18 | C17 | H26 | 113.1° | 99.6° |
| C12 | O14 | C18 | N6 | 115.9° | 159.6° |
| C12 | O14 | C18 | C17 | 9.7° | 40.7° |
| O14 | C12 | C13 | C11 | 116.6° | 118.9° |
| O14 | C12 | C13 | H18 | 120.8° | 119.0° |
| O14 | C12 | C11 | H18 | 122.8° | 122.3° |
| O14 | C12 | C13 | O15 | 82.8° | 135.8° |
| O14 | C12 | C13 | C17 | 28.4° | 24.1° |
| O14 | C12 | C11 | O13 | 175.6° | 69.5° |
| O14 | C12 | C11 | H16 | 64.7° | 50.5° |
| O14 | C12 | C11 | H17 | 56.0° | 170.5° |
| O14 | C12 | C13 | H19 | 151.6° | 98.5° |
| C12 | O14 | C18 | H27 | 126.9° | 78.2° |
| S1 | P2 | O8 | O10 | 118.4° | 120.0° |
| S1 | P2 | O8 | O9 | 123.0° | 120.0° |
| S1 | P2 | O10 | O9 | 121.9° | 120.0° |
| S1 | P2 | O10 | P3 | 176.6° | 60.0° |
| N6 | C18 | C17 | H27 | 119.9° | 122.2° |
| C18 | N6 | C19 | C22 | 176.3° | 179.8° |
| C18 | N6 | C19 | N7 | 176.9° | 180.0° |
| C18 | N6 | C22 | C21 | 177.4° | 179.8° |
| C18 | N6 | C22 | N8 | 2.6° | 0.0° |
| N6 | C18 | C17 | O16 | 118.2° | 106.8° |
| N6 | C18 | C17 | C13 | 130.4° | 142.9° |
| N6 | C18 | C17 | H26 | 9.3° | 19.3° |
| C18 | N6 | C19 | H28 | 3.1° | 0.0° |
| C17 | C18 | N6 | C19 | 117.1° | 91.7° |
| C17 | C18 | N6 | C22 | 67.1° | 88.1° |
| C18 | C17 | C13 | C12 | 21.8° | 0.0° |
| C18 | C17 | C13 | O15 | 91.5° | 114.2° |
| C18 | C17 | O16 | C14 | 100.5° | 134.4° |
| C18 | C17 | O16 | C13 | 108.9° | 110.2° |
| C18 | C17 | O16 | H26 | 126.5° | 126.3° |
| C18 | C17 | C13 | H26 | 121.2° | 123.3° |
| C18 | C17 | C13 | H19 | 145.0° | 122.4° |
| O4 | C8 | C7 | H6 | 84.4° | 144.0° |
| O4 | C8 | C9 | H10 | 33.8° | 1.3° |
| N6 | C19 | N7 | H28 | 180.0° | 180.0° |
| N6 | C19 | N7 | C20 | 179.0° | 180.0° |
| N6 | C19 | N7 | C21 | 0.0° | 0.0° |
| C19 | N6 | C22 | C21 | 0.9° | 0.4° |
| C19 | N6 | C22 | N8 | 179.1° | 179.8° |
| C19 | N6 | C18 | H27 | 123.2° | 146.1° |
| N7 | C19 | N6 | C22 | 0.6° | 0.2° |
| C19 | N7 | C20 | C21 | 178.8° | 180.0° |
| C19 | N7 | C21 | C22 | 0.5° | 0.3° |
| C19 | N7 | C21 | C24 | 178.8° | 180.0° |
| C19 | N7 | C20 | H29 | 180.0° | 90.0° |
| C19 | N7 | C20 | H30 | 60.0° | 150.0° |
| C19 | N7 | C20 | H31 | 60.0° | 30.0° |
| N6 | C22 | C21 | N7 | 0.9° | 0.4° |
| N6 | C22 | C21 | N8 | 180.0° | 179.9° |
| N6 | C22 | C21 | C24 | 179.4° | 179.8° |
| N6 | C22 | N8 | C23 | 179.8° | 180.0° |
| C22 | N6 | C18 | H27 | 52.6° | 34.2° |
| C22 | N6 | C19 | H28 | 179.4° | 179.7° |
| C20 | N7 | C21 | C22 | 179.5° | 179.7° |
| C20 | N7 | C21 | C24 | 2.2° | 0.0° |
| C20 | N7 | C19 | H28 | 1.0° | 0.0° |
| N7 | C20 | H29 | H30 | 120.0° | 120.0° |
| N7 | C20 | H29 | H31 | 120.0° | 120.0° |
| N7 | C20 | H30 | H31 | 120.0° | 120.0° |
| N7 | C21 | C22 | C24 | 178.5° | 179.8° |
| N7 | C21 | C22 | N8 | 179.1° | 179.7° |
| N7 | C21 | C24 | O17 | 1.4° | 0.0° |
| N7 | C21 | C24 | N10 | 178.9° | 179.2° |
| C21 | N7 | C19 | H28 | 180.0° | 180.0° |
| C21 | N7 | C20 | H29 | 1.2° | 90.0° |
| C21 | N7 | C20 | H30 | 121.2° | 30.0° |
| C21 | N7 | C20 | H31 | 118.8° | 150.0° |
| O8 | P2 | O10 | O9 | 117.0° | 120.0° |
| O8 | P2 | O10 | P3 | 55.5° | 180.0° |
| O8 | P2 | S1 | H14 | 120.6° | 60.0° |
| C13 | C12 | C11 | H18 | 122.7° | 122.2° |
| C12 | C13 | O15 | C14 | 140.1° | 134.3° |
| C12 | C13 | O15 | C17 | 112.9° | 110.8° |
| C12 | C13 | O15 | H19 | 124.7° | 125.7° |
| C12 | C13 | C17 | O16 | 135.1° | 113.8° |
| C12 | C13 | C17 | H19 | 123.2° | 122.4° |
| C13 | C12 | C11 | O13 | 69.8° | 175.0° |
| C13 | C12 | C11 | H16 | 49.9° | 65.0° |
| C13 | C12 | C11 | H17 | 170.6° | 55.0° |
| C12 | C13 | C17 | H26 | 99.4° | 123.4° |
| C11 | C12 | C13 | O15 | 160.6° | 105.3° |
| C11 | C12 | C13 | C17 | 88.3° | 143.0° |
| C12 | C11 | O13 | H16 | 119.7° | 120.0° |
| C12 | C11 | O13 | H17 | 119.6° | 120.0° |
| C12 | C11 | O13 | P3 | 164.8° | 180.0° |
| C12 | C11 | H16 | H17 | 121.0° | 120.0° |
| C11 | C12 | C13 | H19 | 34.9° | 20.4° |
| C21 | C22 | N8 | C23 | 0.2° | 0.2° |
| C22 | C21 | C24 | O17 | 179.5° | 179.7° |
| C22 | C21 | C24 | N10 | 0.9° | 0.5° |
| N8 | C22 | C21 | C24 | 0.6° | 0.1° |
| C22 | N8 | C23 | N10 | 0.1° | 0.1° |
| C22 | N8 | C23 | N9 | 179.6° | 180.0° |
| O15 | C14 | O16 | C16 | 117.1° | 118.7° |
| O15 | C14 | O16 | C17 | 8.0° | 40.0° |
| C14 | O15 | C13 | C17 | 27.2° | 23.5° |
| C14 | O15 | C13 | H19 | 95.2° | 100.0° |
| O15 | C14 | C15 | H20 | 180.0° | 60.1° |
| O15 | C14 | C15 | H21 | 60.0° | 180.0° |
| O15 | C14 | C15 | H22 | 60.0° | 60.0° |
| O15 | C14 | C16 | H23 | 60.1° | 60.0° |
| O15 | C14 | C16 | H24 | 59.9° | 180.0° |
| O15 | C14 | C16 | H25 | 179.9° | 60.0° |
| C13 | O15 | C14 | O16 | 22.6° | 39.6° |
| C13 | O15 | C14 | C16 | 96.0° | 79.1° |
| O15 | C13 | C17 | O16 | 21.8° | 0.4° |
| O15 | C13 | C17 | H19 | 123.5° | 123.4° |
| O15 | C13 | C12 | H18 | 38.0° | 16.8° |
| O15 | C13 | C17 | H26 | 147.3° | 122.5° |
| C21 | C24 | O17 | N10 | 179.7° | 179.2° |
| C21 | C24 | N10 | C23 | 0.7° | 0.7° |
| C21 | C24 | N10 | H34 | 179.3° | 179.7° |
| C14 | O16 | C17 | C13 | 8.5° | 24.2° |
| O16 | C14 | C15 | H20 | 62.4° | 55.2° |
| O16 | C14 | C15 | H21 | 177.6° | 64.8° |
| O16 | C14 | C15 | H22 | 57.6° | 175.3° |
| O16 | C14 | C16 | H23 | 56.2° | 175.2° |
| O16 | C14 | C16 | H24 | 176.2° | 64.9° |
| O16 | C14 | C16 | H25 | 63.8° | 55.2° |
| C14 | O16 | C17 | H26 | 133.0° | 99.3° |
| C16 | C14 | O16 | C17 | 109.1° | 78.8° |
| C16 | C14 | C15 | H20 | 60.8° | 177.6° |
| C16 | C14 | C15 | H21 | 59.1° | 57.6° |
| C16 | C14 | C15 | H22 | 179.1° | 62.3° |
| C14 | C16 | H23 | H24 | 120.0° | 120.0° |
| C14 | C16 | H23 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| N8 | C23 | N10 | C24 | 0.4° | 0.4° |
| N8 | C23 | N10 | N9 | 179.5° | 179.9° |
| N8 | C23 | N9 | H32 | 0.0° | 0.0° |
| N8 | C23 | N9 | H33 | 180.0° | 180.0° |
| N8 | C23 | N10 | H34 | 179.6° | 180.0° |
| O17 | C24 | N10 | C23 | 179.6° | 179.8° |
| O17 | C24 | N10 | H34 | 0.4° | 0.5° |
| C24 | N10 | C23 | H34 | 180.0° | 179.6° |
| C24 | N10 | C23 | N9 | 179.9° | 179.5° |
| N10 | C23 | N9 | H32 | 179.5° | 179.9° |
| N10 | C23 | N9 | H33 | 0.5° | 0.1° |
| C23 | N9 | H32 | H33 | 180.0° | 180.0° |
| N9 | C23 | N10 | H34 | 0.1° | 0.1° |
| O16 | C17 | C13 | H26 | 125.5° | 122.8° |
| O16 | C17 | C13 | H19 | 101.7° | 123.8° |
| O16 | C17 | C18 | H27 | 1.7° | 15.3° |
| P2 | O10 | P3 | O13 | 86.7° | 165.0° |
| P2 | O10 | P3 | O11 | 27.2° | 45.0° |
| P2 | O10 | P3 | O12 | 161.2° | 75.0° |
| O10 | P2 | S1 | H14 | 121.0° | 60.0° |
| O9 | P2 | O10 | P3 | 61.5° | 60.0° |
| O9 | P2 | S1 | H14 | 0.0° | 180.0° |
| C17 | C13 | C12 | H18 | 149.1° | 94.9° |
| C13 | C17 | C18 | H27 | 109.7° | 94.9° |
| C11 | O13 | P3 | O10 | 56.3° | 175.0° |
| C11 | O13 | P3 | O11 | 174.8° | 55.0° |
| C11 | O13 | P3 | O12 | 55.1° | 65.0° |
| O13 | C11 | H16 | H17 | 121.1° | 120.0° |
| O13 | C11 | C12 | H18 | 52.9° | 52.8° |
| O10 | P3 | O13 | O11 | 118.5° | 120.0° |
| O10 | P3 | O13 | O12 | 111.4° | 120.0° |
| O10 | P3 | O11 | O12 | 126.7° | 120.0° |
| O10 | P3 | O12 | H15 | 129.7° | 59.9° |
| O13 | P3 | O11 | O12 | 122.0° | 120.0° |
| O13 | P3 | O12 | H15 | 121.7° | 60.0° |
| P3 | O13 | C11 | H16 | 75.6° | 60.0° |
| P3 | O13 | C11 | H17 | 45.1° | 60.0° |
| O11 | P3 | O12 | H15 | 0.0° | 180.0° |
| H5 | C6 | C7 | H6 | 94.4° | 160.1° |
| H6 | C7 | O3 | H7 | 57.8° | 56.4° |
| H6 | C7 | C8 | H8 | 39.3° | 21.5° |
| H8 | C8 | O4 | H9 | 57.2° | 61.2° |
| H8 | C8 | C9 | H10 | 157.3° | 123.8° |
| H10 | C9 | C10 | H11 | 51.9° | 65.3° |
| H10 | C9 | C10 | H12 | 67.9° | 174.6° |
| H16 | C11 | C12 | H18 | 172.5° | 172.8° |
| H17 | C11 | C12 | H18 | 66.8° | 67.2° |
| H18 | C12 | C13 | H19 | 87.6° | 142.6° |
| H19 | C13 | C17 | H26 | 23.8° | 0.9° |
| H20 | C15 | H21 | H22 | 120.0° | 120.1° |
| H23 | C16 | H24 | H25 | 120.0° | 120.0° |
| H26 | C17 | C18 | H27 | 129.1° | 141.4° |
| H29 | C20 | H30 | H31 | 120.0° | 120.0° |
