BKG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O3B | sing | 1.60Å | 1.62Å | |
| PB | O5' | sing | 1.59Å | 1.76Å | |
| PB | O1B | doub | 1.48Å | 1.70Å | |
| PB | O2B | sing | 1.52Å | 1.66Å | |
| O3B | PA | sing | 1.60Å | 1.63Å | |
| O3A | C10 | sing | 1.45Å | 1.40Å | |
| O3A | PA | sing | 1.59Å | 1.72Å | |
| PA | O1A | doub | 1.48Å | 1.70Å | |
| PA | O2A | sing | 1.53Å | 1.67Å | |
| O5' | C5' | sing | 1.45Å | 1.38Å | |
| C5' | C4' | sing | 1.51Å | 1.56Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O4' | C1' | sing | 1.42Å | 1.41Å | |
| C3' | O3' | sing | 1.42Å | 1.40Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | O2' | sing | 1.41Å | 1.39Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| N9 | C4 | sing | 1.38Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.45Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.35Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| N1 | C2 | doub | 1.33Å | 1.35Å | |
| C2 | N2 | sing | 1.34Å | 1.40Å | |
| C2 | N3 | sing | 1.36Å | 1.37Å | |
| N3 | C4 | sing | 1.38Å | 1.35Å | |
| C10 | C11 | sing | 1.54Å | 1.56Å | |
| C11 | O11 | sing | 1.45Å | 1.41Å | |
| C11 | C12 | sing | 1.52Å | 1.53Å | |
| O11 | C23 | sing | 1.44Å | 1.40Å | |
| C12 | S12 | sing | 1.68Å | 1.80Å | |
| C12 | C13 | doub | 1.34Å | 1.37Å | |
| S12 | MO | sing | 2.40Å | 2.56Å | |
| C13 | S13 | sing | 1.68Å | 1.79Å | |
| C13 | C14 | sing | 1.52Å | 1.49Å | |
| S13 | MO | sing | 2.39Å | 2.46Å | |
| C14 | C23 | sing | 1.57Å | 1.54Å | |
| C14 | N15 | sing | 1.46Å | 1.44Å | |
| N15 | C16 | sing | 1.38Å | 1.42Å | |
| C16 | C17 | sing | 1.44Å | 1.41Å | |
| C16 | C21 | doub | 1.41Å | 1.39Å | |
| C17 | N18 | sing | 1.39Å | 1.36Å | |
| C17 | O17 | doub | 1.22Å | 1.24Å | |
| N18 | C19 | sing | 1.37Å | 1.33Å | |
| C19 | N19 | sing | 1.33Å | 1.41Å | |
| C19 | N20 | doub | 1.34Å | 1.37Å | |
| N20 | C21 | sing | 1.36Å | 1.36Å | |
| C21 | N22 | sing | 1.36Å | 1.43Å | |
| N22 | C23 | sing | 1.46Å | 1.45Å | |
| PB1 | O2 | doub | 1.48Å | 1.71Å | |
| PB1 | O3 | sing | 1.60Å | 1.61Å | |
| PB1 | O8 | sing | 1.59Å | 1.70Å | |
| PB1 | O1 | sing | 1.53Å | 1.71Å | |
| O3 | PA1 | sing | 1.60Å | 1.61Å | |
| O4 | C18 | sing | 1.44Å | 1.39Å | |
| O4 | PA1 | sing | 1.59Å | 1.72Å | |
| PA1 | O5 | doub | 1.48Å | 1.72Å | |
| PA1 | O7 | sing | 1.52Å | 1.69Å | |
| O8 | C1 | sing | 1.45Å | 1.38Å | |
| C1 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | O9 | sing | 1.45Å | 1.39Å | |
| C3 | C7 | sing | 1.54Å | 1.50Å | |
| O9 | C15 | sing | 1.42Å | 1.42Å | |
| C7 | C9 | sing | 1.54Å | 1.51Å | |
| C7 | O10 | sing | 1.43Å | 1.39Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C9 | O12 | sing | 1.41Å | 1.42Å | |
| C15 | N91 | sing | 1.47Å | 1.48Å | |
| N91 | C41 | sing | 1.38Å | 1.34Å | Aromatic |
| N91 | C81 | sing | 1.37Å | 1.34Å | Aromatic |
| C81 | N71 | doub | 1.31Å | 1.33Å | Aromatic |
| N71 | C51 | sing | 1.39Å | 1.34Å | Aromatic |
| C51 | C61 | sing | 1.42Å | 1.41Å | |
| C51 | C41 | doub | 1.38Å | 1.34Å | Aromatic |
| C61 | O61 | doub | 1.24Å | 1.23Å | |
| C61 | N11 | sing | 1.39Å | 1.37Å | |
| N11 | C22 | sing | 1.38Å | 1.37Å | |
| C22 | N21 | sing | 1.35Å | 1.40Å | |
| C22 | N31 | doub | 1.33Å | 1.35Å | |
| N31 | C41 | sing | 1.36Å | 1.37Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.52Å | 1.49Å | |
| C20 | O13 | sing | 1.44Å | 1.38Å | |
| O13 | C31 | sing | 1.44Å | 1.41Å | |
| C24 | S1 | sing | 1.67Å | 1.80Å | |
| C24 | C25 | doub | 1.34Å | 1.37Å | |
| S1 | MO | sing | 2.40Å | 2.56Å | |
| C25 | S2 | sing | 1.68Å | 1.79Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| S2 | MO | sing | 2.42Å | 2.47Å | |
| C26 | N4 | sing | 1.47Å | 1.47Å | |
| C26 | C31 | sing | 1.56Å | 1.55Å | |
| N4 | C27 | sing | 1.39Å | 1.43Å | |
| C27 | C28 | sing | 1.45Å | 1.40Å | |
| C27 | C30 | doub | 1.41Å | 1.40Å | |
| C28 | O14 | doub | 1.23Å | 1.23Å | |
| C28 | N5 | sing | 1.39Å | 1.35Å | |
| N5 | C29 | sing | 1.37Å | 1.37Å | |
| C29 | N6 | sing | 1.33Å | 1.43Å | |
| C29 | N8 | doub | 1.33Å | 1.35Å | |
| N8 | C30 | sing | 1.36Å | 1.36Å | |
| C30 | N10 | sing | 1.36Å | 1.43Å | |
| N10 | C31 | sing | 1.46Å | 1.46Å | |
| MO | OT1 | doub | 1.97Å | 1.83Å | |
| MO | OT2 | doub | 1.97Å | 1.78Å | |
| O2B | H1 | sing | 0.89Å | 0.95Å | |
| O2A | H2 | sing | 0.89Å | 0.95Å | |
| C5' | H3 | sing | 0.99Å | 1.10Å | |
| C5' | H4 | sing | 0.99Å | 1.10Å | |
| C4' | H5 | sing | 0.99Å | 1.10Å | |
| C3' | H6 | sing | 0.99Å | 1.10Å | |
| O3' | H7 | sing | 0.84Å | 0.95Å | |
| C2' | H8 | sing | 0.99Å | 1.10Å | |
| O2' | H9 | sing | 0.84Å | 0.95Å | |
| C1' | H10 | sing | 1.02Å | 1.10Å | |
| C8 | H11 | sing | 0.94Å | 1.08Å | |
| N2 | H12 | sing | 0.88Å | 1.00Å | |
| N2 | H13 | sing | 0.88Å | 1.00Å | |
| N3 | H14 | sing | 0.89Å | 1.00Å | |
| C10 | H15 | sing | 0.98Å | 1.10Å | |
| C10 | H16 | sing | 0.98Å | 1.10Å | |
| C11 | H17 | sing | 0.99Å | 1.10Å | |
| C14 | H20 | sing | 0.99Å | 1.10Å | |
| N15 | H21 | sing | 0.87Å | 1.00Å | |
| N19 | H24 | sing | 0.88Å | 1.00Å | |
| N19 | H25 | sing | 0.88Å | 1.00Å | |
| N22 | H26 | sing | 0.88Å | 1.00Å | |
| C23 | H27 | sing | 0.99Å | 1.10Å | |
| O1 | H28 | sing | 0.89Å | 0.95Å | |
| O7 | H29 | sing | 0.89Å | 0.95Å | |
| C1 | H30 | sing | 0.99Å | 1.10Å | |
| C1 | H31 | sing | 0.99Å | 1.10Å | |
| C3 | H32 | sing | 0.99Å | 1.10Å | |
| C7 | H33 | sing | 0.99Å | 1.10Å | |
| O10 | H34 | sing | 0.84Å | 0.95Å | |
| C9 | H35 | sing | 0.99Å | 1.10Å | |
| O12 | H36 | sing | 0.84Å | 0.95Å | |
| C15 | H37 | sing | 1.02Å | 1.10Å | |
| C81 | H38 | sing | 0.94Å | 1.08Å | |
| N11 | H39 | sing | 0.89Å | 1.00Å | |
| N21 | H40 | sing | 0.88Å | 1.00Å | |
| N21 | H41 | sing | 0.88Å | 1.00Å | |
| C18 | H42 | sing | 0.98Å | 1.10Å | |
| C18 | H43 | sing | 0.98Å | 1.10Å | |
| C20 | H44 | sing | 0.99Å | 1.10Å | |
| C26 | H46 | sing | 0.99Å | 1.10Å | |
| N4 | H47 | sing | 0.87Å | 1.00Å | |
| N5 | H50 | sing | 0.88Å | 1.00Å | |
| N6 | H51 | sing | 0.88Å | 1.00Å | |
| N6 | H52 | sing | 0.88Å | 1.00Å | |
| C31 | H53 | sing | 0.99Å | 1.10Å | |
| H18 | N18 | sing | 0.88Å | 1.00Å | |
| H22 | N10 | sing | 0.88Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3B | PB | O5' | 99.6° | 108.5° |
| O3B | PB | O1B | 103.4° | 108.2° |
| O3B | PB | O2B | 108.9° | 103.8° |
| PB | O3B | PA | 146.6° | 128.5° |
| O5' | PB | O1B | 108.0° | 115.3° |
| O5' | PB | O2B | 115.0° | 106.9° |
| PB | O5' | C5' | 115.3° | 119.7° |
| O1B | PB | O2B | 119.4° | 113.4° |
| PB | O2B | H1 | 109.5° | 113.4° |
| O3B | PA | O3A | 103.8° | 106.9° |
| O3B | PA | O1A | 101.5° | 109.0° |
| O3B | PA | O2A | 109.5° | 103.5° |
| C10 | O3A | PA | 114.0° | 121.4° |
| O3A | C10 | C11 | 101.6° | 112.4° |
| O3A | C10 | H15 | 111.4° | 109.6° |
| O3A | C10 | H16 | 111.4° | 109.6° |
| O3A | PA | O1A | 110.8° | 114.5° |
| O3A | PA | O2A | 115.2° | 108.5° |
| O1A | PA | O2A | 114.6° | 113.6° |
| PA | O2A | H2 | 109.5° | 114.1° |
| O5' | C5' | C4' | 104.9° | 110.9° |
| O5' | C5' | H3 | 110.6° | 109.5° |
| O5' | C5' | H4 | 110.6° | 109.6° |
| C5' | C4' | O4' | 108.4° | 109.6° |
| C5' | C4' | C3' | 106.9° | 115.8° |
| C4' | C5' | H3 | 110.6° | 109.2° |
| C4' | C5' | H4 | 110.6° | 109.5° |
| C5' | C4' | H5 | 110.4° | 107.8° |
| O4' | C4' | C3' | 107.2° | 105.9° |
| C4' | O4' | C1' | 105.2° | 110.3° |
| O4' | C4' | H5 | 112.6° | 108.7° |
| C4' | C3' | O3' | 106.7° | 109.8° |
| C4' | C3' | C2' | 103.4° | 103.8° |
| C3' | C4' | H5 | 111.1° | 108.8° |
| C4' | C3' | H6 | 109.8° | 111.2° |
| O4' | C1' | C2' | 102.1° | 104.6° |
| O4' | C1' | N9 | 102.6° | 109.7° |
| O4' | C1' | H10 | 113.8° | 109.9° |
| O3' | C3' | C2' | 115.0° | 113.4° |
| O3' | C3' | H6 | 111.6° | 109.1° |
| C3' | O3' | H7 | 109.5° | 110.6° |
| C3' | C2' | C1' | 100.3° | 101.6° |
| C3' | C2' | O2' | 112.6° | 112.5° |
| C2' | C3' | H6 | 109.8° | 109.5° |
| C3' | C2' | H8 | 110.8° | 110.3° |
| C1' | C2' | O2' | 109.0° | 111.8° |
| C2' | C1' | N9 | 112.4° | 114.4° |
| C1' | C2' | H8 | 110.6° | 109.8° |
| C2' | C1' | H10 | 111.9° | 109.3° |
| O2' | C2' | H8 | 112.8° | 110.5° |
| C2' | O2' | H9 | 109.5° | 110.3° |
| C1' | N9 | C4 | 127.0° | 125.8° |
| C1' | N9 | C8 | 127.9° | 128.5° |
| N9 | C1' | H10 | 113.2° | 108.9° |
| C4 | N9 | C8 | 105.1° | 105.7° |
| N9 | C4 | C5 | 109.7° | 106.0° |
| N9 | C4 | N3 | 127.2° | 134.8° |
| N9 | C8 | N7 | 111.4° | 113.8° |
| N9 | C8 | H11 | 124.3° | 123.1° |
| C8 | N7 | C5 | 105.0° | 104.5° |
| N7 | C8 | H11 | 124.3° | 123.1° |
| N7 | C5 | C6 | 133.4° | 132.5° |
| N7 | C5 | C4 | 108.8° | 110.0° |
| C6 | C5 | C4 | 117.8° | 117.5° |
| C5 | C6 | N1 | 119.2° | 120.1° |
| C5 | C6 | O6 | 127.4° | 122.8° |
| C5 | C4 | N3 | 123.1° | 119.2° |
| N1 | C6 | O6 | 113.4° | 117.1° |
| C6 | N1 | C2 | 122.3° | 120.3° |
| N1 | C2 | N2 | 119.8° | 119.7° |
| N1 | C2 | N3 | 119.0° | 122.1° |
| N2 | C2 | N3 | 121.2° | 118.1° |
| C2 | N2 | H12 | 120.0° | 119.7° |
| C2 | N2 | H13 | 120.0° | 121.1° |
| C2 | N3 | C4 | 118.6° | 120.8° |
| C2 | N3 | H14 | 120.7° | 118.7° |
| C4 | N3 | H14 | 120.7° | 120.5° |
| C10 | C11 | O11 | 108.3° | 110.1° |
| C10 | C11 | C12 | 109.1° | 113.7° |
| C11 | C10 | H15 | 111.4° | 108.7° |
| C11 | C10 | H16 | 111.4° | 108.8° |
| C10 | C11 | H17 | 109.1° | 106.9° |
| O11 | C11 | C12 | 109.8° | 111.5° |
| C11 | O11 | C23 | 106.6° | 124.6° |
| O11 | C11 | H17 | 111.1° | 108.4° |
| C11 | C12 | S12 | 116.7° | 121.1° |
| C11 | C12 | C13 | 119.9° | 120.6° |
| C12 | C11 | H17 | 109.4° | 106.0° |
| O11 | C23 | C14 | 107.8° | 112.4° |
| O11 | C23 | N22 | 110.0° | 105.8° |
| O11 | C23 | H27 | 110.1° | 108.0° |
| S12 | C12 | C13 | 118.2° | 118.2° |
| C12 | S12 | MO | 108.3° | 109.4° |
| C12 | C13 | S13 | 121.2° | 121.3° |
| C12 | C13 | C14 | 117.0° | 121.4° |
| S12 | MO | S13 | 79.1° | 79.7° |
| S12 | MO | S1 | 150.5° | 154.3° |
| S12 | MO | S2 | 92.6° | 80.1° |
| S12 | MO | OT1 | 63.1° | 65.8° |
| S12 | MO | OT2 | 82.6° | 94.6° |
| S13 | C13 | C14 | 117.7° | 117.0° |
| C13 | S13 | MO | 109.9° | 107.9° |
| C13 | C14 | C23 | 111.6° | 113.8° |
| C13 | C14 | N15 | 112.0° | 104.8° |
| C13 | C14 | H20 | 105.4° | 108.4° |
| S13 | MO | S1 | 84.7° | 94.6° |
| S13 | MO | S2 | 110.2° | 83.0° |
| S13 | MO | OT1 | 76.6° | 90.3° |
| S13 | MO | OT2 | 158.5° | 173.6° |
| C23 | C14 | N15 | 116.0° | 114.4° |
| C14 | C23 | N22 | 111.3° | 115.3° |
| C23 | C14 | H20 | 104.9° | 107.1° |
| C14 | C23 | H27 | 108.2° | 108.0° |
| C14 | N15 | C16 | 116.9° | 123.4° |
| N15 | C14 | H20 | 106.0° | 108.1° |
| C14 | N15 | H21 | 107.6° | 119.2° |
| N15 | C16 | C17 | 122.8° | 120.9° |
| N15 | C16 | C21 | 117.0° | 119.9° |
| C16 | N15 | H21 | 107.6° | 117.4° |
| C17 | C16 | C21 | 120.2° | 119.1° |
| C16 | C17 | N18 | 119.4° | 115.2° |
| C16 | C17 | O17 | 119.5° | 125.2° |
| C16 | C21 | N20 | 117.6° | 122.3° |
| C16 | C21 | N22 | 122.3° | 121.4° |
| N18 | C17 | O17 | 121.0° | 119.6° |
| C17 | N18 | C19 | 120.0° | 122.3° |
| C17 | N18 | H18 | 120.0° | 118.5° |
| N18 | C19 | N19 | 121.7° | 117.9° |
| N18 | C19 | N20 | 121.5° | 122.9° |
| C19 | N18 | H18 | 120.0° | 119.2° |
| N19 | C19 | N20 | 116.9° | 119.2° |
| C19 | N19 | H24 | 120.0° | 120.2° |
| C19 | N19 | H25 | 120.0° | 120.6° |
| C19 | N20 | C21 | 121.3° | 118.1° |
| N20 | C21 | N22 | 120.2° | 116.3° |
| C21 | N22 | C23 | 122.0° | 123.7° |
| C21 | N22 | H26 | 106.2° | 118.0° |
| C23 | N22 | H26 | 106.3° | 118.4° |
| N22 | C23 | H27 | 109.4° | 107.1° |
| O2 | PB1 | O3 | 106.2° | 108.9° |
| O2 | PB1 | O8 | 108.7° | 114.5° |
| O2 | PB1 | O1 | 113.7° | 113.5° |
| O3 | PB1 | O8 | 109.7° | 104.5° |
| O3 | PB1 | O1 | 105.6° | 104.7° |
| PB1 | O3 | PA1 | 141.9° | 132.2° |
| O8 | PB1 | O1 | 112.6° | 109.8° |
| PB1 | O8 | C1 | 116.3° | 124.4° |
| PB1 | O1 | H28 | 109.5° | 113.6° |
| O3 | PA1 | O4 | 104.3° | 105.8° |
| O3 | PA1 | O5 | 107.6° | 109.1° |
| O3 | PA1 | O7 | 106.5° | 104.5° |
| C18 | O4 | PA1 | 109.1° | 121.6° |
| O4 | C18 | C20 | 99.7° | 110.1° |
| O4 | C18 | H42 | 111.9° | 110.0° |
| O4 | C18 | H43 | 111.8° | 110.0° |
| O4 | PA1 | O5 | 111.0° | 115.0° |
| O4 | PA1 | O7 | 110.7° | 107.7° |
| O5 | PA1 | O7 | 115.9° | 113.9° |
| PA1 | O7 | H29 | 109.5° | 113.4° |
| O8 | C1 | C3 | 103.3° | 110.0° |
| O8 | C1 | H30 | 111.0° | 109.6° |
| O8 | C1 | H31 | 111.0° | 109.9° |
| C1 | C3 | O9 | 109.6° | 109.2° |
| C1 | C3 | C7 | 110.8° | 116.1° |
| C3 | C1 | H30 | 111.0° | 109.5° |
| C3 | C1 | H31 | 111.0° | 109.5° |
| C1 | C3 | H32 | 109.0° | 107.8° |
| O9 | C3 | C7 | 106.6° | 106.0° |
| C3 | O9 | C15 | 107.4° | 110.9° |
| O9 | C3 | H32 | 111.2° | 108.8° |
| C3 | C7 | C9 | 104.2° | 103.9° |
| C3 | C7 | O10 | 108.0° | 109.6° |
| C7 | C3 | H32 | 109.6° | 108.9° |
| C3 | C7 | H33 | 110.1° | 111.3° |
| O9 | C15 | C9 | 101.3° | 105.4° |
| O9 | C15 | N91 | 109.9° | 109.5° |
| O9 | C15 | H37 | 111.1° | 109.7° |
| C9 | C7 | O10 | 112.4° | 113.4° |
| C7 | C9 | C15 | 102.6° | 101.9° |
| C7 | C9 | O12 | 111.4° | 112.6° |
| C9 | C7 | H33 | 110.0° | 109.6° |
| C7 | C9 | H35 | 110.9° | 110.3° |
| O10 | C7 | H33 | 111.8° | 109.1° |
| C7 | O10 | H34 | 109.5° | 110.7° |
| C15 | C9 | O12 | 108.5° | 111.4° |
| C9 | C15 | N91 | 114.4° | 113.8° |
| C15 | C9 | H35 | 110.7° | 109.8° |
| C9 | C15 | H37 | 109.6° | 109.3° |
| O12 | C9 | H35 | 112.4° | 110.5° |
| C9 | O12 | H36 | 109.5° | 110.6° |
| C15 | N91 | C41 | 127.9° | 125.4° |
| C15 | N91 | C81 | 128.9° | 128.9° |
| N91 | C15 | H37 | 110.2° | 109.1° |
| C41 | N91 | C81 | 103.2° | 105.6° |
| N91 | C41 | C51 | 111.1° | 105.7° |
| N91 | C41 | N31 | 127.7° | 126.0° |
| N91 | C81 | N71 | 112.6° | 113.8° |
| N91 | C81 | H38 | 123.7° | 123.0° |
| C81 | N71 | C51 | 105.8° | 104.0° |
| N71 | C81 | H38 | 123.7° | 123.2° |
| N71 | C51 | C61 | 131.7° | 129.8° |
| N71 | C51 | C41 | 107.4° | 110.9° |
| C61 | C51 | C41 | 121.0° | 119.3° |
| C51 | C61 | O61 | 125.7° | 128.3° |
| C51 | C61 | N11 | 116.4° | 111.5° |
| C51 | C41 | N31 | 121.2° | 128.2° |
| O61 | C61 | N11 | 118.0° | 120.2° |
| C61 | N11 | C22 | 121.8° | 125.3° |
| C61 | N11 | H39 | 119.1° | 116.5° |
| N11 | C22 | N21 | 120.6° | 117.1° |
| N11 | C22 | N31 | 120.0° | 123.3° |
| C22 | N11 | H39 | 119.1° | 118.2° |
| N21 | C22 | N31 | 119.4° | 119.6° |
| C22 | N21 | H40 | 120.0° | 119.4° |
| C22 | N21 | H41 | 120.0° | 121.2° |
| C22 | N31 | C41 | 119.6° | 112.3° |
| C18 | C20 | C24 | 110.0° | 113.6° |
| C18 | C20 | O13 | 106.3° | 105.3° |
| C20 | C18 | H42 | 111.9° | 109.5° |
| C20 | C18 | H43 | 111.9° | 109.3° |
| C18 | C20 | H44 | 108.0° | 107.9° |
| C24 | C20 | O13 | 114.4° | 114.6° |
| C20 | C24 | S1 | 124.2° | 120.4° |
| C20 | C24 | C25 | 120.5° | 121.8° |
| C24 | C20 | H44 | 108.3° | 106.6° |
| C20 | O13 | C31 | 111.9° | 124.0° |
| O13 | C20 | H44 | 109.8° | 108.7° |
| O13 | C31 | C26 | 110.8° | 112.5° |
| O13 | C31 | N10 | 106.1° | 106.9° |
| O13 | C31 | H53 | 111.3° | 108.7° |
| S1 | C24 | C25 | 113.6° | 117.7° |
| C24 | S1 | MO | 117.4° | 114.7° |
| C24 | C25 | S2 | 114.8° | 118.2° |
| C24 | C25 | C26 | 120.8° | 121.8° |
| S1 | MO | S2 | 70.0° | 74.3° |
| S1 | MO | OT1 | 136.2° | 139.7° |
| S1 | MO | OT2 | 116.6° | 89.4° |
| S2 | C25 | C26 | 120.5° | 120.0° |
| C25 | S2 | MO | 118.2° | 113.9° |
| C25 | C26 | N4 | 106.9° | 112.5° |
| C25 | C26 | C31 | 106.9° | 110.1° |
| C25 | C26 | H46 | 109.9° | 108.0° |
| S2 | MO | OT1 | 153.8° | 145.9° |
| S2 | MO | OT2 | 81.7° | 93.2° |
| N4 | C26 | C31 | 113.8° | 111.3° |
| C26 | N4 | C27 | 114.7° | 122.6° |
| N4 | C26 | H46 | 110.1° | 107.9° |
| C26 | N4 | H47 | 108.2° | 119.5° |
| C26 | C31 | N10 | 108.5° | 111.8° |
| C31 | C26 | H46 | 109.1° | 106.8° |
| C26 | C31 | H53 | 109.4° | 108.9° |
| N4 | C27 | C28 | 122.5° | 121.9° |
| N4 | C27 | C30 | 119.1° | 119.1° |
| C27 | N4 | H47 | 108.1° | 117.9° |
| C28 | C27 | C30 | 118.5° | 119.0° |
| C27 | C28 | O14 | 122.3° | 125.5° |
| C27 | C28 | N5 | 117.9° | 115.1° |
| C27 | C30 | N8 | 120.9° | 122.4° |
| C27 | C30 | N10 | 122.0° | 120.7° |
| O14 | C28 | N5 | 119.7° | 119.3° |
| C28 | N5 | C29 | 122.9° | 122.4° |
| C28 | N5 | H50 | 118.6° | 118.5° |
| N5 | C29 | N6 | 121.5° | 117.8° |
| N5 | C29 | N8 | 119.5° | 123.0° |
| C29 | N5 | H50 | 118.5° | 119.1° |
| N6 | C29 | N8 | 119.0° | 119.2° |
| C29 | N6 | H51 | 120.0° | 120.2° |
| C29 | N6 | H52 | 120.0° | 120.6° |
| C29 | N8 | C30 | 120.3° | 118.1° |
| N8 | C30 | N10 | 117.1° | 116.8° |
| C30 | N10 | C31 | 120.9° | 122.4° |
| C30 | N10 | H22 | 106.6° | 118.4° |
| N10 | C31 | H53 | 110.7° | 107.9° |
| C31 | N10 | H22 | 106.6° | 119.3° |
| OT1 | MO | OT2 | 85.2° | 90.0° |
| H3 | C5' | H4 | 109.4° | 108.1° |
| H12 | N2 | H13 | 120.0° | 119.2° |
| H15 | C10 | H16 | 109.5° | 107.6° |
| H24 | N19 | H25 | 120.0° | 119.2° |
| H30 | C1 | H31 | 109.5° | 108.3° |
| H40 | N21 | H41 | 120.0° | 119.3° |
| H42 | C18 | H43 | 109.5° | 107.8° |
| H51 | N6 | H52 | 120.0° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3B | PB | O5' | O1B | 107.6° | 121.6° |
| O3B | PB | O5' | O2B | 116.2° | 111.4° |
| O3B | PB | O1B | O2B | 121.1° | 114.6° |
| PB | O3B | PA | O3A | 163.4° | 153.9° |
| PB | O3B | PA | O1A | 81.6° | 81.8° |
| PB | O3B | PA | O2A | 39.9° | 39.4° |
| O3B | PB | O5' | C5' | 114.4° | 167.7° |
| O3B | PB | O2B | H1 | 118.3° | 178.6° |
| O5' | PB | O1B | O2B | 134.0° | 123.7° |
| O5' | PB | O3B | PA | 51.5° | 168.2° |
| PB | O5' | C5' | C4' | 145.0° | 152.2° |
| O5' | PB | O2B | H1 | 130.9° | 66.8° |
| PB | O5' | C5' | H3 | 95.7° | 87.2° |
| PB | O5' | C5' | H4 | 25.7° | 31.2° |
| O1B | PB | O3B | PA | 162.7° | 66.0° |
| O1B | PB | O5' | C5' | 138.0° | 46.2° |
| O1B | PB | O2B | H1 | 0.0° | 61.4° |
| O2B | PB | O3B | PA | 69.3° | 54.8° |
| O2B | PB | O5' | C5' | 1.7° | 80.9° |
| O3B | PA | O3A | C10 | 90.3° | 171.4° |
| O3B | PA | O3A | O1A | 108.3° | 120.9° |
| O3B | PA | O3A | O2A | 119.7° | 111.0° |
| O3B | PA | O1A | O2A | 117.9° | 114.8° |
| O3B | PA | O2A | H2 | 113.2° | 171.7° |
| C10 | O3A | PA | O1A | 161.5° | 67.8° |
| C10 | O3A | PA | O2A | 29.4° | 60.3° |
| O3A | C10 | C11 | H15 | 118.7° | 121.5° |
| O3A | C10 | C11 | H16 | 118.8° | 121.6° |
| O3A | C10 | C11 | O11 | 73.7° | 39.8° |
| O3A | C10 | C11 | C12 | 166.9° | 165.7° |
| O3A | C10 | H15 | H16 | 123.7° | 119.2° |
| O3A | C10 | C11 | H17 | 47.4° | 77.7° |
| O3A | PA | O1A | O2A | 132.4° | 125.5° |
| PA | O3A | C10 | C11 | 149.4° | 159.1° |
| O3A | PA | O2A | H2 | 130.3° | 75.0° |
| PA | O3A | C10 | H15 | 91.8° | 38.1° |
| PA | O3A | C10 | H16 | 30.7° | 79.8° |
| O1A | PA | O2A | H2 | 0.0° | 53.7° |
| O5' | C5' | C4' | H3 | 119.3° | 120.8° |
| O5' | C5' | C4' | H4 | 119.3° | 121.1° |
| O5' | C5' | C4' | O4' | 179.8° | 46.7° |
| O5' | C5' | C4' | C3' | 65.0° | 166.4° |
| O5' | C5' | H3 | H4 | 122.1° | 119.4° |
| O5' | C5' | C4' | H5 | 56.0° | 71.5° |
| C5' | C4' | O4' | C3' | 115.1° | 125.7° |
| C5' | C4' | O4' | H5 | 122.5° | 117.6° |
| C5' | C4' | C3' | H5 | 120.6° | 121.5° |
| C5' | C4' | O4' | C1' | 143.3° | 134.4° |
| C5' | C4' | C3' | O3' | 122.9° | 132.0° |
| C5' | C4' | C3' | C2' | 115.4° | 106.6° |
| C4' | C5' | H3 | H4 | 122.1° | 119.0° |
| C5' | C4' | C3' | H6 | 1.8° | 11.1° |
| O4' | C4' | C3' | H5 | 123.4° | 116.7° |
| O4' | C4' | C3' | O3' | 121.0° | 106.2° |
| O4' | C4' | C3' | C2' | 0.7° | 15.2° |
| C4' | O4' | C1' | C2' | 45.4° | 29.3° |
| C4' | O4' | C1' | N9 | 162.0° | 152.5° |
| O4' | C4' | C5' | H3 | 60.5° | 167.4° |
| O4' | C4' | C5' | H4 | 60.9° | 74.4° |
| O4' | C4' | C3' | H6 | 117.8° | 132.9° |
| C4' | O4' | C1' | H10 | 75.3° | 87.9° |
| C3' | C4' | O4' | C1' | 28.2° | 8.7° |
| C4' | C3' | O3' | C2' | 114.0° | 115.5° |
| C4' | C3' | O3' | H6 | 120.0° | 122.1° |
| C4' | C3' | C2' | H6 | 117.2° | 118.8° |
| C4' | C3' | C2' | C1' | 26.4° | 31.4° |
| C4' | C3' | C2' | O2' | 142.2° | 151.1° |
| C3' | C4' | C5' | H3 | 175.7° | 72.8° |
| C3' | C4' | C5' | H4 | 54.3° | 45.4° |
| C4' | C3' | O3' | H7 | 180.0° | 171.3° |
| C4' | C3' | C2' | H8 | 90.4° | 85.1° |
| O4' | C1' | C2' | C3' | 44.1° | 37.3° |
| O4' | C1' | C2' | N9 | 109.3° | 120.0° |
| O4' | C1' | C2' | H10 | 122.0° | 117.6° |
| O4' | C1' | C2' | O2' | 162.6° | 157.4° |
| O4' | C1' | N9 | H10 | 123.1° | 120.2° |
| O4' | C1' | N9 | C4 | 97.6° | 165.4° |
| O4' | C1' | N9 | C8 | 82.7° | 14.3° |
| C1' | O4' | C4' | H5 | 94.2° | 108.0° |
| O4' | C1' | C2' | H8 | 72.8° | 79.5° |
| O3' | C3' | C2' | H6 | 126.9° | 122.1° |
| O3' | C3' | C2' | C1' | 89.5° | 87.7° |
| O3' | C3' | C2' | O2' | 26.3° | 32.0° |
| O3' | C3' | C4' | H5 | 2.4° | 10.4° |
| O3' | C3' | C2' | H8 | 153.7° | 155.9° |
| C3' | C2' | C1' | O2' | 118.4° | 120.2° |
| C3' | C2' | C1' | H8 | 117.0° | 116.8° |
| C3' | C2' | O2' | H8 | 126.3° | 123.8° |
| C3' | C2' | C1' | N9 | 153.4° | 157.3° |
| C2' | C3' | C4' | H5 | 124.1° | 131.9° |
| C2' | C3' | O3' | H7 | 66.0° | 73.2° |
| C3' | C2' | O2' | H9 | 180.0° | 166.0° |
| C3' | C2' | C1' | H10 | 77.9° | 80.3° |
| C1' | C2' | O2' | H8 | 123.3° | 122.7° |
| C2' | C1' | N9 | H10 | 128.0° | 122.6° |
| C2' | C1' | N9 | C4 | 153.5° | 77.5° |
| C2' | C1' | N9 | C8 | 26.2° | 102.8° |
| C1' | C2' | C3' | H6 | 143.6° | 150.2° |
| C1' | C2' | O2' | H9 | 69.6° | 80.5° |
| O2' | C2' | C1' | N9 | 88.1° | 82.6° |
| O2' | C2' | C3' | H6 | 100.6° | 90.1° |
| O2' | C2' | C1' | H10 | 40.6° | 39.8° |
| C1' | N9 | C4 | C8 | 179.7° | 179.8° |
| C1' | N9 | C8 | N7 | 178.5° | 179.8° |
| C1' | N9 | C4 | C5 | 179.0° | 179.8° |
| C1' | N9 | C4 | N3 | 0.4° | 0.2° |
| N9 | C1' | C2' | H8 | 36.4° | 40.5° |
| C1' | N9 | C8 | H11 | 1.5° | 0.2° |
| C4 | N9 | C8 | N7 | 1.3° | 0.1° |
| N9 | C4 | C5 | N7 | 0.0° | 0.1° |
| N9 | C4 | C5 | C6 | 180.0° | 180.0° |
| N9 | C4 | C5 | N3 | 178.7° | 179.9° |
| N9 | C4 | N3 | C2 | 178.3° | 179.9° |
| C4 | N9 | C1' | H10 | 25.5° | 45.1° |
| C4 | N9 | C8 | H11 | 178.7° | 180.0° |
| N9 | C4 | N3 | H14 | 1.7° | 0.1° |
| N9 | C8 | N7 | H11 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.2° | 0.0° |
| C8 | N9 | C4 | C5 | 0.7° | 0.1° |
| C8 | N9 | C4 | N3 | 179.4° | 180.0° |
| C8 | N9 | C1' | H10 | 154.2° | 134.6° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| C8 | N7 | C5 | C4 | 0.7° | 0.0° |
| N7 | C5 | C6 | C4 | 179.9° | 180.0° |
| N7 | C5 | C6 | N1 | 178.8° | 180.0° |
| N7 | C5 | C6 | O6 | 1.7° | 0.0° |
| N7 | C5 | C4 | N3 | 178.7° | 180.0° |
| C5 | N7 | C8 | H11 | 178.7° | 180.0° |
| C5 | C6 | N1 | O6 | 179.5° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | N3 | 1.3° | 0.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.0° |
| C4 | C5 | C6 | O6 | 178.3° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C5 | C4 | N3 | H14 | 179.9° | 180.0° |
| C6 | N1 | C2 | N2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 1.8° | 0.1° |
| O6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C2 | N2 | N3 | 177.7° | 180.0° |
| N1 | C2 | N3 | C4 | 1.6° | 0.1° |
| N1 | C2 | N2 | H12 | 0.0° | 0.1° |
| N1 | C2 | N2 | H13 | 180.0° | 179.9° |
| N1 | C2 | N3 | H14 | 178.4° | 179.9° |
| N2 | C2 | N3 | C4 | 179.4° | 179.9° |
| C2 | N2 | H12 | H13 | 180.0° | 180.0° |
| N2 | C2 | N3 | H14 | 0.6° | 0.0° |
| C2 | N3 | C4 | H14 | 180.0° | 180.0° |
| N3 | C2 | N2 | H12 | 177.8° | 179.9° |
| N3 | C2 | N2 | H13 | 2.3° | 0.1° |
| C10 | C11 | O11 | C12 | 119.0° | 127.2° |
| C10 | C11 | O11 | H17 | 119.8° | 116.6° |
| C10 | C11 | C12 | H17 | 119.3° | 117.2° |
| C10 | C11 | O11 | C23 | 177.3° | 95.3° |
| C10 | C11 | C12 | S12 | 29.3° | 53.5° |
| C10 | C11 | C12 | C13 | 124.6° | 131.1° |
| C11 | C10 | H15 | H16 | 123.6° | 117.7° |
| O11 | C11 | C12 | H17 | 122.2° | 117.7° |
| O11 | C11 | C12 | S12 | 147.8° | 178.7° |
| O11 | C11 | C12 | C13 | 6.1° | 5.9° |
| C11 | O11 | C23 | C14 | 77.2° | 38.7° |
| C11 | O11 | C23 | N22 | 161.3° | 87.9° |
| O11 | C11 | C10 | H15 | 45.0° | 161.3° |
| O11 | C11 | C10 | H16 | 167.5° | 81.7° |
| C11 | O11 | C23 | H27 | 40.7° | 157.7° |
| C12 | C11 | O11 | C23 | 58.3° | 31.9° |
| C11 | C12 | S12 | C13 | 154.4° | 175.5° |
| C11 | C12 | S12 | MO | 169.7° | 161.4° |
| C11 | C12 | C13 | S13 | 175.9° | 152.7° |
| C11 | C12 | C13 | C14 | 27.2° | 33.1° |
| C12 | C11 | C10 | H15 | 74.4° | 72.8° |
| C12 | C11 | C10 | H16 | 48.1° | 44.2° |
| O11 | C23 | C14 | C13 | 41.5° | 9.6° |
| O11 | C23 | C14 | N22 | 120.7° | 121.4° |
| O11 | C23 | C14 | H27 | 119.0° | 119.0° |
| O11 | C23 | C14 | N15 | 88.3° | 130.1° |
| O11 | C23 | N22 | C21 | 114.8° | 123.3° |
| O11 | C23 | N22 | H27 | 121.0° | 115.0° |
| C23 | O11 | C11 | H17 | 62.9° | 148.1° |
| O11 | C23 | C14 | H20 | 155.1° | 110.2° |
| O11 | C23 | N22 | H26 | 6.9° | 56.8° |
| S12 | C12 | C13 | S13 | 22.4° | 22.8° |
| S12 | C12 | C13 | C14 | 179.2° | 151.4° |
| C12 | S12 | MO | S13 | 3.5° | 2.2° |
| C12 | S12 | MO | S1 | 61.5° | 81.1° |
| C12 | S12 | MO | S2 | 113.6° | 86.7° |
| C12 | S12 | MO | OT1 | 76.8° | 92.8° |
| C12 | S12 | MO | OT2 | 165.1° | 179.2° |
| S12 | C12 | C11 | H17 | 90.0° | 63.7° |
| C13 | C12 | S12 | MO | 15.3° | 14.1° |
| C12 | C13 | S13 | C14 | 156.7° | 174.5° |
| C12 | C13 | S13 | MO | 17.6° | 19.0° |
| C12 | C13 | C14 | C23 | 9.1° | 24.3° |
| C12 | C13 | C14 | N15 | 141.0° | 101.5° |
| C13 | C12 | C11 | H17 | 116.1° | 111.7° |
| C12 | C13 | C14 | H20 | 104.2° | 143.3° |
| S12 | MO | S13 | C13 | 5.2° | 6.9° |
| S12 | MO | S13 | S1 | 155.2° | 154.7° |
| S12 | MO | S13 | S2 | 88.8° | 81.1° |
| S12 | MO | S13 | OT1 | 64.7° | 65.3° |
| S12 | MO | S13 | OT2 | 32.3° | 27.3° |
| S12 | MO | S1 | C24 | 45.2° | 14.5° |
| S12 | MO | S1 | S2 | 57.0° | 5.7° |
| S12 | MO | S1 | OT1 | 121.1° | 171.5° |
| S12 | MO | S1 | OT2 | 126.3° | 99.3° |
| S12 | MO | S2 | C25 | 135.3° | 176.6° |
| S12 | MO | S2 | OT1 | 21.5° | 0.7° |
| S12 | MO | S2 | OT2 | 82.2° | 94.1° |
| S12 | MO | OT1 | OT2 | 84.2° | 95.0° |
| S13 | C13 | C14 | C23 | 166.8° | 161.2° |
| S13 | C13 | C14 | N15 | 61.3° | 73.0° |
| C13 | S13 | MO | S1 | 150.0° | 147.8° |
| C13 | S13 | MO | S2 | 83.6° | 74.3° |
| C13 | S13 | MO | OT1 | 69.9° | 72.2° |
| C13 | S13 | MO | OT2 | 37.5° | 20.4° |
| S13 | C13 | C14 | H20 | 53.5° | 42.2° |
| C14 | C13 | S13 | MO | 174.3° | 155.5° |
| C13 | C14 | C23 | N15 | 129.8° | 120.5° |
| C13 | C14 | C23 | H20 | 113.7° | 119.8° |
| C13 | C14 | N15 | H20 | 114.4° | 115.4° |
| C13 | C14 | N15 | C16 | 176.1° | 108.5° |
| C13 | C14 | C23 | N22 | 162.2° | 111.8° |
| C13 | C14 | N15 | H21 | 55.0° | 71.6° |
| C13 | C14 | C23 | H27 | 77.5° | 128.6° |
| S13 | MO | S1 | C24 | 102.0° | 90.2° |
| S13 | MO | S1 | S2 | 113.8° | 81.4° |
| S13 | MO | S1 | OT1 | 64.3° | 95.8° |
| S13 | MO | S1 | OT2 | 177.0° | 174.9° |
| S13 | MO | S2 | C25 | 55.9° | 102.7° |
| S13 | MO | S2 | OT1 | 100.8° | 80.0° |
| S13 | MO | S2 | OT2 | 161.5° | 174.8° |
| S13 | MO | OT1 | OT2 | 168.6° | 173.6° |
| C23 | C14 | N15 | H20 | 116.0° | 119.2° |
| C23 | C14 | N15 | C16 | 46.5° | 16.9° |
| C14 | C23 | N22 | C21 | 4.6° | 1.6° |
| C14 | C23 | N22 | H27 | 119.6° | 120.1° |
| C23 | C14 | N15 | H21 | 74.6° | 163.1° |
| C14 | C23 | N22 | H26 | 126.3° | 178.3° |
| C14 | N15 | C16 | H21 | 121.1° | 180.0° |
| C14 | N15 | C16 | C17 | 150.2° | 168.7° |
| C14 | N15 | C16 | C21 | 29.7° | 14.2° |
| N15 | C14 | C23 | N22 | 32.4° | 8.7° |
| N15 | C14 | C23 | H27 | 152.7° | 110.9° |
| N15 | C16 | C17 | C21 | 180.0° | 177.1° |
| N15 | C16 | C17 | N18 | 179.3° | 179.4° |
| N15 | C16 | C17 | O17 | 0.5° | 2.7° |
| N15 | C16 | C21 | N20 | 179.8° | 179.6° |
| N15 | C16 | C21 | N22 | 0.6° | 2.4° |
| C16 | N15 | C14 | H20 | 69.5° | 136.1° |
| C16 | C17 | N18 | O17 | 178.8° | 178.1° |
| C16 | C17 | N18 | C19 | 0.6° | 1.4° |
| C17 | C16 | C21 | N20 | 0.2° | 2.5° |
| C17 | C16 | C21 | N22 | 179.3° | 179.5° |
| C17 | C16 | N15 | H21 | 88.7° | 11.3° |
| C16 | C17 | N18 | H18 | 179.4° | 179.1° |
| C21 | C16 | C17 | N18 | 0.7° | 2.3° |
| C21 | C16 | C17 | O17 | 179.5° | 179.7° |
| C16 | C21 | N20 | C19 | 1.2° | 1.4° |
| C16 | C21 | N20 | N22 | 179.1° | 178.1° |
| C16 | C21 | N22 | C23 | 11.7° | 5.3° |
| C21 | C16 | N15 | H21 | 91.3° | 165.7° |
| C16 | C21 | N22 | H26 | 110.0° | 174.6° |
| C17 | N18 | C19 | H18 | 180.0° | 179.6° |
| C17 | N18 | C19 | N19 | 179.3° | 179.6° |
| C17 | N18 | C19 | N20 | 0.5° | 0.4° |
| O17 | C17 | N18 | C19 | 179.4° | 179.4° |
| O17 | C17 | N18 | H18 | 0.6° | 1.0° |
| N18 | C19 | N19 | N20 | 178.9° | 180.0° |
| N18 | C19 | N20 | C21 | 1.4° | 0.4° |
| N18 | C19 | N19 | H24 | 178.9° | 179.9° |
| N18 | C19 | N19 | H25 | 1.1° | 0.0° |
| N19 | C19 | N20 | C21 | 179.7° | 179.6° |
| C19 | N19 | H24 | H25 | 180.0° | 180.0° |
| N19 | C19 | N18 | H18 | 0.7° | 0.0° |
| C19 | N20 | C21 | N22 | 179.6° | 179.6° |
| N20 | C19 | N19 | H24 | 0.0° | 0.1° |
| N20 | C19 | N19 | H25 | 180.0° | 180.0° |
| N20 | C19 | N18 | H18 | 179.5° | 180.0° |
| N20 | C21 | N22 | C23 | 167.4° | 172.9° |
| N20 | C21 | N22 | H26 | 70.9° | 7.2° |
| C21 | N22 | C23 | H26 | 121.7° | 179.9° |
| C21 | N22 | C23 | H27 | 124.2° | 121.7° |
| N22 | C23 | C14 | H20 | 84.1° | 128.4° |
| O2 | PB1 | O3 | O8 | 117.3° | 122.8° |
| O2 | PB1 | O3 | O1 | 121.1° | 121.7° |
| O2 | PB1 | O8 | O1 | 127.0° | 129.1° |
| O2 | PB1 | O3 | PA1 | 59.3° | 105.2° |
| O2 | PB1 | O8 | C1 | 167.2° | 90.6° |
| O2 | PB1 | O1 | H28 | 0.0° | 179.2° |
| O3 | PB1 | O8 | O1 | 117.3° | 111.9° |
| PB1 | O3 | PA1 | O4 | 162.7° | 150.8° |
| PB1 | O3 | PA1 | O5 | 44.8° | 84.9° |
| PB1 | O3 | PA1 | O7 | 80.2° | 37.3° |
| O3 | PB1 | O8 | C1 | 51.4° | 150.3° |
| O3 | PB1 | O1 | H28 | 116.1° | 60.6° |
| O8 | PB1 | O3 | PA1 | 58.0° | 132.0° |
| PB1 | O8 | C1 | C3 | 147.4° | 125.6° |
| O8 | PB1 | O1 | H28 | 124.3° | 51.2° |
| PB1 | O8 | C1 | H30 | 28.4° | 113.9° |
| PB1 | O8 | C1 | H31 | 93.7° | 5.0° |
| O1 | PB1 | O3 | PA1 | 179.6° | 16.6° |
| O1 | PB1 | O8 | C1 | 65.9° | 38.4° |
| O3 | PA1 | O4 | C18 | 70.5° | 172.8° |
| O3 | PA1 | O4 | O5 | 115.6° | 120.5° |
| O3 | PA1 | O4 | O7 | 114.2° | 111.3° |
| O3 | PA1 | O5 | O7 | 119.1° | 116.3° |
| O3 | PA1 | O7 | H29 | 119.7° | 178.4° |
| C18 | O4 | PA1 | O5 | 45.1° | 52.3° |
| C18 | O4 | PA1 | O7 | 175.3° | 75.9° |
| O4 | C18 | C20 | H42 | 118.4° | 121.1° |
| O4 | C18 | C20 | H43 | 118.4° | 121.0° |
| O4 | C18 | C20 | C24 | 151.2° | 149.7° |
| O4 | C18 | C20 | O13 | 84.5° | 84.1° |
| O4 | C18 | H42 | H43 | 124.6° | 120.0° |
| O4 | C18 | C20 | H44 | 33.3° | 31.9° |
| O4 | PA1 | O5 | O7 | 127.4° | 125.0° |
| PA1 | O4 | C18 | C20 | 179.6° | 153.3° |
| O4 | PA1 | O7 | H29 | 127.5° | 69.4° |
| PA1 | O4 | C18 | H42 | 62.1° | 32.5° |
| PA1 | O4 | C18 | H43 | 61.1° | 86.1° |
| O5 | PA1 | O7 | H29 | 0.0° | 59.4° |
| O8 | C1 | C3 | H30 | 119.0° | 120.6° |
| O8 | C1 | C3 | H31 | 119.0° | 120.9° |
| O8 | C1 | C3 | O9 | 53.7° | 57.8° |
| O8 | C1 | C3 | C7 | 63.7° | 177.4° |
| O8 | C1 | H30 | H31 | 122.9° | 119.9° |
| O8 | C1 | C3 | H32 | 175.6° | 60.2° |
| C1 | C3 | O9 | C7 | 120.0° | 125.7° |
| C1 | C3 | O9 | H32 | 120.5° | 117.4° |
| C1 | C3 | C7 | H32 | 120.3° | 121.8° |
| C1 | C3 | O9 | C15 | 151.3° | 129.7° |
| C1 | C3 | C7 | C9 | 125.1° | 103.5° |
| C1 | C3 | C7 | O10 | 115.2° | 135.0° |
| C3 | C1 | H30 | H31 | 122.8° | 119.3° |
| C1 | C3 | C7 | H33 | 7.1° | 14.2° |
| O9 | C3 | C7 | H32 | 120.5° | 116.8° |
| O9 | C3 | C7 | C9 | 5.9° | 17.8° |
| O9 | C3 | C7 | O10 | 125.6° | 103.6° |
| C3 | O9 | C15 | C9 | 43.0° | 24.4° |
| C3 | O9 | C15 | N91 | 164.3° | 147.1° |
| O9 | C3 | C1 | H30 | 172.7° | 178.4° |
| O9 | C3 | C1 | H31 | 65.3° | 63.1° |
| O9 | C3 | C7 | H33 | 112.0° | 135.6° |
| C3 | O9 | C15 | H37 | 73.3° | 93.2° |
| C7 | C3 | O9 | C15 | 31.3° | 3.9° |
| C3 | C7 | C9 | O10 | 116.7° | 118.9° |
| C3 | C7 | C9 | H33 | 118.0° | 119.0° |
| C3 | C7 | O10 | H33 | 121.3° | 122.1° |
| C3 | C7 | C9 | C15 | 19.1° | 31.1° |
| C3 | C7 | C9 | O12 | 135.0° | 150.5° |
| C7 | C3 | C1 | H30 | 55.3° | 62.0° |
| C7 | C3 | C1 | H31 | 177.3° | 56.5° |
| C3 | C7 | O10 | H34 | 180.0° | 171.3° |
| C3 | C7 | C9 | H35 | 99.1° | 85.5° |
| O9 | C15 | C9 | C7 | 37.1° | 34.2° |
| O9 | C15 | C9 | N91 | 118.2° | 119.9° |
| O9 | C15 | C9 | H37 | 117.5° | 117.9° |
| O9 | C15 | C9 | O12 | 155.0° | 154.4° |
| O9 | C15 | N91 | H37 | 122.8° | 120.1° |
| O9 | C15 | N91 | C41 | 88.3° | 163.0° |
| O9 | C15 | N91 | C81 | 91.6° | 16.9° |
| C15 | O9 | C3 | H32 | 88.2° | 113.0° |
| O9 | C15 | C9 | H35 | 81.3° | 82.8° |
| C9 | C7 | O10 | H33 | 124.3° | 122.4° |
| C7 | C9 | C15 | O12 | 118.0° | 120.2° |
| C7 | C9 | C15 | H35 | 118.3° | 117.0° |
| C7 | C9 | O12 | H35 | 125.1° | 123.9° |
| C7 | C9 | C15 | N91 | 155.2° | 154.1° |
| C9 | C7 | C3 | H32 | 114.6° | 134.7° |
| C9 | C7 | O10 | H34 | 65.6° | 73.2° |
| C7 | C9 | O12 | H36 | 180.0° | 169.4° |
| C7 | C9 | C15 | H37 | 80.4° | 83.7° |
| O10 | C7 | C9 | C15 | 97.6° | 87.7° |
| O10 | C7 | C9 | O12 | 18.3° | 31.7° |
| O10 | C7 | C3 | H32 | 5.1° | 13.2° |
| O10 | C7 | C9 | H35 | 144.2° | 155.6° |
| C15 | C9 | O12 | H35 | 122.7° | 122.4° |
| C9 | C15 | N91 | H37 | 124.0° | 122.3° |
| C9 | C15 | N91 | C41 | 158.6° | 79.3° |
| C9 | C15 | N91 | C81 | 21.5° | 100.7° |
| C15 | C9 | C7 | H33 | 137.1° | 150.1° |
| C15 | C9 | O12 | H36 | 67.8° | 76.9° |
| O12 | C9 | C15 | N91 | 86.8° | 85.6° |
| O12 | C9 | C7 | H33 | 107.0° | 90.5° |
| O12 | C9 | C15 | H37 | 37.6° | 36.6° |
| C15 | N91 | C41 | C81 | 179.9° | 179.9° |
| C15 | N91 | C81 | N71 | 179.3° | 179.9° |
| C15 | N91 | C41 | C51 | 179.4° | 179.9° |
| C15 | N91 | C41 | N31 | 0.7° | 0.1° |
| N91 | C15 | C9 | H35 | 36.9° | 37.2° |
| C15 | N91 | C81 | H38 | 0.7° | 0.0° |
| C41 | N91 | C81 | N71 | 0.6° | 0.0° |
| N91 | C41 | C51 | N71 | 0.4° | 0.1° |
| N91 | C41 | C51 | C61 | 179.7° | 179.9° |
| N91 | C41 | C51 | N31 | 179.9° | 179.9° |
| N91 | C41 | N31 | C22 | 178.4° | 179.8° |
| C41 | N91 | C15 | H37 | 34.6° | 43.0° |
| C41 | N91 | C81 | H38 | 179.4° | 179.9° |
| N91 | C81 | N71 | H38 | 180.0° | 179.9° |
| N91 | C81 | N71 | C51 | 0.4° | 0.1° |
| C81 | N91 | C41 | C51 | 0.6° | 0.0° |
| C81 | N91 | C41 | N31 | 179.4° | 179.9° |
| C81 | N91 | C15 | H37 | 145.5° | 136.9° |
| C81 | N71 | C51 | C61 | 179.9° | 179.9° |
| C81 | N71 | C51 | C41 | 0.0° | 0.1° |
| N71 | C51 | C61 | C41 | 179.9° | 180.0° |
| N71 | C51 | C61 | O61 | 1.0° | 0.0° |
| N71 | C51 | C61 | N11 | 178.2° | 179.9° |
| N71 | C51 | C41 | N31 | 179.6° | 180.0° |
| C51 | N71 | C81 | H38 | 179.6° | 180.0° |
| C51 | C61 | O61 | N11 | 179.2° | 179.9° |
| C51 | C61 | N11 | C22 | 3.0° | 0.0° |
| C61 | C51 | C41 | N31 | 0.4° | 0.0° |
| C51 | C61 | N11 | H39 | 177.0° | 180.0° |
| C41 | C51 | C61 | O61 | 178.9° | 180.0° |
| C41 | C51 | C61 | N11 | 1.9° | 0.1° |
| C51 | C41 | N31 | C22 | 1.7° | 0.0° |
| O61 | C61 | N11 | C22 | 177.8° | 180.0° |
| O61 | C61 | N11 | H39 | 2.2° | 0.1° |
| C61 | N11 | C22 | H39 | 180.0° | 180.0° |
| C61 | N11 | C22 | N21 | 177.3° | 180.0° |
| C61 | N11 | C22 | N31 | 1.8° | 0.0° |
| N11 | C22 | N21 | N31 | 179.1° | 179.9° |
| N11 | C22 | N31 | C41 | 0.7° | 0.1° |
| N11 | C22 | N21 | H40 | 179.0° | 179.9° |
| N11 | C22 | N21 | H41 | 0.9° | 0.1° |
| N21 | C22 | N31 | C41 | 179.8° | 180.0° |
| N21 | C22 | N11 | H39 | 2.7° | 0.0° |
| C22 | N21 | H40 | H41 | 180.0° | 179.9° |
| N31 | C22 | N11 | H39 | 178.2° | 179.9° |
| N31 | C22 | N21 | H40 | 0.0° | 0.1° |
| N31 | C22 | N21 | H41 | 180.0° | 180.0° |
| C18 | C20 | C24 | O13 | 119.5° | 121.1° |
| C18 | C20 | C24 | H44 | 117.7° | 118.6° |
| C18 | C20 | O13 | H44 | 116.5° | 115.4° |
| C18 | C20 | O13 | C31 | 159.0° | 132.8° |
| C18 | C20 | C24 | S1 | 50.9° | 68.5° |
| C18 | C20 | C24 | C25 | 113.5° | 114.8° |
| C20 | C18 | H42 | H43 | 124.6° | 118.9° |
| C24 | C20 | O13 | H44 | 121.9° | 119.1° |
| C24 | C20 | O13 | C31 | 37.5° | 7.3° |
| C20 | C24 | S1 | C25 | 165.4° | 176.9° |
| C20 | C24 | S1 | MO | 165.5° | 165.3° |
| C20 | C24 | C25 | S2 | 176.9° | 170.5° |
| C20 | C24 | C25 | C26 | 19.0° | 9.4° |
| C24 | C20 | C18 | H42 | 90.4° | 28.6° |
| C24 | C20 | C18 | H43 | 32.9° | 89.3° |
| O13 | C20 | C24 | S1 | 170.4° | 170.4° |
| O13 | C20 | C24 | C25 | 6.0° | 6.3° |
| C20 | O13 | C31 | C26 | 68.8° | 33.3° |
| C20 | O13 | C31 | N10 | 173.6° | 156.4° |
| O13 | C20 | C18 | H42 | 33.9° | 154.8° |
| O13 | C20 | C18 | H43 | 157.2° | 36.9° |
| C20 | O13 | C31 | H53 | 53.1° | 87.4° |
| O13 | C31 | C26 | C25 | 52.3° | 44.1° |
| O13 | C31 | C26 | N4 | 65.5° | 81.4° |
| O13 | C31 | C26 | N10 | 116.1° | 120.3° |
| O13 | C31 | C26 | H53 | 123.1° | 120.6° |
| O13 | C31 | N10 | C30 | 90.1° | 90.6° |
| O13 | C31 | N10 | H53 | 120.9° | 116.8° |
| C31 | O13 | C20 | H44 | 84.4° | 111.8° |
| O13 | C31 | C26 | H46 | 171.1° | 161.1° |
| O13 | C31 | N10 | H22 | 31.6° | 89.6° |
| S1 | C24 | C25 | S2 | 17.2° | 6.3° |
| S1 | C24 | C25 | C26 | 175.0° | 173.8° |
| C24 | S1 | MO | S2 | 11.8° | 8.8° |
| C24 | S1 | MO | OT1 | 166.3° | 174.0° |
| C24 | S1 | MO | OT2 | 81.1° | 84.8° |
| S1 | C24 | C20 | H44 | 66.8° | 50.1° |
| C25 | C24 | S1 | MO | 0.2° | 11.6° |
| C24 | C25 | S2 | C26 | 157.9° | 179.9° |
| C24 | C25 | S2 | MO | 29.5° | 1.7° |
| C24 | C25 | C26 | N4 | 112.6° | 90.2° |
| C24 | C25 | C26 | C31 | 9.7° | 34.6° |
| C25 | C24 | C20 | H44 | 128.8° | 126.6° |
| C24 | C25 | C26 | H46 | 127.9° | 150.8° |
| S1 | MO | S2 | C25 | 20.3° | 5.9° |
| S1 | MO | S2 | OT1 | 177.0° | 176.8° |
| S1 | MO | S2 | OT2 | 122.3° | 88.4° |
| S1 | MO | OT1 | OT2 | 124.1° | 89.0° |
| S2 | C25 | C26 | N4 | 90.9° | 89.9° |
| S2 | C25 | C26 | C31 | 146.9° | 145.3° |
| C25 | S2 | MO | OT1 | 156.7° | 177.3° |
| C25 | S2 | MO | OT2 | 142.6° | 82.5° |
| S2 | C25 | C26 | H46 | 28.6° | 29.1° |
| C26 | C25 | S2 | MO | 172.7° | 178.2° |
| C25 | C26 | N4 | C31 | 117.8° | 124.1° |
| C25 | C26 | N4 | H46 | 119.3° | 119.1° |
| C25 | C26 | C31 | H46 | 118.8° | 117.1° |
| C25 | C26 | N4 | C27 | 166.7° | 153.3° |
| C25 | C26 | C31 | N10 | 168.4° | 164.4° |
| C25 | C26 | N4 | H47 | 45.9° | 26.9° |
| C25 | C26 | C31 | H53 | 70.8° | 76.5° |
| S2 | MO | OT1 | OT2 | 60.0° | 95.8° |
| N4 | C26 | C31 | H46 | 123.4° | 117.5° |
| C26 | N4 | C27 | H47 | 120.8° | 179.8° |
| C26 | N4 | C27 | C28 | 156.9° | 171.0° |
| C26 | N4 | C27 | C30 | 22.7° | 8.5° |
| N4 | C26 | C31 | N10 | 50.6° | 38.9° |
| N4 | C26 | C31 | H53 | 171.4° | 158.1° |
| C31 | C26 | N4 | C27 | 48.9° | 29.2° |
| C26 | C31 | N10 | C30 | 29.0° | 32.9° |
| C26 | C31 | N10 | H53 | 120.0° | 119.7° |
| C31 | C26 | N4 | H47 | 71.9° | 151.0° |
| C26 | C31 | N10 | H22 | 150.7° | 146.9° |
| N4 | C27 | C28 | C30 | 179.6° | 179.6° |
| N4 | C27 | C28 | O14 | 0.4° | 0.5° |
| N4 | C27 | C28 | N5 | 178.1° | 179.6° |
| N4 | C27 | C30 | N8 | 179.3° | 179.3° |
| N4 | C27 | C30 | N10 | 0.2° | 2.1° |
| C27 | N4 | C26 | H46 | 74.0° | 87.6° |
| C27 | C28 | O14 | N5 | 177.7° | 179.1° |
| C27 | C28 | N5 | C29 | 1.9° | 0.6° |
| C28 | C27 | C30 | N8 | 1.1° | 1.1° |
| C28 | C27 | C30 | N10 | 179.4° | 178.4° |
| C28 | C27 | N4 | H47 | 82.3° | 8.8° |
| C27 | C28 | N5 | H50 | 178.1° | 179.7° |
| C30 | C27 | C28 | O14 | 180.0° | 179.1° |
| C30 | C27 | C28 | N5 | 2.3° | 0.1° |
| C27 | C30 | N8 | C29 | 0.7° | 1.4° |
| C27 | C30 | N8 | N10 | 179.6° | 177.4° |
| C27 | C30 | N10 | C31 | 5.0° | 12.1° |
| C30 | C27 | N4 | H47 | 98.1° | 171.7° |
| C27 | C30 | N10 | H22 | 126.6° | 167.7° |
| O14 | C28 | N5 | C29 | 179.7° | 179.8° |
| O14 | C28 | N5 | H50 | 0.3° | 0.6° |
| C28 | N5 | C29 | H50 | 180.0° | 179.6° |
| C28 | N5 | C29 | N6 | 179.4° | 179.7° |
| C28 | N5 | C29 | N8 | 0.2° | 0.3° |
| N5 | C29 | N6 | N8 | 179.6° | 180.0° |
| N5 | C29 | N8 | C30 | 1.2° | 0.7° |
| N5 | C29 | N6 | H51 | 179.6° | 180.0° |
| N5 | C29 | N6 | H52 | 0.4° | 0.0° |
| N6 | C29 | N8 | C30 | 179.2° | 179.3° |
| N6 | C29 | N5 | H50 | 0.6° | 0.1° |
| C29 | N6 | H51 | H52 | 180.0° | 180.0° |
| C29 | N8 | C30 | N10 | 178.9° | 178.8° |
| N8 | C29 | N5 | H50 | 179.8° | 180.0° |
| N8 | C29 | N6 | H51 | 0.0° | 0.0° |
| N8 | C29 | N6 | H52 | 180.0° | 180.0° |
| N8 | C30 | N10 | C31 | 174.6° | 165.3° |
| N8 | C30 | N10 | H22 | 52.9° | 14.8° |
| C30 | N10 | C31 | H22 | 121.6° | 179.8° |
| C30 | N10 | C31 | H53 | 149.1° | 152.6° |
| N10 | C31 | C26 | H46 | 72.8° | 78.6° |
| H3 | C5' | C4' | H5 | 63.3° | 49.3° |
| H4 | C5' | C4' | H5 | 175.3° | 167.5° |
| H5 | C4' | C3' | H6 | 118.7° | 110.4° |
| H6 | C3' | O3' | H7 | 60.0° | 49.2° |
| H6 | C3' | C2' | H8 | 26.8° | 33.8° |
| H8 | C2' | O2' | H9 | 53.7° | 42.2° |
| H8 | C2' | C1' | H10 | 165.1° | 162.9° |
| H15 | C10 | C11 | H17 | 166.1° | 43.8° |
| H16 | C10 | C11 | H17 | 71.4° | 160.8° |
| H20 | C14 | N15 | H21 | 169.5° | 43.9° |
| H20 | C14 | C23 | H27 | 36.1° | 8.8° |
| H26 | N22 | C23 | H27 | 114.1° | 58.2° |
| H30 | C1 | C3 | H32 | 65.4° | 60.4° |
| H31 | C1 | C3 | H32 | 56.6° | 178.9° |
| H32 | C3 | C7 | H33 | 127.4° | 107.6° |
| H33 | C7 | O10 | H34 | 58.7° | 49.2° |
| H33 | C7 | C9 | H35 | 18.9° | 33.5° |
| H35 | C9 | O12 | H36 | 54.9° | 45.5° |
| H35 | C9 | C15 | H37 | 161.3° | 159.4° |
| H42 | C18 | C20 | H44 | 151.7° | 89.2° |
| H43 | C18 | C20 | H44 | 85.0° | 152.8° |
| H46 | C26 | N4 | H47 | 165.3° | 92.2° |
| H46 | C26 | C31 | H53 | 48.0° | 40.5° |
| H53 | C31 | N10 | H22 | 89.3° | 27.2° |
