ZW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| MO | S13 | sing | 0.00Å | 2.41Å | |
| MO | S12 | sing | 0.00Å | 2.39Å | |
| MO | S2 | sing | 0.00Å | 2.34Å | |
| MO | S | sing | 0.00Å | 2.39Å | |
| MO | S1 | sing | 0.00Å | 2.42Å | |
| PB | O3B | sing | 0.00Å | 1.63Å | |
| PB | O1B | doub | 0.00Å | 1.49Å | |
| PB | O2B | sing | 0.00Å | 1.51Å | |
| PB | O5' | sing | 0.00Å | 1.64Å | |
| O3B | PA | sing | 0.00Å | 1.62Å | |
| O3A | C10 | sing | 0.00Å | 1.46Å | |
| O3A | PA | sing | 0.00Å | 1.64Å | |
| PA | O1A | doub | 0.00Å | 1.54Å | |
| PA | O2A | sing | 0.00Å | 1.47Å | |
| O5' | C5' | sing | 0.00Å | 1.42Å | |
| C5' | C4' | sing | 0.00Å | 1.53Å | |
| C4' | C3' | sing | 0.00Å | 1.56Å | |
| C4' | O4' | sing | 0.00Å | 1.44Å | |
| O4' | C1' | sing | 0.00Å | 1.43Å | |
| C3' | O3' | sing | 0.00Å | 1.45Å | |
| C3' | C2' | sing | 0.00Å | 1.52Å | |
| C2' | O2' | sing | 0.00Å | 1.48Å | |
| C2' | C1' | sing | 0.00Å | 1.50Å | |
| C1' | N9 | sing | 0.00Å | 1.45Å | |
| N9 | C4 | sing | 0.00Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 0.00Å | 1.45Å | Aromatic |
| C8 | N7 | doub | 0.00Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 0.00Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 0.00Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 0.00Å | 1.43Å | |
| C6 | O6 | doub | 0.00Å | 1.24Å | |
| C6 | N1 | sing | 0.00Å | 1.40Å | |
| N1 | C2 | sing | 0.00Å | 1.38Å | |
| C2 | N2 | sing | 0.00Å | 1.42Å | |
| C2 | N3 | doub | 0.00Å | 1.33Å | |
| N3 | C4 | sing | 0.00Å | 1.38Å | |
| C10 | C11 | sing | 0.00Å | 1.57Å | |
| C11 | O11 | sing | 0.00Å | 1.44Å | |
| C11 | C12 | sing | 0.00Å | 1.50Å | |
| O11 | C23 | sing | 0.00Å | 1.42Å | |
| C12 | C13 | doub | 0.00Å | 1.33Å | |
| C12 | S12 | sing | 0.00Å | 1.79Å | |
| C13 | C14 | sing | 0.00Å | 1.48Å | |
| C13 | S13 | sing | 0.00Å | 1.78Å | |
| C14 | C23 | sing | 0.00Å | 1.57Å | |
| C14 | N15 | sing | 0.00Å | 1.42Å | |
| N15 | C16 | sing | 0.00Å | 1.40Å | |
| C16 | C21 | doub | 0.00Å | 1.49Å | |
| C16 | C17 | sing | 0.00Å | 1.43Å | |
| C17 | N18 | doub | 0.00Å | 1.35Å | |
| C17 | O17 | doub | 0.00Å | 1.27Å | |
| N18 | C19 | sing | 0.00Å | 1.40Å | |
| C19 | N19 | sing | 0.00Å | 1.35Å | |
| C19 | N20 | sing | 0.00Å | 1.34Å | |
| N20 | C21 | sing | 0.00Å | 1.33Å | |
| C21 | N22 | sing | 0.00Å | 1.34Å | |
| N22 | C23 | sing | 0.00Å | 1.41Å | |
| PB1 | O2 | doub | 0.00Å | 1.51Å | |
| PB1 | O8 | sing | 0.00Å | 1.62Å | |
| PB1 | O1 | sing | 0.00Å | 1.51Å | |
| PB1 | O3 | sing | 0.00Å | 1.63Å | |
| O3 | PA1 | sing | 0.00Å | 1.61Å | |
| O4 | C18 | sing | 0.00Å | 1.47Å | |
| O4 | PA1 | sing | 0.00Å | 1.63Å | |
| PA1 | O5 | doub | 0.00Å | 1.52Å | |
| PA1 | O7 | sing | 0.00Å | 1.51Å | |
| O8 | C1 | sing | 0.00Å | 1.45Å | |
| C1 | C3 | sing | 0.00Å | 1.53Å | |
| C3 | O9 | sing | 0.00Å | 1.45Å | |
| C3 | C7 | sing | 0.00Å | 1.54Å | |
| O9 | C15 | sing | 0.00Å | 1.43Å | |
| C7 | C9 | sing | 0.00Å | 1.55Å | |
| C7 | O10 | sing | 0.00Å | 1.45Å | |
| C9 | C15 | sing | 0.00Å | 1.51Å | |
| C9 | O12 | sing | 0.00Å | 1.44Å | |
| C15 | N91 | sing | 0.00Å | 1.44Å | |
| N91 | C81 | sing | 0.00Å | 1.43Å | Aromatic |
| N91 | C41 | sing | 0.00Å | 1.37Å | Aromatic |
| C81 | N71 | doub | 0.00Å | 1.35Å | Aromatic |
| N71 | C51 | sing | 0.00Å | 1.39Å | Aromatic |
| C51 | C61 | sing | 0.00Å | 1.46Å | |
| C51 | C41 | doub | 0.00Å | 1.46Å | Aromatic |
| C61 | O61 | doub | 0.00Å | 1.23Å | |
| C61 | N11 | sing | 0.00Å | 1.35Å | |
| N11 | C22 | sing | 0.00Å | 1.36Å | |
| C22 | N31 | doub | 0.00Å | 1.36Å | |
| C22 | N21 | sing | 0.00Å | 1.34Å | |
| N31 | C41 | sing | 0.00Å | 1.35Å | |
| C18 | C20 | sing | 0.00Å | 1.53Å | |
| C20 | O13 | sing | 0.00Å | 1.44Å | |
| C20 | C24 | sing | 0.00Å | 1.52Å | |
| O13 | C31 | sing | 0.00Å | 1.44Å | |
| C24 | S1 | sing | 0.00Å | 1.74Å | |
| C24 | C25 | doub | 0.00Å | 1.35Å | |
| C25 | S2 | sing | 0.00Å | 1.75Å | |
| C25 | C26 | sing | 0.00Å | 1.50Å | |
| C26 | N4 | sing | 0.00Å | 1.50Å | |
| C26 | C31 | sing | 0.00Å | 1.53Å | |
| N4 | C27 | sing | 0.00Å | 1.38Å | |
| C27 | C28 | sing | 0.00Å | 1.43Å | |
| C27 | C30 | doub | 0.00Å | 1.42Å | |
| C28 | O14 | doub | 0.00Å | 1.23Å | |
| C28 | N5 | sing | 0.00Å | 1.37Å | |
| N5 | C29 | sing | 0.00Å | 1.33Å | |
| C29 | N6 | sing | 0.00Å | 1.35Å | |
| C29 | N8 | doub | 0.00Å | 1.39Å | |
| N8 | C30 | sing | 0.00Å | 1.34Å | |
| C30 | N10 | sing | 0.00Å | 1.37Å | |
| N10 | C31 | sing | 0.00Å | 1.47Å | |
| S | H1 | sing | 0.00Å | 1.30Å | |
| O2B | H2 | sing | 0.00Å | 0.95Å | |
| O2A | H3 | sing | 0.00Å | 0.95Å | |
| C5' | H4 | sing | 0.00Å | 1.10Å | |
| C5' | H5 | sing | 0.00Å | 1.10Å | |
| C4' | H6 | sing | 0.00Å | 1.10Å | |
| C3' | H7 | sing | 0.00Å | 1.10Å | |
| O3' | H8 | sing | 0.00Å | 0.95Å | |
| C2' | H9 | sing | 0.00Å | 1.10Å | |
| O2' | H10 | sing | 0.00Å | 0.95Å | |
| C1' | H11 | sing | 0.00Å | 1.10Å | |
| C8 | H12 | sing | 0.00Å | 1.08Å | |
| N1 | H13 | sing | 0.00Å | 1.00Å | |
| N2 | H14 | sing | 0.00Å | 1.00Å | |
| N2 | H15 | sing | 0.00Å | 1.00Å | |
| C10 | H16 | sing | 0.00Å | 1.10Å | |
| C10 | H17 | sing | 0.00Å | 1.10Å | |
| C11 | H18 | sing | 0.00Å | 1.10Å | |
| C14 | H19 | sing | 0.00Å | 1.10Å | |
| N15 | H20 | sing | 0.00Å | 1.00Å | |
| N15 | H21 | sing | 0.00Å | 1.00Å | |
| C16 | H22 | sing | 0.00Å | 1.10Å | |
| N19 | H23 | sing | 0.00Å | 1.00Å | |
| N19 | H24 | sing | 0.00Å | 1.00Å | |
| N22 | H25 | sing | 0.00Å | 1.00Å | |
| C23 | H26 | sing | 0.00Å | 1.10Å | |
| O1 | H27 | sing | 0.00Å | 0.95Å | |
| O7 | H28 | sing | 0.00Å | 0.95Å | |
| C1 | H29 | sing | 0.00Å | 1.10Å | |
| C1 | H30 | sing | 0.00Å | 1.10Å | |
| C3 | H31 | sing | 0.00Å | 1.10Å | |
| C7 | H32 | sing | 0.00Å | 1.10Å | |
| O10 | H33 | sing | 0.00Å | 0.95Å | |
| C9 | H34 | sing | 0.00Å | 1.10Å | |
| O12 | H35 | sing | 0.00Å | 0.95Å | |
| C15 | H36 | sing | 0.00Å | 1.10Å | |
| C81 | H37 | sing | 0.00Å | 1.08Å | |
| N11 | H38 | sing | 0.00Å | 1.00Å | |
| N21 | H39 | sing | 0.00Å | 1.00Å | |
| N21 | H40 | sing | 0.00Å | 1.00Å | |
| C18 | H41 | sing | 0.00Å | 1.10Å | |
| C18 | H42 | sing | 0.00Å | 1.10Å | |
| C20 | H43 | sing | 0.00Å | 1.10Å | |
| C26 | H44 | sing | 0.00Å | 1.10Å | |
| N6 | H45 | sing | 0.00Å | 1.00Å | |
| N6 | H46 | sing | 0.00Å | 1.00Å | |
| N10 | H47 | sing | 0.00Å | 1.00Å | |
| C31 | H48 | sing | 0.00Å | 1.10Å | |
| C19 | H49 | sing | 0.00Å | 1.10Å | |
| N20 | H50 | sing | 0.00Å | 1.00Å | |
| N4 | H51 | sing | 0.00Å | 1.00Å | |
| N5 | H52 | sing | 0.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S13 | MO | S12 | 79.6° | 90.0° |
| S13 | MO | S2 | 129.0° | 90.0° |
| S13 | MO | S | 135.3° | 90.0° |
| S13 | MO | S1 | 83.4° | 90.0° |
| MO | S13 | C13 | 110.1° | 90.0° |
| S12 | MO | S2 | 88.0° | 90.0° |
| S12 | MO | S | 87.3° | 90.0° |
| S12 | MO | S1 | 146.2° | 90.0° |
| MO | S12 | C12 | 110.5° | 90.0° |
| S2 | MO | S | 92.6° | 90.0° |
| S2 | MO | S1 | 80.4° | 90.0° |
| MO | S2 | C25 | 109.3° | 90.0° |
| S | MO | S1 | 124.6° | 90.0° |
| MO | S | H1 | 102.0° | 90.0° |
| MO | S1 | C24 | 110.4° | 90.0° |
| O3B | PB | O1B | 109.8° | 90.0° |
| O3B | PB | O2B | 104.5° | 90.0° |
| O3B | PB | O5' | 103.0° | 90.0° |
| PB | O3B | PA | 125.8° | 90.0° |
| O1B | PB | O2B | 117.4° | 90.0° |
| O1B | PB | O5' | 110.6° | 90.0° |
| O2B | PB | O5' | 110.4° | 90.0° |
| PB | O2B | H2 | 109.5° | 90.0° |
| PB | O5' | C5' | 118.9° | 90.0° |
| O3B | PA | O3A | 99.4° | 90.0° |
| O3B | PA | O1A | 106.0° | 90.0° |
| O3B | PA | O2A | 111.5° | 90.0° |
| C10 | O3A | PA | 116.3° | 90.0° |
| O3A | C10 | C11 | 102.4° | 90.0° |
| O3A | C10 | H16 | 111.2° | 90.0° |
| O3A | C10 | H17 | 111.2° | 90.0° |
| O3A | PA | O1A | 102.0° | 90.0° |
| O3A | PA | O2A | 115.7° | 90.0° |
| O1A | PA | O2A | 119.8° | 90.0° |
| PA | O2A | H3 | 109.5° | 90.0° |
| O5' | C5' | C4' | 106.8° | 90.0° |
| O5' | C5' | H4 | 110.1° | 90.0° |
| O5' | C5' | H5 | 110.1° | 90.0° |
| C5' | C4' | C3' | 112.7° | 90.0° |
| C5' | C4' | O4' | 105.9° | 90.0° |
| C4' | C5' | H4 | 110.1° | 90.0° |
| C4' | C5' | H5 | 110.1° | 90.0° |
| C5' | C4' | H6 | 108.6° | 90.0° |
| C3' | C4' | O4' | 111.6° | 90.0° |
| C4' | C3' | O3' | 108.9° | 90.0° |
| C4' | C3' | C2' | 98.5° | 90.0° |
| C3' | C4' | H6 | 108.2° | 90.0° |
| C4' | C3' | H7 | 111.6° | 90.0° |
| C4' | O4' | C1' | 102.4° | 90.0° |
| O4' | C4' | H6 | 109.7° | 90.0° |
| O4' | C1' | C2' | 105.0° | 90.0° |
| O4' | C1' | N9 | 109.2° | 90.0° |
| O4' | C1' | H11 | 109.3° | 90.0° |
| O3' | C3' | C2' | 111.4° | 90.0° |
| O3' | C3' | H7 | 113.3° | 90.0° |
| C3' | O3' | H8 | 109.5° | 90.0° |
| C3' | C2' | O2' | 116.2° | 90.0° |
| C3' | C2' | C1' | 104.6° | 90.0° |
| C2' | C3' | H7 | 112.2° | 90.0° |
| C3' | C2' | H9 | 107.8° | 90.0° |
| O2' | C2' | C1' | 111.7° | 90.0° |
| O2' | C2' | H9 | 108.3° | 90.0° |
| C2' | O2' | H10 | 109.5° | 90.0° |
| C2' | C1' | N9 | 115.6° | 90.0° |
| C1' | C2' | H9 | 108.0° | 90.0° |
| C2' | C1' | H11 | 108.4° | 90.0° |
| C1' | N9 | C4 | 120.5° | 90.0° |
| C1' | N9 | C8 | 125.4° | 90.0° |
| N9 | C1' | H11 | 109.1° | 90.0° |
| C4 | N9 | C8 | 103.5° | 90.0° |
| N9 | C4 | C5 | 110.8° | 90.0° |
| N9 | C4 | N3 | 124.0° | 90.0° |
| N9 | C8 | N7 | 111.1° | 90.0° |
| N9 | C8 | H12 | 124.5° | 90.0° |
| C8 | N7 | C5 | 107.6° | 90.0° |
| N7 | C8 | H12 | 124.4° | 90.0° |
| N7 | C5 | C4 | 106.5° | 90.0° |
| N7 | C5 | C6 | 133.5° | 90.0° |
| C4 | C5 | C6 | 120.0° | 90.0° |
| C5 | C4 | N3 | 125.1° | 90.0° |
| C5 | C6 | O6 | 119.8° | 90.0° |
| C5 | C6 | N1 | 112.5° | 90.0° |
| O6 | C6 | N1 | 127.4° | 90.0° |
| C6 | N1 | C2 | 123.4° | 90.0° |
| C6 | N1 | H13 | 118.3° | 90.0° |
| N1 | C2 | N2 | 115.4° | 90.0° |
| N1 | C2 | N3 | 125.8° | 90.0° |
| C2 | N1 | H13 | 118.3° | 90.0° |
| N2 | C2 | N3 | 118.4° | 90.0° |
| C2 | N2 | H14 | 120.0° | 90.0° |
| C2 | N2 | H15 | 120.0° | 90.0° |
| C2 | N3 | C4 | 112.9° | 90.0° |
| C10 | C11 | O11 | 106.5° | 90.0° |
| C10 | C11 | C12 | 111.9° | 90.0° |
| C11 | C10 | H16 | 111.2° | 90.0° |
| C11 | C10 | H17 | 111.2° | 90.0° |
| C10 | C11 | H18 | 109.4° | 90.0° |
| O11 | C11 | C12 | 107.5° | 90.0° |
| C11 | O11 | C23 | 111.5° | 90.0° |
| O11 | C11 | H18 | 111.2° | 90.0° |
| C11 | C12 | C13 | 122.9° | 90.0° |
| C11 | C12 | S12 | 117.8° | 90.0° |
| C12 | C11 | H18 | 110.3° | 90.0° |
| O11 | C23 | C14 | 111.0° | 90.0° |
| O11 | C23 | N22 | 108.3° | 90.0° |
| O11 | C23 | H26 | 108.7° | 90.0° |
| C13 | C12 | S12 | 119.3° | 90.0° |
| C12 | C13 | C14 | 123.6° | 90.0° |
| C12 | C13 | S13 | 119.4° | 90.0° |
| C14 | C13 | S13 | 116.6° | 90.0° |
| C13 | C14 | C23 | 108.2° | 90.0° |
| C13 | C14 | N15 | 110.1° | 90.0° |
| C13 | C14 | H19 | 109.0° | 90.0° |
| C23 | C14 | N15 | 111.6° | 90.0° |
| C14 | C23 | N22 | 112.8° | 90.0° |
| C23 | C14 | H19 | 107.9° | 90.0° |
| C14 | C23 | H26 | 106.9° | 90.0° |
| C14 | N15 | C16 | 115.1° | 90.0° |
| N15 | C14 | H19 | 109.8° | 90.0° |
| C14 | N15 | H20 | 108.0° | 90.0° |
| C14 | N15 | H21 | 108.0° | 90.0° |
| N15 | C16 | C21 | 118.3° | 90.0° |
| N15 | C16 | C17 | 125.3° | 90.0° |
| C16 | N15 | H20 | 108.0° | 90.0° |
| C16 | N15 | H21 | 108.1° | 90.0° |
| N15 | C16 | H22 | 92.8° | 90.0° |
| C21 | C16 | C17 | 115.7° | 90.0° |
| C16 | C21 | N20 | 119.5° | 90.0° |
| C16 | C21 | N22 | 118.8° | 90.0° |
| C21 | C16 | H22 | 92.7° | 90.0° |
| C16 | C17 | N18 | 120.1° | 90.0° |
| C16 | C17 | O17 | 119.4° | 90.0° |
| C17 | C16 | H22 | 92.7° | 90.0° |
| N18 | C17 | O17 | 119.6° | 90.0° |
| C17 | N18 | C19 | 121.2° | 90.0° |
| N18 | C19 | N19 | 117.6° | 90.0° |
| N18 | C19 | N20 | 120.7° | 90.0° |
| N18 | C19 | H49 | 90.6° | 90.0° |
| N19 | C19 | N20 | 121.7° | 90.0° |
| C19 | N19 | H23 | 109.5° | 90.0° |
| C19 | N19 | H24 | 109.5° | 90.0° |
| N19 | C19 | H49 | 90.6° | 90.0° |
| C19 | N20 | C21 | 122.0° | 90.0° |
| N20 | C19 | H49 | 90.7° | 90.0° |
| C19 | N20 | H50 | 106.3° | 90.0° |
| N20 | C21 | N22 | 121.5° | 90.0° |
| C21 | N20 | H50 | 106.3° | 90.0° |
| C21 | N22 | C23 | 123.6° | 90.0° |
| C21 | N22 | H25 | 105.8° | 90.0° |
| C23 | N22 | H25 | 105.9° | 90.0° |
| N22 | C23 | H26 | 109.0° | 90.0° |
| O2 | PB1 | O8 | 109.9° | 90.0° |
| O2 | PB1 | O1 | 118.9° | 90.0° |
| O2 | PB1 | O3 | 107.9° | 90.0° |
| O8 | PB1 | O1 | 105.5° | 90.0° |
| O8 | PB1 | O3 | 104.7° | 90.0° |
| PB1 | O8 | C1 | 121.0° | 90.0° |
| O1 | PB1 | O3 | 109.1° | 90.0° |
| PB1 | O1 | H27 | 109.5° | 90.0° |
| PB1 | O3 | PA1 | 137.4° | 90.0° |
| O3 | PA1 | O4 | 102.0° | 90.0° |
| O3 | PA1 | O5 | 105.6° | 90.0° |
| O3 | PA1 | O7 | 110.0° | 90.0° |
| C18 | O4 | PA1 | 117.0° | 90.0° |
| O4 | C18 | C20 | 100.4° | 90.0° |
| O4 | C18 | H41 | 111.7° | 90.0° |
| O4 | C18 | H42 | 111.7° | 90.0° |
| O4 | PA1 | O5 | 105.9° | 90.0° |
| O4 | PA1 | O7 | 111.1° | 90.0° |
| O5 | PA1 | O7 | 120.5° | 90.0° |
| PA1 | O7 | H28 | 109.5° | 90.0° |
| O8 | C1 | C3 | 106.0° | 90.0° |
| O8 | C1 | H29 | 110.3° | 90.0° |
| O8 | C1 | H30 | 110.4° | 90.0° |
| C1 | C3 | O9 | 112.3° | 90.0° |
| C1 | C3 | C7 | 109.2° | 90.0° |
| C3 | C1 | H29 | 110.3° | 90.0° |
| C3 | C1 | H30 | 110.3° | 90.0° |
| C1 | C3 | H31 | 109.5° | 90.0° |
| O9 | C3 | C7 | 105.7° | 90.0° |
| C3 | O9 | C15 | 105.1° | 90.0° |
| O9 | C3 | H31 | 110.6° | 90.0° |
| C3 | C7 | C9 | 101.0° | 90.0° |
| C3 | C7 | O10 | 110.8° | 90.0° |
| C7 | C3 | H31 | 109.4° | 90.0° |
| C3 | C7 | H32 | 110.3° | 90.0° |
| O9 | C15 | C9 | 99.4° | 90.0° |
| O9 | C15 | N91 | 111.6° | 90.0° |
| O9 | C15 | H36 | 113.3° | 90.0° |
| C9 | C7 | O10 | 112.7° | 90.0° |
| C7 | C9 | C15 | 104.9° | 90.0° |
| C7 | C9 | O12 | 111.3° | 90.0° |
| C9 | C7 | H32 | 110.1° | 90.0° |
| C7 | C9 | H34 | 108.6° | 90.0° |
| O10 | C7 | H32 | 111.5° | 90.0° |
| C7 | O10 | H33 | 109.5° | 90.0° |
| C15 | C9 | O12 | 112.6° | 90.0° |
| C9 | C15 | N91 | 106.7° | 90.0° |
| C15 | C9 | H34 | 109.1° | 90.0° |
| C9 | C15 | H36 | 111.9° | 90.0° |
| O12 | C9 | H34 | 110.2° | 90.0° |
| C9 | O12 | H35 | 109.5° | 90.0° |
| C15 | N91 | C81 | 126.3° | 90.0° |
| C15 | N91 | C41 | 126.1° | 90.0° |
| N91 | C15 | H36 | 113.0° | 90.0° |
| C81 | N91 | C41 | 107.3° | 90.0° |
| N91 | C81 | N71 | 108.8° | 90.0° |
| N91 | C81 | H37 | 125.6° | 90.0° |
| N91 | C41 | C51 | 107.0° | 90.0° |
| N91 | C41 | N31 | 124.7° | 90.0° |
| C81 | N71 | C51 | 109.9° | 90.0° |
| N71 | C81 | H37 | 125.6° | 90.0° |
| N71 | C51 | C61 | 139.1° | 90.0° |
| N71 | C51 | C41 | 106.1° | 90.0° |
| C61 | C51 | C41 | 114.7° | 90.0° |
| C51 | C61 | O61 | 121.3° | 90.0° |
| C51 | C61 | N11 | 115.5° | 90.0° |
| C51 | C41 | N31 | 127.6° | 90.0° |
| O61 | C61 | N11 | 123.2° | 90.0° |
| C61 | N11 | C22 | 124.4° | 90.0° |
| C61 | N11 | H38 | 117.8° | 90.0° |
| N11 | C22 | N31 | 125.4° | 90.0° |
| N11 | C22 | N21 | 118.1° | 90.0° |
| C22 | N11 | H38 | 117.8° | 90.0° |
| N31 | C22 | N21 | 116.5° | 90.0° |
| C22 | N31 | C41 | 112.0° | 90.0° |
| C22 | N21 | H39 | 120.0° | 90.0° |
| C22 | N21 | H40 | 120.0° | 90.0° |
| C18 | C20 | O13 | 112.1° | 90.0° |
| C18 | C20 | C24 | 111.1° | 90.0° |
| C20 | C18 | H41 | 111.7° | 90.0° |
| C20 | C18 | H42 | 111.7° | 90.0° |
| C18 | C20 | H43 | 108.2° | 90.0° |
| O13 | C20 | C24 | 107.7° | 90.0° |
| C20 | O13 | C31 | 112.7° | 90.0° |
| O13 | C20 | H43 | 109.4° | 90.0° |
| C20 | C24 | S1 | 119.2° | 90.0° |
| C20 | C24 | C25 | 123.9° | 90.0° |
| C24 | C20 | H43 | 108.4° | 90.0° |
| O13 | C31 | C26 | 109.4° | 90.0° |
| O13 | C31 | N10 | 105.4° | 90.0° |
| O13 | C31 | H48 | 110.7° | 90.0° |
| S1 | C24 | C25 | 116.2° | 90.0° |
| C24 | C25 | S2 | 122.9° | 90.0° |
| C24 | C25 | C26 | 122.1° | 90.0° |
| S2 | C25 | C26 | 114.9° | 90.0° |
| C25 | C26 | N4 | 109.6° | 90.0° |
| C25 | C26 | C31 | 107.1° | 90.0° |
| C25 | C26 | H44 | 110.1° | 90.0° |
| N4 | C26 | C31 | 110.4° | 90.0° |
| C26 | N4 | C27 | 120.1° | 90.0° |
| N4 | C26 | H44 | 110.1° | 90.0° |
| C26 | N4 | H51 | 106.8° | 90.0° |
| C26 | C31 | N10 | 111.6° | 90.0° |
| C31 | C26 | H44 | 109.5° | 90.0° |
| C26 | C31 | H48 | 109.4° | 90.0° |
| N4 | C27 | C28 | 123.1° | 90.0° |
| N4 | C27 | C30 | 119.0° | 90.0° |
| C27 | N4 | H51 | 106.7° | 90.0° |
| C28 | C27 | C30 | 117.9° | 90.0° |
| C27 | C28 | O14 | 118.6° | 90.0° |
| C27 | C28 | N5 | 118.9° | 90.0° |
| C27 | C30 | N8 | 120.1° | 90.0° |
| C27 | C30 | N10 | 123.3° | 90.0° |
| O14 | C28 | N5 | 122.4° | 90.0° |
| C28 | N5 | C29 | 121.1° | 90.0° |
| C28 | N5 | H52 | 119.4° | 90.0° |
| N5 | C29 | N6 | 122.4° | 90.0° |
| N5 | C29 | N8 | 121.5° | 90.0° |
| C29 | N5 | H52 | 119.5° | 90.0° |
| N6 | C29 | N8 | 115.8° | 90.0° |
| C29 | N6 | H45 | 120.0° | 90.0° |
| C29 | N6 | H46 | 120.0° | 90.0° |
| C29 | N8 | C30 | 120.2° | 90.0° |
| N8 | C30 | N10 | 116.5° | 90.0° |
| C30 | N10 | C31 | 114.5° | 90.0° |
| C30 | N10 | H47 | 108.2° | 90.0° |
| C31 | N10 | H47 | 108.2° | 90.0° |
| N10 | C31 | H48 | 110.2° | 90.0° |
| H4 | C5' | H5 | 109.4° | 90.0° |
| H14 | N2 | H15 | 120.0° | 90.0° |
| H16 | C10 | H17 | 109.5° | 90.0° |
| H20 | N15 | H21 | 109.5° | 90.0° |
| H23 | N19 | H24 | 109.5° | 90.0° |
| H29 | C1 | H30 | 109.5° | 90.0° |
| H39 | N21 | H40 | 120.0° | 90.0° |
| H41 | C18 | H42 | 109.5° | 90.0° |
| H45 | N6 | H46 | 120.0° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S13 | MO | S12 | S2 | 130.3° | 90.0° |
| S13 | MO | S12 | S | 137.0° | 90.0° |
| S13 | MO | S12 | S1 | 60.9° | 90.0° |
| S13 | MO | S2 | S | 162.0° | 90.0° |
| S13 | MO | S2 | S1 | 73.3° | 90.0° |
| S13 | MO | S | S1 | 119.8° | 90.0° |
| MO | S13 | C13 | C12 | 8.4° | 90.0° |
| S13 | MO | S12 | C12 | 9.1° | 90.0° |
| MO | S13 | C13 | C14 | 165.1° | 90.0° |
| S13 | MO | S1 | C24 | 124.1° | 90.0° |
| S13 | MO | S2 | C25 | 66.5° | 90.0° |
| S13 | MO | S | H1 | 180.0° | 90.0° |
| S12 | MO | S2 | S | 87.2° | 90.0° |
| S12 | MO | S2 | S1 | 148.2° | 90.0° |
| S12 | MO | S | S1 | 168.0° | 90.0° |
| MO | S12 | C12 | C11 | 171.1° | 90.0° |
| MO | S12 | C12 | C13 | 7.8° | 90.0° |
| S12 | MO | S13 | C13 | 9.3° | 90.0° |
| S12 | MO | S1 | C24 | 64.3° | 90.0° |
| S12 | MO | S2 | C25 | 141.4° | 90.0° |
| S12 | MO | S | H1 | 107.8° | 90.0° |
| S2 | MO | S | S1 | 80.1° | 90.0° |
| S2 | MO | S12 | C12 | 121.2° | 90.0° |
| S2 | MO | S13 | C13 | 69.5° | 90.0° |
| S2 | MO | S1 | C24 | 7.3° | 90.0° |
| MO | S2 | C25 | C24 | 5.8° | 90.0° |
| MO | S2 | C25 | C26 | 178.0° | 90.0° |
| S2 | MO | S | H1 | 20.0° | 90.0° |
| S | MO | S12 | C12 | 146.1° | 90.0° |
| S | MO | S13 | C13 | 84.5° | 90.0° |
| S | MO | S1 | C24 | 93.8° | 90.0° |
| S | MO | S2 | C25 | 131.5° | 90.0° |
| S1 | MO | S12 | C12 | 51.8° | 90.0° |
| S1 | MO | S13 | C13 | 141.5° | 90.0° |
| MO | S1 | C24 | C20 | 177.6° | 90.0° |
| MO | S1 | C24 | C25 | 6.5° | 90.0° |
| S1 | MO | S2 | C25 | 6.8° | 90.0° |
| S1 | MO | S | H1 | 60.2° | 90.0° |
| O3B | PB | O1B | O2B | 119.1° | 90.0° |
| O3B | PB | O1B | O5' | 112.9° | 90.0° |
| O3B | PB | O2B | O5' | 110.1° | 90.0° |
| PB | O3B | PA | O3A | 145.5° | 90.0° |
| PB | O3B | PA | O1A | 109.0° | 90.0° |
| PB | O3B | PA | O2A | 22.9° | 90.0° |
| O3B | PB | O5' | C5' | 151.6° | 90.0° |
| O3B | PB | O2B | H2 | 121.9° | 90.0° |
| O1B | PB | O2B | O5' | 128.1° | 90.0° |
| O1B | PB | O3B | PA | 68.2° | 90.0° |
| O1B | PB | O5' | C5' | 34.4° | 90.0° |
| O1B | PB | O2B | H2 | 0.0° | 90.0° |
| O2B | PB | O3B | PA | 165.0° | 90.0° |
| O2B | PB | O5' | C5' | 97.3° | 90.0° |
| O5' | PB | O3B | PA | 49.6° | 90.0° |
| PB | O5' | C5' | C4' | 135.8° | 90.0° |
| O5' | PB | O2B | H2 | 128.1° | 90.0° |
| PB | O5' | C5' | H4 | 104.6° | 90.0° |
| PB | O5' | C5' | H5 | 16.1° | 90.0° |
| O3B | PA | O3A | C10 | 97.2° | 90.0° |
| O3B | PA | O3A | O1A | 108.7° | 90.0° |
| O3B | PA | O3A | O2A | 119.5° | 90.0° |
| O3B | PA | O1A | O2A | 127.1° | 90.0° |
| O3B | PA | O2A | H3 | 124.5° | 90.0° |
| C10 | O3A | PA | O1A | 154.1° | 90.0° |
| C10 | O3A | PA | O2A | 22.3° | 90.0° |
| O3A | C10 | C11 | H16 | 118.9° | 90.0° |
| O3A | C10 | C11 | H17 | 118.8° | 90.0° |
| O3A | C10 | C11 | O11 | 59.0° | 90.0° |
| O3A | C10 | C11 | C12 | 176.1° | 90.0° |
| O3A | C10 | H16 | H17 | 123.3° | 90.0° |
| O3A | C10 | C11 | H18 | 61.4° | 90.0° |
| O3A | PA | O1A | O2A | 129.3° | 90.0° |
| PA | O3A | C10 | C11 | 145.6° | 90.0° |
| O3A | PA | O2A | H3 | 122.8° | 90.0° |
| PA | O3A | C10 | H16 | 95.5° | 90.0° |
| PA | O3A | C10 | H17 | 26.8° | 90.0° |
| O1A | PA | O2A | H3 | 0.0° | 90.0° |
| O5' | C5' | C4' | H4 | 119.6° | 90.0° |
| O5' | C5' | C4' | H5 | 119.6° | 90.0° |
| O5' | C5' | C4' | C3' | 67.4° | 90.0° |
| O5' | C5' | C4' | O4' | 170.2° | 90.0° |
| O5' | C5' | H4 | H5 | 121.2° | 90.0° |
| O5' | C5' | C4' | H6 | 52.5° | 90.0° |
| C5' | C4' | C3' | O4' | 119.1° | 90.0° |
| C5' | C4' | C3' | H6 | 120.1° | 90.0° |
| C5' | C4' | O4' | H6 | 117.0° | 90.0° |
| C5' | C4' | O4' | C1' | 144.9° | 90.0° |
| C5' | C4' | C3' | O3' | 128.4° | 90.0° |
| C5' | C4' | C3' | C2' | 115.4° | 90.0° |
| C4' | C5' | H4 | H5 | 121.2° | 90.0° |
| C5' | C4' | C3' | H7 | 2.6° | 90.0° |
| C3' | C4' | O4' | H6 | 119.9° | 90.0° |
| C3' | C4' | O4' | C1' | 21.8° | 90.0° |
| C4' | C3' | O3' | C2' | 107.6° | 90.0° |
| C4' | C3' | O3' | H7 | 124.8° | 90.0° |
| C4' | C3' | C2' | H7 | 117.5° | 90.0° |
| C4' | C3' | C2' | O2' | 150.4° | 90.0° |
| C4' | C3' | C2' | C1' | 26.8° | 90.0° |
| C3' | C4' | C5' | H4 | 173.0° | 90.0° |
| C3' | C4' | C5' | H5 | 52.2° | 90.0° |
| C4' | C3' | O3' | H8 | 180.0° | 90.0° |
| C4' | C3' | C2' | H9 | 87.9° | 90.0° |
| O4' | C4' | C3' | O3' | 112.5° | 90.0° |
| O4' | C4' | C3' | C2' | 3.7° | 90.0° |
| C4' | O4' | C1' | C2' | 39.0° | 90.0° |
| C4' | O4' | C1' | N9 | 163.6° | 90.0° |
| O4' | C4' | C5' | H4 | 50.6° | 90.0° |
| O4' | C4' | C5' | H5 | 70.2° | 90.0° |
| O4' | C4' | C3' | H7 | 121.7° | 90.0° |
| C4' | O4' | C1' | H11 | 77.1° | 90.0° |
| O4' | C1' | C2' | C3' | 43.1° | 90.0° |
| O4' | C1' | C2' | O2' | 169.6° | 90.0° |
| O4' | C1' | C2' | N9 | 120.4° | 90.0° |
| O4' | C1' | C2' | H11 | 116.8° | 90.0° |
| O4' | C1' | N9 | H11 | 119.5° | 90.0° |
| O4' | C1' | N9 | C4 | 68.6° | 90.0° |
| O4' | C1' | N9 | C8 | 70.1° | 90.0° |
| C1' | O4' | C4' | H6 | 98.1° | 90.0° |
| O4' | C1' | C2' | H9 | 71.5° | 90.0° |
| O3' | C3' | C2' | H7 | 128.3° | 90.0° |
| O3' | C3' | C2' | O2' | 36.2° | 90.0° |
| O3' | C3' | C2' | C1' | 87.4° | 90.0° |
| O3' | C3' | C4' | H6 | 8.3° | 90.0° |
| O3' | C3' | C2' | H9 | 157.8° | 90.0° |
| C3' | C2' | O2' | C1' | 119.8° | 90.0° |
| C3' | C2' | O2' | H9 | 121.4° | 90.0° |
| C3' | C2' | C1' | H9 | 114.6° | 90.0° |
| C3' | C2' | C1' | N9 | 163.5° | 90.0° |
| C2' | C3' | C4' | H6 | 124.5° | 90.0° |
| C2' | C3' | O3' | H8 | 72.4° | 90.0° |
| C3' | C2' | O2' | H10 | 180.0° | 90.0° |
| C3' | C2' | C1' | H11 | 73.7° | 90.0° |
| O2' | C2' | C1' | H9 | 118.9° | 90.0° |
| O2' | C2' | C1' | N9 | 70.0° | 90.0° |
| O2' | C2' | C3' | H7 | 92.1° | 90.0° |
| O2' | C2' | C1' | H11 | 52.8° | 90.0° |
| C2' | C1' | N9 | H11 | 122.5° | 90.0° |
| C2' | C1' | N9 | C4 | 173.3° | 90.0° |
| C2' | C1' | N9 | C8 | 48.0° | 90.0° |
| C1' | C2' | C3' | H7 | 144.3° | 90.0° |
| C1' | C2' | O2' | H10 | 60.1° | 90.0° |
| C1' | N9 | C4 | C8 | 146.5° | 90.0° |
| C1' | N9 | C8 | N7 | 151.3° | 90.0° |
| C1' | N9 | C4 | C5 | 151.6° | 90.0° |
| C1' | N9 | C4 | N3 | 28.4° | 90.0° |
| N9 | C1' | C2' | H9 | 48.9° | 90.0° |
| C1' | N9 | C8 | H12 | 28.7° | 90.0° |
| C4 | N9 | C8 | N7 | 7.1° | 90.0° |
| N9 | C4 | C5 | N7 | 1.7° | 90.0° |
| N9 | C4 | C5 | N3 | 179.9° | 90.0° |
| N9 | C4 | C5 | C6 | 179.5° | 90.0° |
| N9 | C4 | N3 | C2 | 177.7° | 90.0° |
| C4 | N9 | C1' | H11 | 50.8° | 90.0° |
| C4 | N9 | C8 | H12 | 172.9° | 90.0° |
| N9 | C8 | N7 | H12 | 180.0° | 90.0° |
| N9 | C8 | N7 | C5 | 6.2° | 90.0° |
| C8 | N9 | C4 | C5 | 5.1° | 90.0° |
| C8 | N9 | C4 | N3 | 174.8° | 90.0° |
| C8 | N9 | C1' | H11 | 170.4° | 90.0° |
| C8 | N7 | C5 | C4 | 2.9° | 90.0° |
| C8 | N7 | C5 | C6 | 174.5° | 90.0° |
| N7 | C5 | C4 | C6 | 177.8° | 90.0° |
| N7 | C5 | C6 | O6 | 3.8° | 90.0° |
| N7 | C5 | C6 | N1 | 177.7° | 90.0° |
| N7 | C5 | C4 | N3 | 178.3° | 90.0° |
| C5 | N7 | C8 | H12 | 173.8° | 90.0° |
| C4 | C5 | C6 | O6 | 173.3° | 90.0° |
| C4 | C5 | C6 | N1 | 0.6° | 90.0° |
| C5 | C4 | N3 | C2 | 2.4° | 90.0° |
| C5 | C6 | O6 | N1 | 172.9° | 90.0° |
| C5 | C6 | N1 | C2 | 2.1° | 90.0° |
| C6 | C5 | C4 | N3 | 0.4° | 90.0° |
| C5 | C6 | N1 | H13 | 177.9° | 90.0° |
| O6 | C6 | N1 | C2 | 175.5° | 90.0° |
| O6 | C6 | N1 | H13 | 4.5° | 90.0° |
| C6 | N1 | C2 | H13 | 180.0° | 90.0° |
| C6 | N1 | C2 | N2 | 178.1° | 90.0° |
| C6 | N1 | C2 | N3 | 5.7° | 90.0° |
| N1 | C2 | N2 | N3 | 173.1° | 90.0° |
| N1 | C2 | N3 | C4 | 5.3° | 90.0° |
| N1 | C2 | N2 | H14 | 173.1° | 90.0° |
| N1 | C2 | N2 | H15 | 6.9° | 90.0° |
| N2 | C2 | N3 | C4 | 177.6° | 90.0° |
| N2 | C2 | N1 | H13 | 1.9° | 90.0° |
| C2 | N2 | H14 | H15 | 180.0° | 90.0° |
| N3 | C2 | N1 | H13 | 174.4° | 90.0° |
| N3 | C2 | N2 | H14 | 0.0° | 90.0° |
| N3 | C2 | N2 | H15 | 180.0° | 90.0° |
| C10 | C11 | O11 | C12 | 120.0° | 90.0° |
| C10 | C11 | O11 | H18 | 119.1° | 90.0° |
| C10 | C11 | C12 | H18 | 122.0° | 90.0° |
| C10 | C11 | O11 | C23 | 177.7° | 90.0° |
| C10 | C11 | C12 | C13 | 143.4° | 90.0° |
| C10 | C11 | C12 | S12 | 35.4° | 90.0° |
| C11 | C10 | H16 | H17 | 123.3° | 90.0° |
| O11 | C11 | C12 | H18 | 121.4° | 90.0° |
| O11 | C11 | C12 | C13 | 26.8° | 90.0° |
| O11 | C11 | C12 | S12 | 152.0° | 90.0° |
| C11 | O11 | C23 | C14 | 68.8° | 90.0° |
| C11 | O11 | C23 | N22 | 166.8° | 90.0° |
| O11 | C11 | C10 | H16 | 59.9° | 90.0° |
| O11 | C11 | C10 | H17 | 177.8° | 90.0° |
| C11 | O11 | C23 | H26 | 48.6° | 90.0° |
| C12 | C11 | O11 | C23 | 57.7° | 90.0° |
| C11 | C12 | C13 | S12 | 178.8° | 90.0° |
| C11 | C12 | C13 | C14 | 6.3° | 90.0° |
| C11 | C12 | C13 | S13 | 179.3° | 90.0° |
| C12 | C11 | C10 | H16 | 57.3° | 90.0° |
| C12 | C11 | C10 | H17 | 65.0° | 90.0° |
| O11 | C23 | C14 | C13 | 42.2° | 90.0° |
| O11 | C23 | C14 | N22 | 121.8° | 90.0° |
| O11 | C23 | C14 | H26 | 118.5° | 90.0° |
| O11 | C23 | C14 | N15 | 79.2° | 90.0° |
| O11 | C23 | N22 | C21 | 111.9° | 90.0° |
| O11 | C23 | N22 | H26 | 118.1° | 90.0° |
| C23 | O11 | C11 | H18 | 63.2° | 90.0° |
| O11 | C23 | C14 | H19 | 160.0° | 90.0° |
| O11 | C23 | N22 | H25 | 10.1° | 90.0° |
| C12 | C13 | C14 | S13 | 173.2° | 90.0° |
| C12 | C13 | C14 | C23 | 12.8° | 90.0° |
| C12 | C13 | C14 | N15 | 109.5° | 90.0° |
| C13 | C12 | C11 | H18 | 94.7° | 90.0° |
| C12 | C13 | C14 | H19 | 129.9° | 90.0° |
| S12 | C12 | C13 | C14 | 172.5° | 90.0° |
| S12 | C12 | C13 | S13 | 0.5° | 90.0° |
| S12 | C12 | C11 | H18 | 86.6° | 90.0° |
| C13 | C14 | C23 | N15 | 121.4° | 90.0° |
| C13 | C14 | C23 | H19 | 117.8° | 90.0° |
| C13 | C14 | N15 | H19 | 120.0° | 90.0° |
| C13 | C14 | N15 | C16 | 170.9° | 90.0° |
| C13 | C14 | C23 | N22 | 163.9° | 90.0° |
| C13 | C14 | N15 | H20 | 50.1° | 90.0° |
| C13 | C14 | N15 | H21 | 68.3° | 90.0° |
| C13 | C14 | C23 | H26 | 76.3° | 90.0° |
| S13 | C13 | C14 | C23 | 174.0° | 90.0° |
| S13 | C13 | C14 | N15 | 63.7° | 90.0° |
| S13 | C13 | C14 | H19 | 56.9° | 90.0° |
| C23 | C14 | N15 | H19 | 119.7° | 90.0° |
| C23 | C14 | N15 | C16 | 50.6° | 90.0° |
| C14 | C23 | N22 | C21 | 11.4° | 90.0° |
| C14 | C23 | N22 | H26 | 118.6° | 90.0° |
| C23 | C14 | N15 | H20 | 70.2° | 90.0° |
| C23 | C14 | N15 | H21 | 171.5° | 90.0° |
| C14 | C23 | N22 | H25 | 133.4° | 90.0° |
| C14 | N15 | C16 | H20 | 120.8° | 90.0° |
| C14 | N15 | C16 | H21 | 120.8° | 90.0° |
| C14 | N15 | C16 | C21 | 28.2° | 90.0° |
| C14 | N15 | C16 | C17 | 141.9° | 90.0° |
| N15 | C14 | C23 | N22 | 42.6° | 90.0° |
| C14 | N15 | H20 | H21 | 117.4° | 90.0° |
| C14 | N15 | C16 | H22 | 122.8° | 90.0° |
| N15 | C14 | C23 | H26 | 162.3° | 90.0° |
| N15 | C16 | C21 | C17 | 171.0° | 90.0° |
| N15 | C16 | C21 | H22 | 94.6° | 90.0° |
| N15 | C16 | C17 | H22 | 95.4° | 90.0° |
| N15 | C16 | C17 | N18 | 179.8° | 90.0° |
| N15 | C16 | C17 | O17 | 10.9° | 90.0° |
| N15 | C16 | C21 | N20 | 179.6° | 90.0° |
| N15 | C16 | C21 | N22 | 4.6° | 90.0° |
| C16 | N15 | C14 | H19 | 69.1° | 90.0° |
| C16 | N15 | H20 | H21 | 117.4° | 90.0° |
| C21 | C16 | C17 | H22 | 94.3° | 90.0° |
| C21 | C16 | C17 | N18 | 9.5° | 90.0° |
| C21 | C16 | C17 | O17 | 178.8° | 90.0° |
| C16 | C21 | N20 | C19 | 5.0° | 90.0° |
| C16 | C21 | N20 | N22 | 174.8° | 90.0° |
| C16 | C21 | N22 | C23 | 12.0° | 90.0° |
| C21 | C16 | N15 | H20 | 92.6° | 90.0° |
| C21 | C16 | N15 | H21 | 149.0° | 90.0° |
| C16 | C21 | N22 | H25 | 109.9° | 90.0° |
| C16 | C21 | N20 | H50 | 116.7° | 90.0° |
| C16 | C17 | N18 | O17 | 169.3° | 90.0° |
| C16 | C17 | N18 | C19 | 5.4° | 90.0° |
| C17 | C16 | C21 | N20 | 9.4° | 90.0° |
| C17 | C16 | C21 | N22 | 175.7° | 90.0° |
| C17 | C16 | N15 | H20 | 97.3° | 90.0° |
| C17 | C16 | N15 | H21 | 21.0° | 90.0° |
| C17 | N18 | C19 | N19 | 177.4° | 90.0° |
| C17 | N18 | C19 | N20 | 0.4° | 90.0° |
| N18 | C17 | C16 | H22 | 84.8° | 90.0° |
| C17 | N18 | C19 | H49 | 91.5° | 90.0° |
| O17 | C17 | N18 | C19 | 174.6° | 90.0° |
| O17 | C17 | C16 | H22 | 84.5° | 90.0° |
| N18 | C19 | N19 | N20 | 177.8° | 90.0° |
| N18 | C19 | N19 | H49 | 91.0° | 90.0° |
| N18 | C19 | N20 | H49 | 91.1° | 90.0° |
| N18 | C19 | N20 | C21 | 0.4° | 90.0° |
| N18 | C19 | N19 | H23 | 180.0° | 90.0° |
| N18 | C19 | N19 | H24 | 60.0° | 90.0° |
| N18 | C19 | N20 | H50 | 121.4° | 90.0° |
| N19 | C19 | N20 | H49 | 91.1° | 90.0° |
| N19 | C19 | N20 | C21 | 177.4° | 90.0° |
| C19 | N19 | H23 | H24 | 120.0° | 90.0° |
| N19 | C19 | N20 | H50 | 60.9° | 90.0° |
| C19 | N20 | C21 | H50 | 121.7° | 90.0° |
| C19 | N20 | C21 | N22 | 179.9° | 90.0° |
| N20 | C19 | N19 | H23 | 2.2° | 90.0° |
| N20 | C19 | N19 | H24 | 122.2° | 90.0° |
| N20 | C21 | N22 | C23 | 173.1° | 90.0° |
| N20 | C21 | C16 | H22 | 85.0° | 90.0° |
| N20 | C21 | N22 | H25 | 64.9° | 90.0° |
| C21 | N20 | C19 | H49 | 91.5° | 90.0° |
| C21 | N22 | C23 | H25 | 121.9° | 90.0° |
| N22 | C21 | C16 | H22 | 90.0° | 90.0° |
| C21 | N22 | C23 | H26 | 130.0° | 90.0° |
| N22 | C21 | N20 | H50 | 58.1° | 90.0° |
| N22 | C23 | C14 | H19 | 78.3° | 90.0° |
| O2 | PB1 | O8 | O1 | 129.3° | 90.0° |
| O2 | PB1 | O8 | O3 | 115.6° | 90.0° |
| O2 | PB1 | O1 | O3 | 124.2° | 90.0° |
| O2 | PB1 | O3 | PA1 | 174.4° | 90.0° |
| O2 | PB1 | O8 | C1 | 20.4° | 90.0° |
| O2 | PB1 | O1 | H27 | 0.0° | 90.0° |
| O8 | PB1 | O1 | O3 | 112.0° | 90.0° |
| O8 | PB1 | O3 | PA1 | 57.4° | 90.0° |
| PB1 | O8 | C1 | C3 | 142.1° | 90.0° |
| O8 | PB1 | O1 | H27 | 123.8° | 90.0° |
| PB1 | O8 | C1 | H29 | 98.5° | 90.0° |
| PB1 | O8 | C1 | H30 | 22.7° | 90.0° |
| O1 | PB1 | O3 | PA1 | 55.1° | 90.0° |
| O1 | PB1 | O8 | C1 | 149.7° | 90.0° |
| PB1 | O3 | PA1 | O4 | 111.2° | 90.0° |
| PB1 | O3 | PA1 | O5 | 138.3° | 90.0° |
| PB1 | O3 | PA1 | O7 | 6.8° | 90.0° |
| O3 | PB1 | O8 | C1 | 95.2° | 90.0° |
| O3 | PB1 | O1 | H27 | 124.2° | 90.0° |
| O3 | PA1 | O4 | C18 | 77.8° | 90.0° |
| O3 | PA1 | O4 | O5 | 110.3° | 90.0° |
| O3 | PA1 | O4 | O7 | 117.2° | 90.0° |
| O3 | PA1 | O5 | O7 | 125.3° | 90.0° |
| O3 | PA1 | O7 | H28 | 123.2° | 90.0° |
| C18 | O4 | PA1 | O5 | 171.9° | 90.0° |
| C18 | O4 | PA1 | O7 | 39.4° | 90.0° |
| O4 | C18 | C20 | H41 | 118.5° | 90.0° |
| O4 | C18 | C20 | H42 | 118.5° | 90.0° |
| O4 | C18 | C20 | O13 | 62.8° | 90.0° |
| O4 | C18 | C20 | C24 | 176.7° | 90.0° |
| O4 | C18 | H41 | H42 | 124.2° | 90.0° |
| O4 | C18 | C20 | H43 | 57.9° | 90.0° |
| O4 | PA1 | O5 | O7 | 127.0° | 90.0° |
| PA1 | O4 | C18 | C20 | 168.0° | 90.0° |
| O4 | PA1 | O7 | H28 | 124.6° | 90.0° |
| PA1 | O4 | C18 | H41 | 73.5° | 90.0° |
| PA1 | O4 | C18 | H42 | 49.4° | 90.0° |
| O5 | PA1 | O7 | H28 | 0.0° | 90.0° |
| O8 | C1 | C3 | H29 | 119.5° | 90.0° |
| O8 | C1 | C3 | H30 | 119.4° | 90.0° |
| O8 | C1 | C3 | O9 | 70.2° | 90.0° |
| O8 | C1 | C3 | C7 | 172.9° | 90.0° |
| O8 | C1 | H29 | H30 | 121.6° | 90.0° |
| O8 | C1 | C3 | H31 | 53.1° | 90.0° |
| C1 | C3 | O9 | C7 | 119.0° | 90.0° |
| C1 | C3 | O9 | H31 | 122.7° | 90.0° |
| C1 | C3 | C7 | H31 | 119.8° | 90.0° |
| C1 | C3 | O9 | C15 | 157.1° | 90.0° |
| C1 | C3 | C7 | C9 | 131.0° | 90.0° |
| C1 | C3 | C7 | O10 | 109.3° | 90.0° |
| C3 | C1 | H29 | H30 | 121.6° | 90.0° |
| C1 | C3 | C7 | H32 | 14.6° | 90.0° |
| O9 | C3 | C7 | H31 | 119.1° | 90.0° |
| O9 | C3 | C7 | C9 | 10.0° | 90.0° |
| O9 | C3 | C7 | O10 | 129.6° | 90.0° |
| C3 | O9 | C15 | C9 | 49.2° | 90.0° |
| C3 | O9 | C15 | N91 | 161.5° | 90.0° |
| O9 | C3 | C1 | H29 | 49.3° | 90.0° |
| O9 | C3 | C1 | H30 | 170.4° | 90.0° |
| O9 | C3 | C7 | H32 | 106.4° | 90.0° |
| C3 | O9 | C15 | H36 | 69.6° | 90.0° |
| C7 | C3 | O9 | C15 | 38.0° | 90.0° |
| C3 | C7 | C9 | O10 | 118.2° | 90.0° |
| C3 | C7 | C9 | H32 | 116.6° | 90.0° |
| C3 | C7 | O10 | H32 | 123.2° | 90.0° |
| C3 | C7 | C9 | C15 | 19.2° | 90.0° |
| C3 | C7 | C9 | O12 | 141.3° | 90.0° |
| C7 | C3 | C1 | H29 | 67.7° | 90.0° |
| C7 | C3 | C1 | H30 | 53.4° | 90.0° |
| C3 | C7 | O10 | H33 | 180.0° | 90.0° |
| C3 | C7 | C9 | H34 | 97.3° | 90.0° |
| O9 | C15 | C9 | C7 | 41.8° | 90.0° |
| O9 | C15 | C9 | N91 | 116.1° | 90.0° |
| O9 | C15 | C9 | H36 | 119.8° | 90.0° |
| O9 | C15 | C9 | O12 | 163.0° | 90.0° |
| O9 | C15 | N91 | H36 | 129.0° | 90.0° |
| O9 | C15 | N91 | C81 | 44.2° | 90.0° |
| O9 | C15 | N91 | C41 | 128.8° | 90.0° |
| C15 | O9 | C3 | H31 | 80.3° | 90.0° |
| O9 | C15 | C9 | H34 | 74.4° | 90.0° |
| C9 | C7 | O10 | H32 | 124.4° | 90.0° |
| C7 | C9 | C15 | O12 | 121.2° | 90.0° |
| C7 | C9 | C15 | H34 | 116.2° | 90.0° |
| C7 | C9 | O12 | H34 | 120.5° | 90.0° |
| C7 | C9 | C15 | N91 | 157.9° | 90.0° |
| C9 | C7 | C3 | H31 | 109.1° | 90.0° |
| C9 | C7 | O10 | H33 | 67.7° | 90.0° |
| C7 | C9 | O12 | H35 | 180.0° | 90.0° |
| C7 | C9 | C15 | H36 | 78.0° | 90.0° |
| O10 | C7 | C9 | C15 | 99.0° | 90.0° |
| O10 | C7 | C9 | O12 | 23.1° | 90.0° |
| O10 | C7 | C3 | H31 | 10.5° | 90.0° |
| O10 | C7 | C9 | H34 | 144.5° | 90.0° |
| C15 | C9 | O12 | H34 | 122.0° | 90.0° |
| C9 | C15 | N91 | H36 | 123.4° | 90.0° |
| C9 | C15 | N91 | C81 | 63.4° | 90.0° |
| C9 | C15 | N91 | C41 | 123.6° | 90.0° |
| C15 | C9 | C7 | H32 | 135.8° | 90.0° |
| C15 | C9 | O12 | H35 | 62.5° | 90.0° |
| O12 | C9 | C15 | N91 | 80.9° | 90.0° |
| O12 | C9 | C7 | H32 | 102.2° | 90.0° |
| O12 | C9 | C15 | H36 | 43.2° | 90.0° |
| C15 | N91 | C81 | C41 | 174.1° | 90.0° |
| C15 | N91 | C81 | N71 | 177.7° | 90.0° |
| C15 | N91 | C41 | C51 | 176.0° | 90.0° |
| C15 | N91 | C41 | N31 | 5.3° | 90.0° |
| N91 | C15 | C9 | H34 | 41.7° | 90.0° |
| C15 | N91 | C81 | H37 | 2.3° | 90.0° |
| N91 | C81 | N71 | H37 | 180.0° | 90.0° |
| N91 | C81 | N71 | C51 | 2.9° | 90.0° |
| C81 | N91 | C41 | C51 | 9.8° | 90.0° |
| C81 | N91 | C41 | N31 | 179.5° | 90.0° |
| C81 | N91 | C15 | H36 | 173.2° | 90.0° |
| C41 | N91 | C81 | N71 | 8.2° | 90.0° |
| N91 | C41 | C51 | N71 | 8.1° | 90.0° |
| N91 | C41 | C51 | C61 | 174.8° | 90.0° |
| N91 | C41 | C51 | N31 | 170.3° | 90.0° |
| N91 | C41 | N31 | C22 | 175.5° | 90.0° |
| C41 | N91 | C15 | H36 | 0.2° | 90.0° |
| C41 | N91 | C81 | H37 | 171.8° | 90.0° |
| C81 | N71 | C51 | C61 | 179.0° | 90.0° |
| C81 | N71 | C51 | C41 | 3.1° | 90.0° |
| N71 | C51 | C61 | C41 | 175.7° | 90.0° |
| N71 | C51 | C61 | O61 | 2.5° | 90.0° |
| N71 | C51 | C61 | N11 | 173.9° | 90.0° |
| N71 | C51 | C41 | N31 | 178.5° | 90.0° |
| C51 | N71 | C81 | H37 | 177.1° | 90.0° |
| C51 | C61 | O61 | N11 | 176.2° | 90.0° |
| C51 | C61 | N11 | C22 | 5.0° | 90.0° |
| C61 | C51 | C41 | N31 | 4.5° | 90.0° |
| C51 | C61 | N11 | H38 | 175.0° | 90.0° |
| C41 | C51 | C61 | O61 | 178.2° | 90.0° |
| C41 | C51 | C61 | N11 | 1.7° | 90.0° |
| C51 | C41 | N31 | C22 | 6.8° | 90.0° |
| O61 | C61 | N11 | C22 | 178.6° | 90.0° |
| O61 | C61 | N11 | H38 | 1.4° | 90.0° |
| C61 | N11 | C22 | H38 | 180.0° | 90.0° |
| C61 | N11 | C22 | N31 | 2.6° | 90.0° |
| C61 | N11 | C22 | N21 | 178.8° | 90.0° |
| N11 | C22 | N31 | N21 | 178.6° | 90.0° |
| N11 | C22 | N31 | C41 | 3.3° | 90.0° |
| N11 | C22 | N21 | H39 | 178.7° | 90.0° |
| N11 | C22 | N21 | H40 | 1.3° | 90.0° |
| N31 | C22 | N11 | H38 | 177.4° | 90.0° |
| N31 | C22 | N21 | H39 | 0.0° | 90.0° |
| N31 | C22 | N21 | H40 | 180.0° | 90.0° |
| N21 | C22 | N31 | C41 | 175.3° | 90.0° |
| N21 | C22 | N11 | H38 | 1.2° | 90.0° |
| C22 | N21 | H39 | H40 | 180.0° | 90.0° |
| C18 | C20 | O13 | C24 | 122.5° | 90.0° |
| C18 | C20 | O13 | H43 | 120.0° | 90.0° |
| C18 | C20 | C24 | H43 | 118.7° | 90.0° |
| C18 | C20 | O13 | C31 | 172.3° | 90.0° |
| C18 | C20 | C24 | S1 | 49.8° | 90.0° |
| C18 | C20 | C24 | C25 | 139.8° | 90.0° |
| C20 | C18 | H41 | H42 | 124.2° | 90.0° |
| O13 | C20 | C24 | H43 | 118.2° | 90.0° |
| O13 | C20 | C24 | S1 | 172.9° | 90.0° |
| O13 | C20 | C24 | C25 | 16.7° | 90.0° |
| C20 | O13 | C31 | C26 | 72.2° | 90.0° |
| C20 | O13 | C31 | N10 | 167.7° | 90.0° |
| O13 | C20 | C18 | H41 | 55.7° | 90.0° |
| O13 | C20 | C18 | H42 | 178.7° | 90.0° |
| C20 | O13 | C31 | H48 | 48.4° | 90.0° |
| C24 | C20 | O13 | C31 | 49.8° | 90.0° |
| C20 | C24 | S1 | C25 | 171.1° | 90.0° |
| C20 | C24 | C25 | S2 | 171.2° | 90.0° |
| C20 | C24 | C25 | C26 | 4.7° | 90.0° |
| C24 | C20 | C18 | H41 | 64.8° | 90.0° |
| C24 | C20 | C18 | H42 | 58.2° | 90.0° |
| O13 | C31 | C26 | C25 | 52.9° | 90.0° |
| O13 | C31 | C26 | N4 | 66.3° | 90.0° |
| O13 | C31 | C26 | N10 | 116.3° | 90.0° |
| O13 | C31 | C26 | H48 | 121.5° | 90.0° |
| O13 | C31 | N10 | C30 | 70.3° | 90.0° |
| O13 | C31 | N10 | H48 | 119.6° | 90.0° |
| C31 | O13 | C20 | H43 | 67.8° | 90.0° |
| O13 | C31 | C26 | H44 | 172.3° | 90.0° |
| O13 | C31 | N10 | H47 | 50.4° | 90.0° |
| S1 | C24 | C25 | S2 | 0.5° | 90.0° |
| S1 | C24 | C25 | C26 | 175.4° | 90.0° |
| S1 | C24 | C20 | H43 | 68.9° | 90.0° |
| C24 | C25 | S2 | C26 | 176.2° | 90.0° |
| C24 | C25 | C26 | N4 | 97.9° | 90.0° |
| C24 | C25 | C26 | C31 | 21.9° | 90.0° |
| C25 | C24 | C20 | H43 | 101.5° | 90.0° |
| C24 | C25 | C26 | H44 | 140.9° | 90.0° |
| S2 | C25 | C26 | N4 | 85.9° | 90.0° |
| S2 | C25 | C26 | C31 | 154.4° | 90.0° |
| S2 | C25 | C26 | H44 | 35.4° | 90.0° |
| C25 | C26 | N4 | C31 | 117.7° | 90.0° |
| C25 | C26 | N4 | H44 | 121.2° | 90.0° |
| C25 | C26 | C31 | H44 | 119.4° | 90.0° |
| C25 | C26 | N4 | C27 | 148.4° | 90.0° |
| C25 | C26 | C31 | N10 | 169.2° | 90.0° |
| C25 | C26 | C31 | H48 | 68.5° | 90.0° |
| C25 | C26 | N4 | H51 | 26.9° | 90.0° |
| N4 | C26 | C31 | H44 | 121.4° | 90.0° |
| C26 | N4 | C27 | H51 | 121.5° | 90.0° |
| C26 | N4 | C27 | C28 | 175.6° | 90.0° |
| C26 | N4 | C27 | C30 | 7.8° | 90.0° |
| N4 | C26 | C31 | N10 | 50.0° | 90.0° |
| N4 | C26 | C31 | H48 | 172.2° | 90.0° |
| C31 | C26 | N4 | C27 | 30.7° | 90.0° |
| C26 | C31 | N10 | C30 | 48.3° | 90.0° |
| C26 | C31 | N10 | H48 | 121.8° | 90.0° |
| C26 | C31 | N10 | H47 | 169.1° | 90.0° |
| C31 | C26 | N4 | H51 | 90.8° | 90.0° |
| N4 | C27 | C28 | C30 | 176.7° | 90.0° |
| N4 | C27 | C28 | O14 | 0.8° | 90.0° |
| N4 | C27 | C28 | N5 | 176.9° | 90.0° |
| N4 | C27 | C30 | N8 | 178.3° | 90.0° |
| N4 | C27 | C30 | N10 | 4.2° | 90.0° |
| C27 | N4 | C26 | H44 | 90.4° | 90.0° |
| C27 | C28 | O14 | N5 | 177.7° | 90.0° |
| C27 | C28 | N5 | C29 | 2.5° | 90.0° |
| C28 | C27 | C30 | N8 | 1.5° | 90.0° |
| C28 | C27 | C30 | N10 | 178.9° | 90.0° |
| C28 | C27 | N4 | H51 | 62.9° | 90.0° |
| C27 | C28 | N5 | H52 | 177.4° | 90.0° |
| C30 | C27 | C28 | O14 | 177.5° | 90.0° |
| C30 | C27 | C28 | N5 | 0.3° | 90.0° |
| C27 | C30 | N8 | C29 | 4.9° | 90.0° |
| C27 | C30 | N8 | N10 | 177.6° | 90.0° |
| C27 | C30 | N10 | C31 | 25.6° | 90.0° |
| C27 | C30 | N10 | H47 | 146.4° | 90.0° |
| C30 | C27 | N4 | H51 | 113.7° | 90.0° |
| O14 | C28 | N5 | C29 | 175.2° | 90.0° |
| O14 | C28 | N5 | H52 | 4.9° | 90.0° |
| C28 | N5 | C29 | H52 | 180.0° | 90.0° |
| C28 | N5 | C29 | N6 | 179.9° | 90.0° |
| C28 | N5 | C29 | N8 | 6.0° | 90.0° |
| N5 | C29 | N6 | N8 | 174.2° | 90.0° |
| N5 | C29 | N8 | C30 | 7.3° | 90.0° |
| N5 | C29 | N6 | H45 | 174.2° | 90.0° |
| N5 | C29 | N6 | H46 | 5.8° | 90.0° |
| N6 | C29 | N8 | C30 | 178.5° | 90.0° |
| C29 | N6 | H45 | H46 | 180.0° | 90.0° |
| N6 | C29 | N5 | H52 | 0.1° | 90.0° |
| C29 | N8 | C30 | N10 | 177.5° | 90.0° |
| N8 | C29 | N6 | H45 | 0.0° | 90.0° |
| N8 | C29 | N6 | H46 | 180.0° | 90.0° |
| N8 | C29 | N5 | H52 | 173.9° | 90.0° |
| N8 | C30 | N10 | C31 | 156.8° | 90.0° |
| N8 | C30 | N10 | H47 | 36.1° | 90.0° |
| C30 | N10 | C31 | H47 | 120.7° | 90.0° |
| C30 | N10 | C31 | H48 | 170.1° | 90.0° |
| N10 | C31 | C26 | H44 | 71.4° | 90.0° |
| H4 | C5' | C4' | H6 | 67.1° | 90.0° |
| H5 | C5' | C4' | H6 | 172.1° | 90.0° |
| H6 | C4' | C3' | H7 | 117.5° | 90.0° |
| H7 | C3' | O3' | H8 | 55.2° | 90.0° |
| H7 | C3' | C2' | H9 | 29.6° | 90.0° |
| H9 | C2' | O2' | H10 | 58.6° | 90.0° |
| H9 | C2' | C1' | H11 | 171.8° | 90.0° |
| H16 | C10 | C11 | H18 | 179.8° | 90.0° |
| H17 | C10 | C11 | H18 | 57.5° | 90.0° |
| H19 | C14 | N15 | H20 | 170.1° | 90.0° |
| H19 | C14 | N15 | H21 | 51.8° | 90.0° |
| H19 | C14 | C23 | H26 | 41.5° | 90.0° |
| H20 | N15 | C16 | H22 | 1.9° | 90.0° |
| H21 | N15 | C16 | H22 | 116.4° | 90.0° |
| H23 | N19 | C19 | H49 | 89.0° | 90.0° |
| H24 | N19 | C19 | H49 | 31.0° | 90.0° |
| H25 | N22 | C23 | H26 | 108.0° | 90.0° |
| H29 | C1 | C3 | H31 | 172.5° | 90.0° |
| H30 | C1 | C3 | H31 | 66.4° | 90.0° |
| H31 | C3 | C7 | H32 | 134.5° | 90.0° |
| H32 | C7 | O10 | H33 | 56.8° | 90.0° |
| H32 | C7 | C9 | H34 | 19.3° | 90.0° |
| H34 | C9 | O12 | H35 | 59.5° | 90.0° |
| H34 | C9 | C15 | H36 | 165.8° | 90.0° |
| H41 | C18 | C20 | H43 | 176.4° | 90.0° |
| H42 | C18 | C20 | H43 | 60.7° | 90.0° |
| H44 | C26 | C31 | H48 | 50.9° | 90.0° |
| H44 | C26 | N4 | H51 | 148.1° | 90.0° |
| H47 | N10 | C31 | H48 | 69.1° | 90.0° |
| H49 | C19 | N20 | H50 | 30.3° | 90.0° |






