YXS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | P3 | doub | 1.48Å | 1.50Å | |
| CS3 | CS2 | sing | 1.53Å | 1.51Å | |
| O32 | P3 | sing | 1.61Å | 1.50Å | |
| P3 | O3' | sing | 1.61Å | 1.62Å | |
| P3 | O31 | sing | 1.61Å | 1.51Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.45Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| O56 | SS4 | doub | 1.42Å | 1.44Å | |
| S | CS1 | sing | 1.71Å | 1.70Å | |
| S | CP1 | sing | 1.81Å | 1.76Å | |
| CS2 | SS4 | sing | 1.81Å | 1.65Å | |
| CS2 | CS1 | sing | 1.51Å | 1.47Å | |
| OS4 | SS4 | doub | 1.42Å | 1.46Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| SS4 | OS5 | sing | 1.52Å | 1.44Å | |
| CS1 | OS1 | doub | 1.21Å | 1.23Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C6 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| CP1 | CP2 | sing | 1.53Å | 1.52Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| CP2 | NP1 | sing | 1.47Å | 1.43Å | |
| OP1 | CP3 | doub | 1.21Å | 1.21Å | |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| CP5 | NP2 | sing | 1.46Å | 1.44Å | |
| CP5 | CP4 | sing | 1.53Å | 1.53Å | |
| NP1 | CP3 | sing | 1.35Å | 1.32Å | |
| CP3 | CP4 | sing | 1.51Å | 1.51Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | P1 | sing | 1.61Å | 1.59Å | |
| O12 | P1 | doub | 1.48Å | 1.49Å | |
| O11 | P1 | sing | 1.61Å | 1.51Å | |
| NP2 | CP6 | sing | 1.35Å | 1.33Å | |
| P1 | O6 | sing | 1.61Å | 1.61Å | |
| OP3 | CP7 | sing | 1.43Å | 1.43Å | |
| CP6 | OP2 | doub | 1.21Å | 1.22Å | |
| CP6 | CP7 | sing | 1.51Å | 1.50Å | |
| CP7 | CPA | sing | 1.53Å | 1.53Å | |
| O6 | P2 | sing | 1.61Å | 1.59Å | |
| O22 | P2 | doub | 1.48Å | 1.48Å | |
| CPA | CP8 | sing | 1.53Å | 1.52Å | |
| CPA | CPB | sing | 1.53Å | 1.52Å | |
| CPA | CP9 | sing | 1.53Å | 1.52Å | |
| P2 | O7 | sing | 1.61Å | 1.63Å | |
| P2 | O21 | sing | 1.61Å | 1.48Å | |
| O7 | CPB | sing | 1.43Å | 1.42Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| O32 | H2 | sing | 0.97Å | 0.95Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| O2' | H5 | sing | 0.97Å | 0.95Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| O11 | H14 | sing | 0.97Å | 0.95Å | |
| O21 | H15 | sing | 0.97Å | 0.95Å | |
| CPB | H16 | sing | 1.09Å | 1.10Å | |
| CPB | H17 | sing | 1.09Å | 1.10Å | |
| CP9 | H18 | sing | 1.09Å | 1.10Å | |
| CP9 | H19 | sing | 1.09Å | 1.10Å | |
| CP9 | H20 | sing | 1.09Å | 1.10Å | |
| CP8 | H21 | sing | 1.09Å | 1.10Å | |
| CP8 | H22 | sing | 1.09Å | 1.10Å | |
| CP8 | H23 | sing | 1.09Å | 1.10Å | |
| CP7 | H24 | sing | 1.09Å | 1.10Å | |
| OP3 | H25 | sing | 0.97Å | 0.95Å | |
| NP2 | H26 | sing | 0.97Å | 1.00Å | |
| CP5 | H27 | sing | 1.09Å | 1.10Å | |
| CP5 | H28 | sing | 1.09Å | 1.10Å | |
| CP4 | H29 | sing | 1.09Å | 1.10Å | |
| CP4 | H30 | sing | 1.09Å | 1.10Å | |
| NP1 | H31 | sing | 0.97Å | 1.00Å | |
| CP2 | H32 | sing | 1.09Å | 1.10Å | |
| CP2 | H33 | sing | 1.09Å | 1.10Å | |
| CP1 | H34 | sing | 1.09Å | 1.10Å | |
| CP1 | H35 | sing | 1.09Å | 1.10Å | |
| CS2 | H36 | sing | 1.09Å | 1.10Å | |
| CS3 | H37 | sing | 1.09Å | 1.10Å | |
| CS3 | H38 | sing | 1.09Å | 1.10Å | |
| CS3 | H39 | sing | 1.09Å | 1.10Å | |
| OS5 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | P3 | O32 | 111.5° | 109.5° |
| O33 | P3 | O3' | 104.2° | 109.5° |
| O33 | P3 | O31 | 112.1° | 109.5° |
| CS3 | CS2 | SS4 | 102.5° | 109.5° |
| CS3 | CS2 | CS1 | 106.0° | 109.5° |
| CS3 | CS2 | H36 | 112.8° | 109.4° |
| CS2 | CS3 | H37 | 109.5° | 109.5° |
| CS2 | CS3 | H38 | 109.5° | 109.4° |
| CS2 | CS3 | H39 | 109.4° | 109.5° |
| O32 | P3 | O3' | 108.4° | 109.5° |
| O32 | P3 | O31 | 114.7° | 109.5° |
| P3 | O32 | H2 | 109.5° | 114.0° |
| O3' | P3 | O31 | 105.1° | 109.5° |
| P3 | O3' | C3' | 122.3° | 123.0° |
| P3 | O31 | H1 | 109.5° | 114.0° |
| N3 | C2 | N1 | 123.5° | 122.4° |
| C2 | N3 | C4 | 118.8° | 120.6° |
| N3 | C2 | H7 | 118.3° | 118.8° |
| C2 | N1 | C6 | 122.6° | 121.2° |
| N1 | C2 | H7 | 118.3° | 118.7° |
| O2' | C2' | C3' | 114.7° | 110.9° |
| O2' | C2' | C1' | 113.7° | 110.9° |
| O2' | C2' | H4 | 110.5° | 110.8° |
| C2' | O2' | H5 | 109.5° | 114.0° |
| N3 | C4 | N9 | 133.7° | 134.9° |
| N3 | C4 | C5 | 121.1° | 119.1° |
| O3' | C3' | C2' | 106.6° | 110.5° |
| O3' | C3' | C4' | 110.7° | 110.4° |
| O3' | C3' | H3 | 112.5° | 110.5° |
| N1 | C6 | C5 | 117.5° | 118.5° |
| N1 | C6 | N6 | 123.0° | 120.8° |
| O56 | SS4 | CS2 | 104.3° | 110.5° |
| O56 | SS4 | OS4 | 112.5° | 121.0° |
| O56 | SS4 | OS5 | 112.3° | 104.3° |
| CS1 | S | CP1 | 106.1° | 100.0° |
| S | CS1 | CS2 | 116.7° | 120.0° |
| S | CS1 | OS1 | 123.1° | 120.0° |
| S | CP1 | CP2 | 111.7° | 109.5° |
| S | CP1 | H34 | 108.9° | 109.5° |
| S | CP1 | H35 | 108.9° | 109.5° |
| SS4 | CS2 | CS1 | 110.6° | 109.5° |
| CS2 | SS4 | OS4 | 106.0° | 110.5° |
| CS2 | SS4 | OS5 | 108.9° | 104.5° |
| SS4 | CS2 | H36 | 110.8° | 109.5° |
| CS2 | CS1 | OS1 | 120.2° | 120.0° |
| CS1 | CS2 | H36 | 113.5° | 109.5° |
| OS4 | SS4 | OS5 | 112.3° | 104.3° |
| C3' | C2' | C1' | 97.9° | 102.1° |
| C2' | C3' | C4' | 104.8° | 104.2° |
| C2' | C3' | H3 | 111.0° | 110.6° |
| C3' | C2' | H4 | 109.7° | 110.9° |
| C2' | C1' | N9 | 108.9° | 110.6° |
| C2' | C1' | O4' | 109.6° | 103.5° |
| C1' | C2' | H4 | 109.6° | 110.9° |
| C2' | C1' | H6 | 108.2° | 110.6° |
| N9 | C4 | C5 | 105.1° | 106.0° |
| C4 | N9 | C1' | 121.3° | 126.3° |
| C4 | N9 | C8 | 110.3° | 107.4° |
| C4 | C5 | C6 | 116.5° | 118.2° |
| C4 | C5 | N7 | 107.5° | 107.2° |
| SS4 | OS5 | H40 | 109.5° | 114.0° |
| C3' | C4' | O4' | 106.2° | 107.3° |
| C3' | C4' | C5' | 107.5° | 109.9° |
| C4' | C3' | H3 | 110.9° | 110.5° |
| C3' | C4' | H11 | 110.4° | 109.9° |
| C5 | C6 | N6 | 119.5° | 120.8° |
| C6 | C5 | N7 | 136.0° | 134.7° |
| C6 | N6 | H8 | 109.5° | 120.0° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| N9 | C1' | O4' | 112.4° | 110.6° |
| C1' | N9 | C8 | 128.4° | 126.3° |
| N9 | C1' | H6 | 108.7° | 110.6° |
| C1' | O4' | C4' | 106.3° | 107.0° |
| O4' | C1' | H6 | 109.0° | 110.8° |
| CP1 | CP2 | NP1 | 108.1° | 109.5° |
| CP1 | CP2 | H32 | 109.8° | 109.5° |
| CP1 | CP2 | H33 | 109.8° | 109.4° |
| CP2 | CP1 | H34 | 108.9° | 109.5° |
| CP2 | CP1 | H35 | 108.9° | 109.4° |
| N9 | C8 | N7 | 109.7° | 109.9° |
| N9 | C8 | H10 | 125.2° | 125.0° |
| C5 | N7 | C8 | 107.4° | 109.4° |
| O4' | C4' | C5' | 110.8° | 109.9° |
| O4' | C4' | H11 | 111.6° | 109.9° |
| C4' | C5' | O5' | 106.2° | 109.5° |
| C5' | C4' | H11 | 110.3° | 110.1° |
| C4' | C5' | H12 | 110.2° | 109.5° |
| C4' | C5' | H13 | 110.3° | 109.5° |
| CP2 | NP1 | CP3 | 123.7° | 120.0° |
| CP2 | NP1 | H31 | 118.2° | 120.0° |
| NP1 | CP2 | H32 | 109.8° | 109.5° |
| NP1 | CP2 | H33 | 109.8° | 109.5° |
| OP1 | CP3 | NP1 | 123.7° | 120.0° |
| OP1 | CP3 | CP4 | 119.0° | 120.0° |
| N7 | C8 | H10 | 125.1° | 125.1° |
| NP2 | CP5 | CP4 | 112.4° | 109.5° |
| CP5 | NP2 | CP6 | 122.7° | 120.0° |
| CP5 | NP2 | H26 | 118.6° | 120.0° |
| NP2 | CP5 | H27 | 108.8° | 109.5° |
| NP2 | CP5 | H28 | 108.7° | 109.5° |
| CP5 | CP4 | CP3 | 107.4° | 109.5° |
| CP4 | CP5 | H27 | 108.7° | 109.5° |
| CP4 | CP5 | H28 | 108.7° | 109.4° |
| CP5 | CP4 | H29 | 110.0° | 109.5° |
| CP5 | CP4 | H30 | 110.0° | 109.5° |
| NP1 | CP3 | CP4 | 117.2° | 120.0° |
| CP3 | NP1 | H31 | 118.2° | 120.0° |
| CP3 | CP4 | H29 | 110.0° | 109.4° |
| CP3 | CP4 | H30 | 110.0° | 109.5° |
| C5' | O5' | P1 | 122.0° | 123.0° |
| O5' | C5' | H12 | 110.3° | 109.5° |
| O5' | C5' | H13 | 110.3° | 109.4° |
| O5' | P1 | O12 | 114.0° | 109.5° |
| O5' | P1 | O11 | 105.2° | 109.4° |
| O5' | P1 | O6 | 106.8° | 109.5° |
| O12 | P1 | O11 | 111.1° | 109.5° |
| O12 | P1 | O6 | 112.8° | 109.5° |
| O11 | P1 | O6 | 106.4° | 109.5° |
| P1 | O11 | H14 | 109.5° | 114.0° |
| NP2 | CP6 | OP2 | 122.5° | 120.0° |
| NP2 | CP6 | CP7 | 115.5° | 120.0° |
| CP6 | NP2 | H26 | 118.7° | 120.0° |
| P1 | O6 | P2 | 122.5° | 134.0° |
| OP3 | CP7 | CP6 | 108.0° | 109.5° |
| OP3 | CP7 | CPA | 107.9° | 109.5° |
| OP3 | CP7 | H24 | 110.5° | 109.5° |
| CP7 | OP3 | H25 | 109.5° | 114.0° |
| OP2 | CP6 | CP7 | 122.0° | 120.0° |
| CP6 | CP7 | CPA | 111.9° | 109.5° |
| CP6 | CP7 | H24 | 109.4° | 109.5° |
| CP7 | CPA | CP8 | 109.3° | 109.5° |
| CP7 | CPA | CPB | 111.0° | 109.5° |
| CP7 | CPA | CP9 | 109.8° | 109.5° |
| CPA | CP7 | H24 | 109.1° | 109.5° |
| O6 | P2 | O22 | 108.1° | 109.4° |
| O6 | P2 | O7 | 110.9° | 109.5° |
| O6 | P2 | O21 | 105.6° | 109.5° |
| O22 | P2 | O7 | 107.6° | 109.5° |
| O22 | P2 | O21 | 116.7° | 109.5° |
| CP8 | CPA | CPB | 107.9° | 109.5° |
| CP8 | CPA | CP9 | 110.2° | 109.5° |
| CPA | CP8 | H21 | 109.5° | 109.5° |
| CPA | CP8 | H22 | 109.5° | 109.5° |
| CPA | CP8 | H23 | 109.5° | 109.4° |
| CPB | CPA | CP9 | 108.6° | 109.5° |
| CPA | CPB | O7 | 109.8° | 109.5° |
| CPA | CPB | H16 | 109.4° | 109.5° |
| CPA | CPB | H17 | 109.4° | 109.5° |
| CPA | CP9 | H18 | 109.5° | 109.5° |
| CPA | CP9 | H19 | 109.5° | 109.4° |
| CPA | CP9 | H20 | 109.5° | 109.5° |
| O7 | P2 | O21 | 108.0° | 109.5° |
| P2 | O7 | CPB | 118.8° | 123.0° |
| P2 | O21 | H15 | 109.5° | 114.1° |
| O7 | CPB | H16 | 109.4° | 109.4° |
| O7 | CPB | H17 | 109.4° | 109.5° |
| H8 | N6 | H9 | 109.5° | 120.0° |
| H12 | C5' | H13 | 109.5° | 109.5° |
| H16 | CPB | H17 | 109.4° | 109.4° |
| H18 | CP9 | H19 | 109.5° | 109.5° |
| H18 | CP9 | H20 | 109.4° | 109.5° |
| H19 | CP9 | H20 | 109.5° | 109.5° |
| H21 | CP8 | H22 | 109.5° | 109.5° |
| H21 | CP8 | H23 | 109.4° | 109.5° |
| H22 | CP8 | H23 | 109.5° | 109.4° |
| H27 | CP5 | H28 | 109.4° | 109.5° |
| H29 | CP4 | H30 | 109.5° | 109.5° |
| H32 | CP2 | H33 | 109.5° | 109.5° |
| H34 | CP1 | H35 | 109.4° | 109.5° |
| H37 | CS3 | H38 | 109.4° | 109.4° |
| H37 | CS3 | H39 | 109.4° | 109.5° |
| H38 | CS3 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | P3 | O32 | O3' | 114.1° | 120.0° |
| O33 | P3 | O32 | O31 | 128.8° | 120.0° |
| O33 | P3 | O3' | O31 | 118.1° | 120.0° |
| O33 | P3 | O3' | C3' | 169.1° | 55.0° |
| O33 | P3 | O31 | H1 | 0.0° | 60.0° |
| O33 | P3 | O32 | H2 | 0.0° | 180.0° |
| CS3 | CS2 | SS4 | O56 | 59.4° | 51.7° |
| CS3 | CS2 | CS1 | S | 9.0° | 80.0° |
| CS3 | CS2 | SS4 | CS1 | 112.6° | 120.0° |
| CS3 | CS2 | SS4 | H36 | 120.6° | 119.9° |
| CS3 | CS2 | CS1 | H36 | 124.4° | 119.9° |
| CS3 | CS2 | SS4 | OS4 | 59.5° | 171.6° |
| CS3 | CS2 | SS4 | OS5 | 179.5° | 60.0° |
| CS3 | CS2 | CS1 | OS1 | 169.6° | 100.0° |
| CS2 | CS3 | H37 | H38 | 120.0° | 119.9° |
| CS2 | CS3 | H37 | H39 | 120.0° | 120.1° |
| CS2 | CS3 | H38 | H39 | 120.0° | 120.0° |
| O32 | P3 | O3' | O31 | 123.1° | 120.0° |
| O32 | P3 | O3' | C3' | 50.3° | 65.0° |
| O32 | P3 | O31 | H1 | 128.5° | 60.0° |
| P3 | O3' | C3' | C2' | 143.8° | 125.2° |
| P3 | O3' | C3' | C4' | 102.8° | 120.0° |
| O3' | P3 | O31 | H1 | 112.6° | 180.0° |
| O3' | P3 | O32 | H2 | 114.1° | 60.0° |
| P3 | O3' | C3' | H3 | 21.9° | 2.5° |
| O31 | P3 | O3' | C3' | 72.8° | 175.0° |
| O31 | P3 | O32 | H2 | 128.8° | 60.0° |
| N3 | C2 | N1 | H7 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.7° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| O2' | C2' | C3' | O3' | 40.9° | 20.4° |
| O2' | C2' | C3' | C1' | 120.7° | 118.2° |
| O2' | C2' | C3' | H4 | 125.1° | 123.6° |
| O2' | C2' | C1' | H4 | 124.3° | 123.6° |
| O2' | C2' | C3' | C4' | 158.3° | 139.1° |
| O2' | C2' | C1' | N9 | 81.4° | 86.3° |
| O2' | C2' | C1' | O4' | 155.3° | 155.2° |
| O2' | C2' | C3' | H3 | 81.9° | 102.2° |
| O2' | C2' | C1' | H6 | 36.5° | 36.5° |
| N3 | C4 | N9 | C5 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | N9 | C1' | 1.5° | 0.0° |
| N3 | C4 | N9 | C8 | 180.0° | 179.8° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C4 | N3 | C2 | H7 | 179.6° | 180.0° |
| O3' | C3' | C2' | C4' | 117.4° | 118.6° |
| O3' | C3' | C2' | H3 | 122.8° | 122.6° |
| O3' | C3' | C2' | C1' | 79.9° | 97.8° |
| O3' | C3' | C4' | H3 | 125.5° | 122.5° |
| O3' | C3' | C4' | O4' | 84.0° | 120.7° |
| O3' | C3' | C4' | C5' | 157.3° | 119.9° |
| O3' | C3' | C2' | H4 | 166.0° | 144.0° |
| O3' | C3' | C4' | H11 | 37.1° | 1.3° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| N1 | C6 | C5 | N6 | 179.5° | 180.0° |
| N1 | C6 | C5 | N7 | 179.4° | 180.0° |
| C6 | N1 | C2 | H7 | 179.3° | 180.0° |
| N1 | C6 | N6 | H8 | 0.0° | 0.0° |
| N1 | C6 | N6 | H9 | 120.0° | 180.0° |
| O56 | SS4 | CS2 | OS4 | 119.0° | 136.7° |
| O56 | SS4 | CS2 | OS5 | 120.1° | 111.7° |
| O56 | SS4 | CS2 | CS1 | 172.1° | 68.4° |
| O56 | SS4 | OS4 | OS5 | 127.9° | 116.8° |
| O56 | SS4 | CS2 | H36 | 61.2° | 171.6° |
| O56 | SS4 | OS5 | H40 | 0.0° | 63.9° |
| S | CS1 | CS2 | SS4 | 101.4° | 160.0° |
| S | CS1 | CS2 | OS1 | 178.6° | 180.0° |
| CS1 | S | CP1 | CP2 | 67.5° | 180.0° |
| CS1 | S | CP1 | H34 | 52.8° | 60.0° |
| CS1 | S | CP1 | H35 | 172.1° | 60.0° |
| S | CS1 | CS2 | H36 | 133.4° | 40.0° |
| CP1 | S | CS1 | CS2 | 159.1° | 180.0° |
| CP1 | S | CS1 | OS1 | 22.3° | 0.0° |
| S | CP1 | CP2 | H34 | 120.3° | 120.0° |
| S | CP1 | CP2 | H35 | 120.4° | 120.0° |
| S | CP1 | CP2 | NP1 | 173.5° | 180.0° |
| S | CP1 | CP2 | H32 | 53.8° | 60.0° |
| S | CP1 | CP2 | H33 | 66.7° | 60.0° |
| S | CP1 | H34 | H35 | 118.9° | 120.0° |
| SS4 | CS2 | CS1 | H36 | 125.2° | 120.0° |
| CS2 | SS4 | OS4 | OS5 | 118.7° | 111.8° |
| SS4 | CS2 | CS1 | OS1 | 80.0° | 20.0° |
| SS4 | CS2 | CS3 | H37 | 180.0° | 59.9° |
| SS4 | CS2 | CS3 | H38 | 60.0° | 60.0° |
| SS4 | CS2 | CS3 | H39 | 60.0° | 180.0° |
| CS2 | SS4 | OS5 | H40 | 114.9° | 180.0° |
| CS1 | CS2 | SS4 | OS4 | 53.1° | 68.3° |
| CS1 | CS2 | SS4 | OS5 | 67.9° | 180.0° |
| CS1 | CS2 | CS3 | H37 | 64.0° | 180.0° |
| CS1 | CS2 | CS3 | H38 | 176.0° | 60.0° |
| CS1 | CS2 | CS3 | H39 | 56.0° | 60.0° |
| OS4 | SS4 | CS2 | H36 | 179.8° | 51.7° |
| OS4 | SS4 | OS5 | H40 | 128.0° | 64.0° |
| C3' | C2' | C1' | H4 | 114.2° | 118.2° |
| C2' | C3' | C4' | H3 | 119.9° | 118.8° |
| C3' | C2' | C1' | N9 | 157.1° | 155.5° |
| C3' | C2' | C1' | O4' | 33.8° | 37.1° |
| C2' | C3' | C4' | O4' | 30.6° | 2.0° |
| C2' | C3' | C4' | C5' | 88.0° | 121.4° |
| C3' | C2' | O2' | H5 | 180.0° | 180.0° |
| C3' | C2' | C1' | H6 | 85.0° | 81.6° |
| C2' | C3' | C4' | H11 | 151.7° | 117.4° |
| C2' | C1' | N9 | C4 | 124.6° | 85.3° |
| C1' | C2' | C3' | C4' | 37.6° | 20.9° |
| C2' | C1' | N9 | O4' | 121.6° | 114.1° |
| C2' | C1' | N9 | H6 | 117.6° | 122.8° |
| C2' | C1' | O4' | H6 | 118.2° | 118.6° |
| C2' | C1' | N9 | C8 | 57.3° | 95.0° |
| C2' | C1' | O4' | C4' | 16.4° | 40.1° |
| C1' | C2' | C3' | H3 | 157.3° | 139.6° |
| C1' | C2' | O2' | H5 | 68.4° | 67.3° |
| N9 | C4 | C5 | C6 | 179.0° | 180.0° |
| C4 | N9 | C1' | C8 | 178.2° | 179.8° |
| C4 | N9 | C1' | O4' | 113.8° | 160.7° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C1' | H6 | 6.9° | 37.6° |
| C4 | N9 | C8 | H10 | 179.8° | 179.7° |
| C4 | C5 | C6 | N7 | 178.9° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| C5 | C4 | N9 | C8 | 0.3° | 0.2° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| OS5 | SS4 | CS2 | H36 | 58.9° | 59.9° |
| OS1 | CS1 | CS2 | H36 | 45.2° | 140.0° |
| C3' | C4' | O4' | C1' | 8.7° | 26.5° |
| C3' | C4' | O4' | C5' | 116.4° | 119.4° |
| C3' | C4' | O4' | H11 | 120.3° | 119.4° |
| C3' | C4' | C5' | H11 | 120.4° | 121.1° |
| C3' | C4' | C5' | O5' | 32.2° | 175.0° |
| C4' | C3' | C2' | H4 | 76.6° | 97.3° |
| C3' | C4' | C5' | H12 | 151.7° | 55.1° |
| C3' | C4' | C5' | H13 | 87.3° | 65.0° |
| C6 | C5 | N7 | C8 | 178.8° | 179.8° |
| C5 | C6 | N6 | H8 | 179.5° | 180.0° |
| C5 | C6 | N6 | H9 | 59.5° | 0.0° |
| N6 | C6 | C5 | N7 | 1.1° | 0.0° |
| C6 | N6 | H8 | H9 | 120.0° | 180.0° |
| N9 | C1' | O4' | H6 | 120.5° | 123.0° |
| N9 | C1' | O4' | C4' | 137.7° | 158.6° |
| C1' | N9 | C8 | N7 | 178.6° | 179.9° |
| N9 | C1' | C2' | H4 | 42.9° | 37.3° |
| C1' | N9 | C8 | H10 | 1.5° | 0.1° |
| O4' | C1' | N9 | C8 | 64.4° | 19.1° |
| C1' | O4' | C4' | C5' | 107.7° | 145.9° |
| O4' | C1' | C2' | H4 | 80.5° | 81.1° |
| C1' | O4' | C4' | H11 | 129.0° | 92.8° |
| CP1 | CP2 | NP1 | H32 | 119.8° | 120.0° |
| CP1 | CP2 | NP1 | H33 | 119.8° | 119.9° |
| CP1 | CP2 | NP1 | CP3 | 118.5° | 179.9° |
| CP1 | CP2 | NP1 | H31 | 61.5° | 0.0° |
| CP1 | CP2 | H32 | H33 | 120.6° | 119.9° |
| CP2 | CP1 | H34 | H35 | 119.0° | 120.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.3° |
| N9 | C8 | N7 | H10 | 180.0° | 180.0° |
| C8 | N9 | C1' | H6 | 174.9° | 142.2° |
| C5 | N7 | C8 | H10 | 180.0° | 179.7° |
| O4' | C4' | C5' | H11 | 124.0° | 121.1° |
| O4' | C4' | C5' | O5' | 83.5° | 67.2° |
| O4' | C4' | C3' | H3 | 150.4° | 116.8° |
| C4' | O4' | C1' | H6 | 101.8° | 78.5° |
| O4' | C4' | C5' | H12 | 36.0° | 172.8° |
| O4' | C4' | C5' | H13 | 157.0° | 52.7° |
| C4' | C5' | O5' | H12 | 119.5° | 120.0° |
| C4' | C5' | O5' | H13 | 119.5° | 120.0° |
| C4' | C5' | O5' | P1 | 147.4° | 180.0° |
| C5' | C4' | C3' | H3 | 31.8° | 2.6° |
| C4' | C5' | H12 | H13 | 121.5° | 120.1° |
| CP2 | NP1 | CP3 | OP1 | 5.6° | 0.1° |
| CP2 | NP1 | CP3 | H31 | 180.0° | 180.0° |
| CP2 | NP1 | CP3 | CP4 | 171.0° | 180.0° |
| NP1 | CP2 | H32 | H33 | 120.6° | 120.0° |
| NP1 | CP2 | CP1 | H34 | 66.1° | 60.0° |
| NP1 | CP2 | CP1 | H35 | 53.2° | 60.0° |
| OP1 | CP3 | CP4 | CP5 | 53.6° | 0.0° |
| OP1 | CP3 | NP1 | CP4 | 176.6° | 179.9° |
| OP1 | CP3 | CP4 | H29 | 173.3° | 120.0° |
| OP1 | CP3 | CP4 | H30 | 66.0° | 120.0° |
| OP1 | CP3 | NP1 | H31 | 174.4° | 180.0° |
| NP2 | CP5 | CP4 | H27 | 120.5° | 120.1° |
| NP2 | CP5 | CP4 | H28 | 120.5° | 120.0° |
| NP2 | CP5 | CP4 | CP3 | 179.0° | 179.9° |
| CP5 | NP2 | CP6 | H26 | 180.0° | 179.9° |
| CP5 | NP2 | CP6 | OP2 | 1.4° | 4.7° |
| CP5 | NP2 | CP6 | CP7 | 179.1° | 175.3° |
| NP2 | CP5 | H27 | H28 | 118.7° | 120.0° |
| NP2 | CP5 | CP4 | H29 | 59.3° | 60.0° |
| NP2 | CP5 | CP4 | H30 | 61.4° | 60.1° |
| CP5 | CP4 | CP3 | NP1 | 123.1° | 179.9° |
| CP5 | CP4 | CP3 | H29 | 119.7° | 120.0° |
| CP5 | CP4 | CP3 | H30 | 119.6° | 120.0° |
| CP4 | CP5 | NP2 | CP6 | 78.3° | 180.0° |
| CP4 | CP5 | NP2 | H26 | 101.6° | 0.1° |
| CP4 | CP5 | H27 | H28 | 118.6° | 119.9° |
| CP5 | CP4 | H29 | H30 | 121.0° | 120.0° |
| NP1 | CP3 | CP4 | H29 | 3.4° | 60.1° |
| NP1 | CP3 | CP4 | H30 | 117.3° | 59.9° |
| CP3 | NP1 | CP2 | H32 | 1.3° | 60.0° |
| CP3 | NP1 | CP2 | H33 | 121.8° | 60.0° |
| CP3 | CP4 | CP5 | H27 | 60.6° | 60.0° |
| CP3 | CP4 | CP5 | H28 | 58.5° | 60.0° |
| CP3 | CP4 | H29 | H30 | 121.0° | 120.0° |
| CP4 | CP3 | NP1 | H31 | 9.0° | 0.1° |
| C5' | O5' | P1 | O12 | 177.7° | 55.0° |
| C5' | O5' | P1 | O11 | 55.8° | 65.0° |
| C5' | O5' | P1 | O6 | 57.1° | 175.0° |
| O5' | C5' | C4' | H11 | 152.5° | 53.9° |
| O5' | C5' | H12 | H13 | 121.5° | 120.0° |
| O5' | P1 | O12 | O11 | 118.7° | 120.0° |
| O5' | P1 | O12 | O6 | 122.0° | 120.0° |
| O5' | P1 | O11 | O6 | 113.1° | 120.0° |
| O5' | P1 | O6 | P2 | 152.8° | 160.0° |
| P1 | O5' | C5' | H12 | 93.1° | 60.0° |
| P1 | O5' | C5' | H13 | 27.9° | 60.0° |
| O5' | P1 | O11 | H14 | 123.8° | 60.1° |
| O12 | P1 | O11 | O6 | 123.1° | 120.0° |
| O12 | P1 | O6 | P2 | 26.9° | 40.0° |
| O12 | P1 | O11 | H14 | 0.0° | 180.0° |
| O11 | P1 | O6 | P2 | 95.2° | 80.0° |
| NP2 | CP6 | CP7 | OP3 | 12.3° | 169.3° |
| NP2 | CP6 | OP2 | CP7 | 179.4° | 180.0° |
| NP2 | CP6 | CP7 | CPA | 106.3° | 70.7° |
| NP2 | CP6 | CP7 | H24 | 132.7° | 49.2° |
| CP6 | NP2 | CP5 | H27 | 42.1° | 59.9° |
| CP6 | NP2 | CP5 | H28 | 161.2° | 60.1° |
| P1 | O6 | P2 | O22 | 41.1° | 45.0° |
| P1 | O6 | P2 | O7 | 76.7° | 165.0° |
| P1 | O6 | P2 | O21 | 166.6° | 75.0° |
| O6 | P1 | O11 | H14 | 123.1° | 60.0° |
| OP3 | CP7 | CP6 | OP2 | 168.2° | 10.8° |
| OP3 | CP7 | CP6 | CPA | 118.7° | 120.0° |
| OP3 | CP7 | CP6 | H24 | 120.3° | 120.0° |
| OP3 | CP7 | CPA | H24 | 120.1° | 120.0° |
| OP3 | CP7 | CPA | CP8 | 68.0° | 54.3° |
| OP3 | CP7 | CPA | CPB | 50.9° | 65.7° |
| OP3 | CP7 | CPA | CP9 | 171.0° | 174.3° |
| OP2 | CP6 | CP7 | CPA | 73.1° | 109.2° |
| OP2 | CP6 | CP7 | H24 | 47.8° | 130.8° |
| OP2 | CP6 | NP2 | H26 | 178.6° | 175.2° |
| CP6 | CP7 | CPA | H24 | 121.2° | 120.0° |
| CP6 | CP7 | CPA | CP8 | 50.7° | 174.4° |
| CP6 | CP7 | CPA | CPB | 169.6° | 54.4° |
| CP6 | CP7 | CPA | CP9 | 70.2° | 65.6° |
| CP6 | CP7 | OP3 | H25 | 180.0° | 60.0° |
| CP7 | CP6 | NP2 | H26 | 0.9° | 4.8° |
| CP7 | CPA | CP8 | CPB | 120.8° | 120.0° |
| CP7 | CPA | CP8 | CP9 | 120.7° | 120.0° |
| CP7 | CPA | CPB | CP9 | 120.8° | 120.0° |
| CP7 | CPA | CPB | O7 | 53.4° | 180.0° |
| CP7 | CPA | CPB | H16 | 173.4° | 60.0° |
| CP7 | CPA | CPB | H17 | 66.7° | 60.0° |
| CP7 | CPA | CP9 | H18 | 180.0° | 54.7° |
| CP7 | CPA | CP9 | H19 | 60.0° | 65.3° |
| CP7 | CPA | CP9 | H20 | 60.0° | 174.7° |
| CP7 | CPA | CP8 | H21 | 180.0° | 66.8° |
| CP7 | CPA | CP8 | H22 | 60.0° | 53.3° |
| CP7 | CPA | CP8 | H23 | 60.0° | 173.2° |
| CPA | CP7 | OP3 | H25 | 58.9° | 60.0° |
| O6 | P2 | O22 | O7 | 119.9° | 120.0° |
| O6 | P2 | O22 | O21 | 118.7° | 120.0° |
| O6 | P2 | O7 | O21 | 115.2° | 120.0° |
| O6 | P2 | O7 | CPB | 58.0° | 175.0° |
| O6 | P2 | O21 | H15 | 120.1° | 60.1° |
| O22 | P2 | O7 | O21 | 126.7° | 120.1° |
| O22 | P2 | O7 | CPB | 176.1° | 55.0° |
| O22 | P2 | O21 | H15 | 0.0° | 180.0° |
| CP8 | CPA | CPB | CP9 | 119.5° | 120.0° |
| CP8 | CPA | CPB | O7 | 173.1° | 60.0° |
| CP8 | CPA | CPB | H16 | 66.8° | 60.0° |
| CP8 | CPA | CPB | H17 | 53.1° | 179.9° |
| CP8 | CPA | CP9 | H18 | 59.6° | 65.3° |
| CP8 | CPA | CP9 | H19 | 179.6° | 174.7° |
| CP8 | CPA | CP9 | H20 | 60.4° | 54.7° |
| CPA | CP8 | H21 | H22 | 120.0° | 120.1° |
| CPA | CP8 | H21 | H23 | 120.0° | 120.0° |
| CPA | CP8 | H22 | H23 | 120.0° | 119.9° |
| CP8 | CPA | CP7 | H24 | 171.9° | 65.7° |
| CPA | CPB | O7 | P2 | 158.6° | 180.0° |
| CPA | CPB | O7 | H16 | 120.1° | 120.0° |
| CPA | CPB | O7 | H17 | 120.1° | 120.0° |
| CPA | CPB | H16 | H17 | 119.8° | 120.0° |
| CPB | CPA | CP9 | H18 | 58.5° | 174.7° |
| CPB | CPA | CP9 | H19 | 61.6° | 54.7° |
| CPB | CPA | CP9 | H20 | 178.4° | 65.3° |
| CPB | CPA | CP8 | H21 | 59.2° | 53.2° |
| CPB | CPA | CP8 | H22 | 179.2° | 173.3° |
| CPB | CPA | CP8 | H23 | 60.8° | 66.8° |
| CPB | CPA | CP7 | H24 | 69.2° | 174.3° |
| CP9 | CPA | CPB | O7 | 67.4° | 60.0° |
| CP9 | CPA | CPB | H16 | 52.6° | 180.0° |
| CP9 | CPA | CPB | H17 | 172.5° | 60.0° |
| CPA | CP9 | H18 | H19 | 120.0° | 119.9° |
| CPA | CP9 | H18 | H20 | 120.0° | 120.0° |
| CPA | CP9 | H19 | H20 | 120.0° | 120.0° |
| CP9 | CPA | CP8 | H21 | 59.3° | 173.2° |
| CP9 | CPA | CP8 | H22 | 60.7° | 66.7° |
| CP9 | CPA | CP8 | H23 | 179.3° | 53.2° |
| CP9 | CPA | CP7 | H24 | 50.9° | 54.3° |
| O7 | P2 | O21 | H15 | 121.3° | 59.9° |
| P2 | O7 | CPB | H16 | 81.3° | 60.0° |
| P2 | O7 | CPB | H17 | 38.6° | 60.0° |
| O21 | P2 | O7 | CPB | 57.2° | 65.1° |
| O7 | CPB | H16 | H17 | 119.8° | 120.0° |
| H3 | C3' | C2' | H4 | 43.2° | 21.4° |
| H3 | C3' | C4' | H11 | 88.4° | 123.8° |
| H4 | C2' | O2' | H5 | 55.3° | 56.4° |
| H4 | C2' | C1' | H6 | 160.8° | 160.2° |
| H11 | C4' | C5' | H12 | 88.0° | 66.0° |
| H11 | C4' | C5' | H13 | 33.0° | 173.9° |
| H18 | CP9 | H19 | H20 | 120.0° | 120.0° |
| H21 | CP8 | H22 | H23 | 119.9° | 120.0° |
| H24 | CP7 | OP3 | H25 | 60.3° | 180.0° |
| H26 | NP2 | CP5 | H27 | 137.9° | 120.0° |
| H26 | NP2 | CP5 | H28 | 18.8° | 120.0° |
| H27 | CP5 | CP4 | H29 | 179.8° | 179.9° |
| H27 | CP5 | CP4 | H30 | 59.1° | 60.0° |
| H28 | CP5 | CP4 | H29 | 61.1° | 60.0° |
| H28 | CP5 | CP4 | H30 | 178.2° | 180.0° |
| H31 | NP1 | CP2 | H32 | 178.7° | 120.0° |
| H31 | NP1 | CP2 | H33 | 58.3° | 120.0° |
| H32 | CP2 | CP1 | H34 | 174.1° | 180.0° |
| H32 | CP2 | CP1 | H35 | 66.6° | 60.0° |
| H33 | CP2 | CP1 | H34 | 53.7° | 60.0° |
| H33 | CP2 | CP1 | H35 | 173.0° | NaN° |
| H36 | CS2 | CS3 | H37 | 60.8° | 60.0° |
| H36 | CS2 | CS3 | H38 | 59.2° | 180.0° |
| H36 | CS2 | CS3 | H39 | 179.2° | 60.0° |
| H37 | CS3 | H38 | H39 | 120.0° | 120.0° |
