OKR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C18 | sing | 1.54Å | 1.54Å | |
| C6 | O1 | sing | 1.44Å | 1.45Å | |
| O2 | P1 | sing | 1.61Å | 1.61Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| O1 | C5 | sing | 1.44Å | 1.41Å | |
| O6 | C9 | sing | 1.43Å | 1.42Å | |
| O3 | P1 | doub | 1.48Å | 1.50Å | |
| N8 | C16 | sing | 1.37Å | 1.34Å | |
| O8 | P2 | doub | 1.48Å | 1.49Å | |
| O9 | P2 | sing | 1.61Å | 1.50Å | |
| N7 | C16 | sing | 1.36Å | 1.38Å | |
| N7 | C15 | sing | 1.35Å | 1.40Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| P1 | O4 | sing | 1.61Å | 1.50Å | |
| C16 | N9 | doub | 1.31Å | 1.33Å | |
| C19 | C5 | sing | 1.55Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| O18 | C15 | doub | 1.22Å | 1.24Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C15 | C14 | sing | 1.41Å | 1.42Å | |
| C8 | O5 | sing | 1.43Å | 1.43Å | |
| C8 | C12 | sing | 1.54Å | 1.53Å | |
| P2 | O7 | sing | 1.61Å | 1.60Å | |
| P2 | O10 | sing | 1.61Å | 1.61Å | |
| N9 | C17 | sing | 1.34Å | 1.36Å | |
| C14 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | N6 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| O7 | C11 | sing | 1.43Å | 1.45Å | |
| N6 | C13 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C1 | doub | 1.31Å | 1.33Å | |
| N2 | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C1 | sing | 1.37Å | 1.34Å | |
| N5 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C12 | sing | 1.46Å | 1.46Å | |
| O12 | P3 | doub | 1.48Å | 1.50Å | |
| N4 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C12 | O17 | sing | 1.44Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | O17 | sing | 1.44Å | 1.45Å | |
| C1 | N10 | sing | 1.36Å | 1.38Å | |
| O10 | P3 | sing | 1.61Å | 1.60Å | |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| O14 | P4 | doub | 1.48Å | 1.50Å | |
| P3 | O11 | sing | 1.61Å | 1.50Å | |
| P3 | O13 | sing | 1.61Å | 1.60Å | |
| C4 | N3 | doub | 1.30Å | 1.32Å | Aromatic |
| N10 | C20 | sing | 1.35Å | 1.40Å | |
| C3 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C20 | sing | 1.41Å | 1.42Å | |
| P4 | O13 | sing | 1.61Å | 1.61Å | |
| P4 | O16 | sing | 1.61Å | 1.52Å | |
| P4 | O15 | sing | 1.61Å | 1.51Å | |
| C20 | O21 | doub | 1.22Å | 1.24Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| O9 | H15 | sing | 0.97Å | 0.95Å | |
| O11 | H16 | sing | 0.97Å | 0.95Å | |
| O15 | H17 | sing | 0.97Å | 0.95Å | |
| O16 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| N8 | H22 | sing | 0.97Å | 1.00Å | |
| N8 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| O19 | H25 | sing | 0.97Å | 0.95Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| O20 | H27 | sing | 0.97Å | 0.95Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | C6 | 112.5° | 110.5° |
| O19 | C18 | C19 | 110.0° | 110.4° |
| O19 | C18 | H24 | 111.4° | 110.5° |
| C18 | O19 | H25 | 109.5° | 114.0° |
| C6 | C7 | O2 | 110.1° | 109.5° |
| C7 | C6 | C18 | 115.9° | 110.4° |
| C7 | C6 | O1 | 109.5° | 110.3° |
| C7 | C6 | H5 | 108.4° | 110.4° |
| C6 | C7 | H6 | 109.3° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.4° |
| C7 | O2 | P1 | 121.4° | 123.0° |
| O2 | C7 | H6 | 109.3° | 109.5° |
| O2 | C7 | H7 | 109.4° | 109.4° |
| C18 | C6 | O1 | 105.7° | 104.8° |
| C6 | C18 | C19 | 103.1° | 104.1° |
| C18 | C6 | H5 | 108.0° | 110.4° |
| C6 | C18 | H24 | 109.7° | 110.5° |
| C6 | O1 | C5 | 109.2° | 105.3° |
| O1 | C6 | H5 | 109.2° | 110.4° |
| O2 | P1 | O3 | 107.6° | 109.5° |
| O2 | P1 | O5 | 101.4° | 109.5° |
| O2 | P1 | O4 | 112.2° | 109.5° |
| C18 | C19 | C5 | 100.3° | 104.0° |
| C18 | C19 | O20 | 112.5° | 110.6° |
| C19 | C18 | H24 | 109.8° | 110.6° |
| C18 | C19 | H26 | 109.8° | 110.5° |
| O1 | C5 | C19 | 104.8° | 104.8° |
| O1 | C5 | N4 | 108.7° | 110.4° |
| O1 | C5 | H4 | 110.0° | 110.4° |
| O6 | C9 | C8 | 112.4° | 110.5° |
| O6 | C9 | C10 | 112.0° | 110.5° |
| O6 | C9 | H10 | 111.4° | 110.5° |
| C9 | O6 | H11 | 109.5° | 114.0° |
| O3 | P1 | O5 | 111.1° | 109.5° |
| O3 | P1 | O4 | 116.7° | 109.5° |
| N8 | C16 | N7 | 116.7° | 119.0° |
| N8 | C16 | N9 | 119.5° | 119.1° |
| C16 | N8 | H22 | 120.0° | 120.0° |
| C16 | N8 | H23 | 120.0° | 120.0° |
| O8 | P2 | O9 | 119.4° | 109.5° |
| O8 | P2 | O7 | 107.6° | 109.4° |
| O8 | P2 | O10 | 110.5° | 109.5° |
| O9 | P2 | O7 | 109.9° | 109.5° |
| O9 | P2 | O10 | 107.2° | 109.5° |
| P2 | O9 | H15 | 109.5° | 114.0° |
| C16 | N7 | C15 | 125.0° | 120.3° |
| N7 | C16 | N9 | 123.7° | 121.9° |
| C16 | N7 | H21 | 117.5° | 119.8° |
| N7 | C15 | O18 | 120.6° | 120.9° |
| N7 | C15 | C14 | 111.5° | 118.4° |
| C15 | N7 | H21 | 117.5° | 119.9° |
| O5 | P1 | O4 | 106.7° | 109.4° |
| P1 | O5 | C8 | 116.4° | 123.0° |
| P1 | O4 | H8 | 109.5° | 114.0° |
| C16 | N9 | C17 | 112.3° | 121.2° |
| C5 | C19 | O20 | 112.3° | 110.6° |
| C19 | C5 | N4 | 115.7° | 110.4° |
| C19 | C5 | H4 | 108.4° | 110.3° |
| C5 | C19 | H26 | 109.9° | 110.4° |
| O20 | C19 | H26 | 111.6° | 110.5° |
| C19 | O20 | H27 | 109.5° | 114.0° |
| O18 | C15 | C14 | 127.9° | 120.8° |
| C5 | N4 | C2 | 124.7° | 126.3° |
| C5 | N4 | C4 | 128.8° | 126.2° |
| N4 | C5 | H4 | 109.1° | 110.4° |
| C8 | C9 | C10 | 100.8° | 104.1° |
| C9 | C8 | O5 | 108.9° | 110.5° |
| C9 | C8 | C12 | 102.8° | 104.1° |
| C9 | C8 | H9 | 111.0° | 110.6° |
| C8 | C9 | H10 | 110.0° | 110.5° |
| C9 | C10 | C11 | 116.0° | 110.4° |
| C9 | C10 | O17 | 103.4° | 104.8° |
| C10 | C9 | H10 | 109.8° | 110.5° |
| C9 | C10 | H12 | 108.6° | 110.3° |
| C15 | C14 | C17 | 119.7° | 118.6° |
| C15 | C14 | N6 | 129.7° | 134.2° |
| O5 | C8 | C12 | 110.6° | 110.5° |
| O5 | C8 | H9 | 112.4° | 110.5° |
| C8 | C12 | N5 | 113.7° | 110.4° |
| C8 | C12 | O17 | 107.6° | 104.8° |
| C12 | C8 | H9 | 110.9° | 110.5° |
| C8 | C12 | H19 | 107.8° | 110.3° |
| O7 | P2 | O10 | 100.8° | 109.5° |
| P2 | O7 | C11 | 120.8° | 123.0° |
| P2 | O10 | P3 | 137.2° | 134.0° |
| N9 | C17 | C14 | 127.8° | 119.6° |
| N9 | C17 | N5 | 126.4° | 134.2° |
| C17 | C14 | N6 | 110.7° | 107.2° |
| C14 | C17 | N5 | 105.8° | 106.1° |
| C14 | N6 | C13 | 104.1° | 109.3° |
| C17 | N5 | C13 | 105.8° | 107.5° |
| C17 | N5 | C12 | 128.9° | 126.3° |
| O7 | C11 | C10 | 109.1° | 109.5° |
| O7 | C11 | H13 | 109.6° | 109.5° |
| O7 | C11 | H14 | 109.6° | 109.5° |
| N6 | C13 | N5 | 113.6° | 109.8° |
| N6 | C13 | H20 | 123.2° | 125.1° |
| C1 | N2 | C2 | 112.1° | 121.1° |
| N2 | C1 | N1 | 119.5° | 119.1° |
| N2 | C1 | N10 | 123.2° | 121.9° |
| N2 | C2 | N4 | 125.4° | 134.2° |
| N2 | C2 | C3 | 128.7° | 119.7° |
| N1 | C1 | N10 | 117.2° | 119.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 119.9° |
| C13 | N5 | C12 | 125.3° | 126.2° |
| N5 | C13 | H20 | 123.2° | 125.1° |
| N5 | C12 | O17 | 109.7° | 110.4° |
| N5 | C12 | H19 | 108.6° | 110.4° |
| O12 | P3 | O10 | 110.7° | 109.5° |
| O12 | P3 | O11 | 119.4° | 109.5° |
| O12 | P3 | O13 | 107.5° | 109.5° |
| C2 | N4 | C4 | 106.5° | 107.5° |
| N4 | C2 | C3 | 105.9° | 106.1° |
| N4 | C4 | N3 | 112.5° | 109.8° |
| N4 | C4 | H3 | 123.8° | 125.2° |
| C12 | O17 | C10 | 109.0° | 105.3° |
| O17 | C12 | H19 | 109.3° | 110.4° |
| C11 | C10 | O17 | 109.9° | 110.4° |
| C11 | C10 | H12 | 109.0° | 110.3° |
| C10 | C11 | H13 | 109.6° | 109.5° |
| C10 | C11 | H14 | 109.6° | 109.4° |
| O17 | C10 | H12 | 109.7° | 110.5° |
| C1 | N10 | C20 | 125.4° | 120.3° |
| C1 | N10 | H28 | 117.3° | 119.9° |
| O10 | P3 | O11 | 107.7° | 109.4° |
| O10 | P3 | O13 | 99.3° | 109.5° |
| C2 | C3 | N3 | 110.6° | 107.3° |
| C2 | C3 | C20 | 119.0° | 118.7° |
| O14 | P4 | O13 | 105.0° | 109.5° |
| O14 | P4 | O16 | 112.3° | 109.5° |
| O14 | P4 | O15 | 113.2° | 109.4° |
| O11 | P3 | O13 | 110.4° | 109.5° |
| P3 | O11 | H16 | 109.5° | 114.0° |
| P3 | O13 | P4 | 128.8° | 134.0° |
| C4 | N3 | C3 | 104.4° | 109.3° |
| N3 | C4 | H3 | 123.7° | 125.1° |
| N10 | C20 | C3 | 111.5° | 118.3° |
| N10 | C20 | O21 | 120.4° | 120.8° |
| C20 | N10 | H28 | 117.3° | 119.8° |
| N3 | C3 | C20 | 130.4° | 134.1° |
| C3 | C20 | O21 | 128.0° | 120.9° |
| O13 | P4 | O16 | 108.0° | 109.5° |
| O13 | P4 | O15 | 104.8° | 109.5° |
| O16 | P4 | O15 | 112.7° | 109.5° |
| P4 | O16 | H18 | 109.5° | 114.0° |
| P4 | O15 | H17 | 109.5° | 114.0° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H22 | N8 | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | C6 | C7 | 137.6° | 98.6° |
| O19 | C18 | C6 | C19 | 118.5° | 118.5° |
| O19 | C18 | C6 | H24 | 124.5° | 122.6° |
| O19 | C18 | C6 | O1 | 101.0° | 142.6° |
| O19 | C18 | C19 | H24 | 122.9° | 122.7° |
| O19 | C18 | C19 | C5 | 85.5° | 118.7° |
| O19 | C18 | C19 | O20 | 34.0° | 0.0° |
| O19 | C18 | C6 | H5 | 15.8° | 23.7° |
| O19 | C18 | C19 | H26 | 158.9° | 122.7° |
| C6 | C7 | O2 | H6 | 120.1° | 120.1° |
| C6 | C7 | O2 | H7 | 120.1° | 120.0° |
| C7 | C6 | C18 | O1 | 121.4° | 118.7° |
| C7 | C6 | C18 | H5 | 121.8° | 122.3° |
| C7 | C6 | O1 | H5 | 118.6° | 122.3° |
| C6 | C7 | O2 | P1 | 106.0° | 180.0° |
| C7 | C6 | C18 | C19 | 103.9° | 142.8° |
| C7 | C6 | O1 | C5 | 134.2° | 159.3° |
| C6 | C7 | H6 | H7 | 119.7° | 120.0° |
| C7 | C6 | C18 | H24 | 13.0° | 24.0° |
| O2 | C7 | C6 | C18 | 160.8° | 175.0° |
| O2 | C7 | C6 | O1 | 41.5° | 69.6° |
| C7 | O2 | P1 | O3 | 134.5° | 55.0° |
| C7 | O2 | P1 | O5 | 108.8° | 175.0° |
| C7 | O2 | P1 | O4 | 4.7° | 65.1° |
| O2 | C7 | C6 | H5 | 77.5° | 52.7° |
| O2 | C7 | H6 | H7 | 119.8° | 119.9° |
| C18 | C6 | O1 | H5 | 116.0° | 118.9° |
| C6 | C18 | C19 | H24 | 116.8° | 118.7° |
| C18 | C6 | O1 | C5 | 8.7° | 40.5° |
| C6 | C18 | C19 | C5 | 34.7° | 0.2° |
| C6 | C18 | C19 | O20 | 154.2° | 118.6° |
| C18 | C6 | C7 | H6 | 79.1° | 55.0° |
| C18 | C6 | C7 | H7 | 40.7° | 65.0° |
| C6 | C18 | O19 | H25 | 180.0° | 180.0° |
| C6 | C18 | C19 | H26 | 80.9° | 118.7° |
| O1 | C6 | C18 | C19 | 17.5° | 24.1° |
| C6 | O1 | C5 | C19 | 31.8° | 40.5° |
| C6 | O1 | C5 | N4 | 156.1° | 159.3° |
| C6 | O1 | C5 | H4 | 84.5° | 78.4° |
| O1 | C6 | C7 | H6 | 161.5° | 170.3° |
| O1 | C6 | C7 | H7 | 78.6° | 50.3° |
| O1 | C6 | C18 | H24 | 134.5° | 94.7° |
| O2 | P1 | O3 | O5 | 110.1° | 120.0° |
| O2 | P1 | O3 | O4 | 127.2° | 120.0° |
| O2 | P1 | O5 | O4 | 117.6° | 120.0° |
| O2 | P1 | O5 | C8 | 96.2° | 175.0° |
| P1 | O2 | C7 | H6 | 133.9° | 59.9° |
| P1 | O2 | C7 | H7 | 14.0° | 60.1° |
| O2 | P1 | O4 | H8 | 125.0° | 59.9° |
| C18 | C19 | C5 | O1 | 41.2° | 23.8° |
| C18 | C19 | C5 | O20 | 119.6° | 118.7° |
| C18 | C19 | C5 | H26 | 115.6° | 118.6° |
| C18 | C19 | O20 | H26 | 123.9° | 122.7° |
| C18 | C19 | C5 | N4 | 161.0° | 142.7° |
| C18 | C19 | C5 | H4 | 76.1° | 95.0° |
| C19 | C18 | C6 | H5 | 134.3° | 94.8° |
| C19 | C18 | O19 | H25 | 65.6° | 65.4° |
| C18 | C19 | O20 | H27 | 180.0° | 61.4° |
| O1 | C5 | C19 | N4 | 119.7° | 118.9° |
| O1 | C5 | C19 | H4 | 117.4° | 118.9° |
| O1 | C5 | C19 | O20 | 160.9° | 142.6° |
| O1 | C5 | N4 | H4 | 119.9° | 122.3° |
| O1 | C5 | N4 | C2 | 95.4° | 158.0° |
| O1 | C5 | N4 | C4 | 85.0° | 22.0° |
| C5 | O1 | C6 | H5 | 107.3° | 78.4° |
| O1 | C5 | C19 | H26 | 74.3° | 94.8° |
| O6 | C9 | C8 | C10 | 119.4° | 118.6° |
| O6 | C9 | C8 | H10 | 124.7° | 122.7° |
| O6 | C9 | C10 | H10 | 124.3° | 122.7° |
| O6 | C9 | C8 | O5 | 37.4° | 0.0° |
| O6 | C9 | C8 | C12 | 154.7° | 118.7° |
| O6 | C9 | C10 | C11 | 79.9° | 98.5° |
| O6 | C9 | C10 | O17 | 159.7° | 142.6° |
| O6 | C9 | C8 | H9 | 86.7° | 122.7° |
| O6 | C9 | C10 | H12 | 43.1° | 23.7° |
| O3 | P1 | O5 | O4 | 128.3° | 120.0° |
| O3 | P1 | O5 | C8 | 17.9° | 55.0° |
| O3 | P1 | O4 | H8 | 0.0° | 180.0° |
| N8 | C16 | N7 | N9 | 179.7° | 180.0° |
| N8 | C16 | N7 | C15 | 179.7° | 180.0° |
| N8 | C16 | N9 | C17 | 179.6° | 179.9° |
| N8 | C16 | N7 | H21 | 0.3° | 0.1° |
| C16 | N8 | H22 | H23 | 180.0° | 179.9° |
| O8 | P2 | O9 | O7 | 124.9° | 120.0° |
| O8 | P2 | O9 | O10 | 126.4° | 120.0° |
| O8 | P2 | O7 | O10 | 115.7° | 120.0° |
| O8 | P2 | O7 | C11 | 72.1° | 55.0° |
| O8 | P2 | O10 | P3 | 78.9° | 40.0° |
| O8 | P2 | O9 | H15 | 0.0° | 180.0° |
| O9 | P2 | O7 | O10 | 112.9° | 120.0° |
| O9 | P2 | O7 | C11 | 156.5° | 65.0° |
| O9 | P2 | O10 | P3 | 52.7° | 80.0° |
| C16 | N7 | C15 | H21 | 180.0° | 180.0° |
| C16 | N7 | C15 | O18 | 178.8° | 180.0° |
| C16 | N7 | C15 | C14 | 0.6° | 0.0° |
| N7 | C16 | N9 | C17 | 0.1° | 0.1° |
| N7 | C16 | N8 | H22 | 179.7° | 0.0° |
| N7 | C16 | N8 | H23 | 0.3° | 179.9° |
| C15 | N7 | C16 | N9 | 0.6° | 0.0° |
| N7 | C15 | O18 | C14 | 179.2° | 180.0° |
| N7 | C15 | C14 | C17 | 0.0° | 0.0° |
| N7 | C15 | C14 | N6 | 179.9° | 179.5° |
| P1 | O5 | C8 | C9 | 146.6° | 125.3° |
| P1 | O5 | C8 | C12 | 101.2° | 120.0° |
| O5 | P1 | O4 | H8 | 124.9° | 60.0° |
| P1 | O5 | C8 | H9 | 23.3° | 2.6° |
| O4 | P1 | O5 | C8 | 146.2° | 65.0° |
| C16 | N9 | C17 | C14 | 0.8° | 0.0° |
| C16 | N9 | C17 | N5 | 179.8° | 180.0° |
| N9 | C16 | N7 | H21 | 179.4° | 179.9° |
| N9 | C16 | N8 | H22 | 0.0° | 180.0° |
| N9 | C16 | N8 | H23 | 180.0° | 0.1° |
| C5 | C19 | O20 | H26 | 123.8° | 122.6° |
| C19 | C5 | N4 | H4 | 122.5° | 122.2° |
| C19 | C5 | N4 | C2 | 147.0° | 86.6° |
| C19 | C5 | N4 | C4 | 32.6° | 93.4° |
| C5 | C19 | C18 | H24 | 151.5° | 118.6° |
| C5 | C19 | O20 | H27 | 67.8° | 176.1° |
| O20 | C19 | C5 | N4 | 79.4° | 98.5° |
| O20 | C19 | C5 | H4 | 43.5° | 23.7° |
| O20 | C19 | C18 | H24 | 89.0° | 122.6° |
| O18 | C15 | C14 | C17 | 179.3° | 180.0° |
| O18 | C15 | C14 | N6 | 0.6° | 0.5° |
| O18 | C15 | N7 | H21 | 1.2° | 0.0° |
| C5 | N4 | C2 | N2 | 0.4° | 0.1° |
| C5 | N4 | C2 | C4 | 179.7° | 180.0° |
| C5 | N4 | C2 | C3 | 179.8° | 180.0° |
| C5 | N4 | C4 | N3 | 179.6° | 180.0° |
| C5 | N4 | C4 | H3 | 0.4° | 0.1° |
| N4 | C5 | C19 | H26 | 45.4° | 24.1° |
| C8 | C9 | C10 | H10 | 116.0° | 118.7° |
| C9 | C8 | O5 | C12 | 112.2° | 114.7° |
| C9 | C8 | O5 | H9 | 123.4° | 122.7° |
| C9 | C8 | C12 | H9 | 118.6° | 118.7° |
| C9 | C8 | C12 | N5 | 102.7° | 142.8° |
| C9 | C8 | C12 | O17 | 19.0° | 23.9° |
| C8 | C9 | C10 | C11 | 160.3° | 142.9° |
| C8 | C9 | C10 | O17 | 40.0° | 24.0° |
| C8 | C9 | O6 | H11 | 180.0° | 179.9° |
| C8 | C9 | C10 | H12 | 76.6° | 94.9° |
| C9 | C8 | C12 | H19 | 136.8° | 94.9° |
| C10 | C9 | C8 | O5 | 82.0° | 118.6° |
| C10 | C9 | C8 | C12 | 35.3° | 0.0° |
| C9 | C10 | C11 | O7 | 36.9° | 175.0° |
| C9 | C10 | O17 | C12 | 29.6° | 40.5° |
| C9 | C10 | C11 | O17 | 116.8° | 115.4° |
| C9 | C10 | C11 | H12 | 122.9° | 122.2° |
| C9 | C10 | O17 | H12 | 115.8° | 118.9° |
| C10 | C9 | C8 | H9 | 153.8° | 118.7° |
| C10 | C9 | O6 | H11 | 67.3° | 65.3° |
| C9 | C10 | C11 | H13 | 156.9° | 55.0° |
| C9 | C10 | C11 | H14 | 83.0° | 65.0° |
| C15 | C14 | C17 | N9 | 0.8° | 0.0° |
| C15 | C14 | C17 | N6 | 179.9° | 179.6° |
| C15 | C14 | C17 | N5 | 180.0° | 180.0° |
| C15 | C14 | N6 | C13 | 179.8° | 179.8° |
| C14 | C15 | N7 | H21 | 179.4° | 180.0° |
| O5 | C8 | C12 | H9 | 125.3° | 122.6° |
| O5 | C8 | C12 | N5 | 141.2° | 98.5° |
| O5 | C8 | C12 | O17 | 97.1° | 142.6° |
| O5 | C8 | C9 | H10 | 162.2° | 122.7° |
| O5 | C8 | C12 | H19 | 20.7° | 23.8° |
| C8 | C12 | N5 | C17 | 72.4° | 84.7° |
| C8 | C12 | N5 | C13 | 106.6° | 95.0° |
| C8 | C12 | N5 | O17 | 120.5° | 115.4° |
| C8 | C12 | N5 | H19 | 120.0° | 122.2° |
| C8 | C12 | O17 | H19 | 116.8° | 118.8° |
| C8 | C12 | O17 | C10 | 6.7° | 40.5° |
| C12 | C8 | C9 | H10 | 80.6° | 118.7° |
| P2 | O7 | C11 | C10 | 143.4° | 180.0° |
| O7 | P2 | O10 | P3 | 167.6° | 160.0° |
| P2 | O7 | C11 | H13 | 96.6° | 59.9° |
| P2 | O7 | C11 | H14 | 23.5° | 60.1° |
| O7 | P2 | O9 | H15 | 124.9° | 60.0° |
| O10 | P2 | O7 | C11 | 43.6° | 175.0° |
| P2 | O10 | P3 | O12 | 15.3° | 40.0° |
| P2 | O10 | P3 | O11 | 116.9° | 80.0° |
| P2 | O10 | P3 | O13 | 128.1° | 160.0° |
| O10 | P2 | O9 | H15 | 126.4° | 60.0° |
| N9 | C17 | C14 | N5 | 179.2° | 180.0° |
| N9 | C17 | C14 | N6 | 179.2° | 179.6° |
| N9 | C17 | N5 | C13 | 179.5° | 179.6° |
| N9 | C17 | N5 | C12 | 1.4° | 0.1° |
| C17 | C14 | N6 | C13 | 0.3° | 0.2° |
| C14 | C17 | N5 | C13 | 0.2° | 0.4° |
| C14 | C17 | N5 | C12 | 179.4° | 179.8° |
| N6 | C14 | C17 | N5 | 0.0° | 0.4° |
| C14 | N6 | C13 | N5 | 0.4° | 0.0° |
| C14 | N6 | C13 | H20 | 179.6° | 179.9° |
| C17 | N5 | C13 | N6 | 0.5° | 0.3° |
| C17 | N5 | C13 | C12 | 179.2° | 179.8° |
| C17 | N5 | C12 | O17 | 48.1° | 159.9° |
| C17 | N5 | C12 | H19 | 167.6° | 37.5° |
| C17 | N5 | C13 | H20 | 179.6° | 179.8° |
| O7 | C11 | C10 | H13 | 119.9° | 120.1° |
| O7 | C11 | C10 | H14 | 119.9° | 120.0° |
| O7 | C11 | C10 | O17 | 153.8° | 69.5° |
| O7 | C11 | C10 | H12 | 85.9° | 52.8° |
| O7 | C11 | H13 | H14 | 120.2° | 120.0° |
| N6 | C13 | N5 | H20 | 180.0° | 179.9° |
| N6 | C13 | N5 | C12 | 179.7° | 180.0° |
| N2 | C1 | N1 | N10 | 179.9° | 179.7° |
| C1 | N2 | C2 | N4 | 179.7° | 180.0° |
| C1 | N2 | C2 | C3 | 0.1° | 0.2° |
| N2 | C1 | N10 | C20 | 0.2° | 0.6° |
| N2 | C1 | N1 | H1 | 0.0° | 179.7° |
| N2 | C1 | N1 | H2 | 180.0° | 0.0° |
| N2 | C1 | N10 | H28 | 179.8° | 179.7° |
| C2 | N2 | C1 | N1 | 180.0° | 179.9° |
| N2 | C2 | N4 | C3 | 179.8° | 179.9° |
| N2 | C2 | N4 | C4 | 179.9° | 179.9° |
| C2 | N2 | C1 | N10 | 0.1° | 0.4° |
| N2 | C2 | C3 | N3 | 179.9° | 179.9° |
| N2 | C2 | C3 | C20 | 0.1° | 0.1° |
| N1 | C1 | N10 | C20 | 179.8° | 179.7° |
| C1 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C1 | N10 | H28 | 0.2° | 0.0° |
| C13 | N5 | C12 | O17 | 132.9° | 20.4° |
| C13 | N5 | C12 | H19 | 13.4° | 142.7° |
| N5 | C12 | O17 | H19 | 119.0° | 122.4° |
| N5 | C12 | O17 | C10 | 130.9° | 159.3° |
| N5 | C12 | C8 | H9 | 15.9° | 24.1° |
| C12 | N5 | C13 | H20 | 0.3° | 0.1° |
| O12 | P3 | O10 | O11 | 132.2° | 120.0° |
| O12 | P3 | O10 | O13 | 112.8° | 120.0° |
| O12 | P3 | O11 | O13 | 125.3° | 120.0° |
| O12 | P3 | O13 | P4 | 64.1° | 45.0° |
| O12 | P3 | O11 | H16 | 0.0° | 180.0° |
| C2 | N4 | C4 | N3 | 0.0° | 0.0° |
| N4 | C2 | C3 | N3 | 0.3° | 0.1° |
| N4 | C2 | C3 | C20 | 179.7° | 180.0° |
| C2 | N4 | C4 | H3 | 180.0° | 180.0° |
| C2 | N4 | C5 | H4 | 24.5° | 35.6° |
| C4 | N4 | C2 | C3 | 0.2° | 0.1° |
| N4 | C4 | N3 | H3 | 180.0° | 179.9° |
| N4 | C4 | N3 | C3 | 0.2° | 0.0° |
| C4 | N4 | C5 | H4 | 155.1° | 144.4° |
| C12 | O17 | C10 | C11 | 154.0° | 159.3° |
| O17 | C12 | C8 | H9 | 137.6° | 94.8° |
| C12 | O17 | C10 | H12 | 86.2° | 78.4° |
| C11 | C10 | O17 | H12 | 119.8° | 122.3° |
| C11 | C10 | C9 | H10 | 44.4° | 24.2° |
| C10 | C11 | H13 | H14 | 120.2° | 120.0° |
| O17 | C10 | C9 | H10 | 76.0° | 94.7° |
| O17 | C10 | C11 | H13 | 86.3° | 170.4° |
| O17 | C10 | C11 | H14 | 33.9° | 50.4° |
| C10 | O17 | C12 | H19 | 110.1° | 78.3° |
| C1 | N10 | C20 | H28 | 180.0° | 179.7° |
| C1 | N10 | C20 | C3 | 0.2° | 0.6° |
| C1 | N10 | C20 | O21 | 179.6° | 179.8° |
| N10 | C1 | N1 | H1 | 179.9° | 0.0° |
| N10 | C1 | N1 | H2 | 0.1° | 179.7° |
| O10 | P3 | O11 | O13 | 107.5° | 120.0° |
| O10 | P3 | O13 | P4 | 51.2° | 165.0° |
| O10 | P3 | O11 | H16 | 127.3° | 60.0° |
| C2 | C3 | N3 | C4 | 0.3° | 0.0° |
| C2 | C3 | C20 | N10 | 0.2° | 0.4° |
| C2 | C3 | N3 | C20 | 180.0° | 179.9° |
| C2 | C3 | C20 | O21 | 179.5° | 180.0° |
| O14 | P4 | O13 | P3 | 5.5° | 45.0° |
| O14 | P4 | O13 | O16 | 120.1° | 120.0° |
| O14 | P4 | O13 | O15 | 119.5° | 120.0° |
| O14 | P4 | O16 | O15 | 129.3° | 119.9° |
| O14 | P4 | O15 | H17 | 0.0° | 60.0° |
| O14 | P4 | O16 | H18 | 0.0° | 180.0° |
| O11 | P3 | O13 | P4 | 164.1° | 75.0° |
| P3 | O13 | P4 | O16 | 125.6° | 75.0° |
| P3 | O13 | P4 | O15 | 114.0° | 165.0° |
| O13 | P3 | O11 | H16 | 125.3° | 60.0° |
| C4 | N3 | C3 | C20 | 179.7° | 179.9° |
| N10 | C20 | C3 | N3 | 179.9° | 179.7° |
| N10 | C20 | C3 | O21 | 179.3° | 179.7° |
| N3 | C3 | C20 | O21 | 0.6° | 0.1° |
| C3 | N3 | C4 | H3 | 179.8° | 179.9° |
| C3 | C20 | N10 | H28 | 179.8° | 179.7° |
| O13 | P4 | O16 | O15 | 115.3° | 120.0° |
| O13 | P4 | O15 | H17 | 113.9° | 180.0° |
| O13 | P4 | O16 | H18 | 115.4° | 60.0° |
| O16 | P4 | O15 | H17 | 128.9° | 60.0° |
| O15 | P4 | O16 | H18 | 129.3° | 60.1° |
| O21 | C20 | N10 | H28 | 0.4° | 0.0° |
| H4 | C5 | C19 | H26 | 168.3° | 146.4° |
| H5 | C6 | C7 | H6 | 42.5° | 67.3° |
| H5 | C6 | C7 | H7 | 162.3° | 172.6° |
| H5 | C6 | C18 | H24 | 108.8° | 146.4° |
| H9 | C8 | C9 | H10 | 38.0° | 0.0° |
| H9 | C8 | C12 | H19 | 104.6° | 146.4° |
| H10 | C9 | O6 | H11 | 56.1° | 57.4° |
| H10 | C9 | C10 | H12 | 167.4° | 146.4° |
| H12 | C10 | C11 | H13 | 34.0° | 67.3° |
| H12 | C10 | C11 | H14 | 154.1° | 172.8° |
| H24 | C18 | O19 | H25 | 56.4° | 57.4° |
| H24 | C18 | C19 | H26 | 35.9° | 0.1° |
| H26 | C19 | O20 | H27 | 56.1° | 61.3° |
