MCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | P3 | sing | 1.61Å | 1.61Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.46Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O11 | doub | 1.48Å | 1.45Å | |
| P1 | O12 | sing | 1.61Å | 1.48Å | |
| P1 | O6 | sing | 1.61Å | 1.61Å | |
| O12 | HOC | sing | 0.97Å | 0.95Å | |
| O6 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O21 | doub | 1.48Å | 1.46Å | |
| P2 | O22 | sing | 1.61Å | 1.48Å | |
| P2 | O7 | sing | 1.61Å | 1.59Å | |
| O22 | HOM | sing | 0.97Å | 0.95Å | |
| O7 | CPB | sing | 1.43Å | 1.44Å | |
| CPB | CPA | sing | 1.53Å | 1.54Å | |
| CPB | HPB1 | sing | 1.09Å | 1.12Å | |
| CPB | HPB2 | sing | 1.09Å | 1.12Å | |
| CPA | CP7 | sing | 1.53Å | 1.54Å | |
| CPA | CP9 | sing | 1.53Å | 1.50Å | |
| CPA | CP8 | sing | 1.53Å | 1.54Å | |
| CP7 | OP3 | sing | 1.43Å | 1.44Å | |
| CP7 | CP6 | sing | 1.51Å | 1.52Å | |
| CP7 | H7 | sing | 1.09Å | 1.11Å | |
| CP9 | H91 | sing | 1.09Å | 1.11Å | |
| CP9 | H92 | sing | 1.09Å | 1.12Å | |
| CP9 | H93 | sing | 1.09Å | 1.12Å | |
| CP8 | H81 | sing | 1.09Å | 1.11Å | |
| CP8 | H82 | sing | 1.09Å | 1.11Å | |
| CP8 | H83 | sing | 1.09Å | 1.12Å | |
| OP3 | HO3 | sing | 0.97Å | 0.95Å | |
| CP6 | OP2 | doub | 1.21Å | 1.23Å | |
| CP6 | NP2 | sing | 1.35Å | 1.32Å | |
| NP2 | CP5 | sing | 1.47Å | 1.46Å | |
| NP2 | HN2 | sing | 0.97Å | 1.02Å | |
| CP5 | CP4 | sing | 1.53Å | 1.50Å | |
| CP5 | H51 | sing | 1.09Å | 1.12Å | |
| CP5 | H52 | sing | 1.09Å | 1.11Å | |
| CP4 | CP3 | sing | 1.51Å | 1.50Å | |
| CP4 | H41 | sing | 1.09Å | 1.11Å | |
| CP4 | H42 | sing | 1.09Å | 1.12Å | |
| CP3 | OP1 | doub | 1.21Å | 1.26Å | |
| CP3 | NP1 | sing | 1.35Å | 1.33Å | |
| NP1 | CP2 | sing | 1.46Å | 1.49Å | |
| NP1 | HN1 | sing | 0.97Å | 1.02Å | |
| CP2 | CP1 | sing | 1.53Å | 1.51Å | |
| CP2 | H21 | sing | 1.09Å | 1.12Å | |
| CP2 | H22 | sing | 1.09Å | 1.11Å | |
| CP1 | S | sing | 1.81Å | 1.78Å | |
| CP1 | H11 | sing | 1.09Å | 1.11Å | |
| CP1 | H12 | sing | 1.09Å | 1.12Å | |
| P3 | O31 | doub | 1.48Å | 1.49Å | |
| P3 | O32 | sing | 1.61Å | 1.51Å | |
| P3 | O33 | sing | 1.61Å | 1.52Å | |
| O32 | HOW | sing | 0.97Å | 0.95Å | |
| O33 | HOX | sing | 0.97Å | 0.95Å | |
| S | CS1 | sing | 1.71Å | 1.77Å | |
| CS1 | OS1 | doub | 1.21Å | 1.19Å | |
| CS1 | CS2 | sing | 1.51Å | 1.48Å | |
| CS2 | CS3 | sing | 1.53Å | 1.51Å | |
| CS2 | CS4 | sing | 1.51Å | 1.51Å | |
| CS2 | HS2 | sing | 1.09Å | 1.12Å | |
| CS3 | H31 | sing | 1.09Å | 1.12Å | |
| CS3 | H32 | sing | 1.09Å | 1.12Å | |
| CS3 | H33 | sing | 1.09Å | 1.11Å | |
| CS4 | OS4 | sing | 1.34Å | 1.21Å | |
| CS4 | OS5 | doub | 1.21Å | 1.24Å | |
| OS4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | C8 | N7 | 114.2° | 110.0° |
| N9 | C8 | H8 | 124.7° | 125.0° |
| C8 | N9 | C4 | 105.5° | 107.4° |
| C8 | N9 | C1' | 127.9° | 126.3° |
| N7 | C8 | H8 | 121.2° | 125.0° |
| C8 | N7 | C5 | 103.6° | 109.4° |
| C4 | N9 | C1' | 126.6° | 126.3° |
| N9 | C4 | C5 | 106.1° | 106.0° |
| N9 | C4 | N3 | 126.8° | 134.9° |
| N9 | C1' | C2' | 109.2° | 110.7° |
| N9 | C1' | O4' | 110.9° | 110.6° |
| N9 | C1' | H1' | 107.5° | 110.5° |
| C5 | C4 | N3 | 127.1° | 119.0° |
| C4 | C5 | N7 | 110.7° | 107.1° |
| C4 | C5 | C6 | 117.4° | 118.2° |
| C4 | N3 | C2 | 110.2° | 120.7° |
| N7 | C5 | C6 | 131.9° | 134.7° |
| C5 | C6 | N1 | 116.2° | 118.5° |
| C5 | C6 | N6 | 125.3° | 120.7° |
| N3 | C2 | N1 | 128.4° | 122.5° |
| N3 | C2 | H2 | 115.9° | 118.8° |
| N1 | C2 | H2 | 115.7° | 118.7° |
| C2 | N1 | C6 | 120.7° | 121.2° |
| N1 | C6 | N6 | 118.6° | 120.8° |
| C6 | N6 | HN61 | 125.3° | 120.0° |
| C6 | N6 | HN62 | 106.6° | 120.0° |
| HN61 | N6 | HN62 | 106.6° | 120.0° |
| C2' | C1' | O4' | 105.7° | 103.5° |
| C2' | C1' | H1' | 112.5° | 110.6° |
| C1' | C2' | O2' | 111.2° | 110.9° |
| C1' | C2' | C3' | 101.7° | 102.1° |
| C1' | C2' | H2' | 114.5° | 110.9° |
| O4' | C1' | H1' | 110.9° | 110.7° |
| C1' | O4' | C4' | 110.4° | 107.0° |
| O2' | C2' | C3' | 112.6° | 110.9° |
| O2' | C2' | H2' | 104.0° | 110.8° |
| C2' | O2' | HO2' | 111.1° | 106.8° |
| C3' | C2' | H2' | 113.2° | 110.9° |
| C2' | C3' | O3' | 107.1° | 110.5° |
| C2' | C3' | C4' | 101.6° | 104.0° |
| C2' | C3' | H3' | 116.5° | 110.5° |
| O3' | C3' | C4' | 111.5° | 110.7° |
| O3' | C3' | H3' | 107.5° | 110.4° |
| C3' | O3' | P3 | 124.5° | 106.8° |
| C4' | C3' | H3' | 112.5° | 110.4° |
| C3' | C4' | O4' | 104.7° | 107.4° |
| C3' | C4' | C5' | 116.1° | 109.9° |
| C3' | C4' | H4' | 108.5° | 109.9° |
| O3' | P3 | O31 | 110.2° | 109.5° |
| O3' | P3 | O32 | 105.6° | 109.5° |
| O3' | P3 | O33 | 105.8° | 109.5° |
| O4' | C4' | C5' | 110.0° | 109.9° |
| O4' | C4' | H4' | 114.8° | 109.9° |
| C5' | C4' | H4' | 103.0° | 109.9° |
| C4' | C5' | O5' | 111.8° | 109.5° |
| C4' | C5' | H5'1 | 111.4° | 109.5° |
| C4' | C5' | H5'2 | 111.4° | 109.5° |
| O5' | C5' | H5'1 | 111.3° | 109.5° |
| O5' | C5' | H5'2 | 111.3° | 109.4° |
| C5' | O5' | P1 | 117.2° | 106.8° |
| H5'1 | C5' | H5'2 | 99.0° | 109.5° |
| O5' | P1 | O11 | 111.1° | 109.4° |
| O5' | P1 | O12 | 105.3° | 109.5° |
| O5' | P1 | O6 | 98.8° | 109.5° |
| O11 | P1 | O12 | 121.7° | 109.5° |
| O11 | P1 | O6 | 109.9° | 109.5° |
| O12 | P1 | O6 | 107.6° | 109.5° |
| P1 | O12 | HOC | 105.2° | 106.7° |
| P1 | O6 | P2 | 132.7° | 106.8° |
| O6 | P2 | O21 | 110.0° | 109.5° |
| O6 | P2 | O22 | 105.8° | 109.5° |
| O6 | P2 | O7 | 100.3° | 109.4° |
| O21 | P2 | O22 | 124.7° | 109.5° |
| O21 | P2 | O7 | 104.8° | 109.5° |
| O22 | P2 | O7 | 108.6° | 109.4° |
| P2 | O22 | HOM | 105.8° | 106.8° |
| P2 | O7 | CPB | 122.7° | 106.8° |
| O7 | CPB | CPA | 109.4° | 109.5° |
| O7 | CPB | HPB1 | 112.2° | 109.5° |
| O7 | CPB | HPB2 | 112.3° | 109.5° |
| CPA | CPB | HPB1 | 112.2° | 109.4° |
| CPA | CPB | HPB2 | 112.2° | 109.5° |
| CPB | CPA | CP7 | 109.9° | 109.4° |
| CPB | CPA | CP9 | 109.6° | 109.5° |
| CPB | CPA | CP8 | 111.5° | 109.5° |
| HPB1 | CPB | HPB2 | 98.2° | 109.5° |
| CP7 | CPA | CP9 | 108.5° | 109.4° |
| CP7 | CPA | CP8 | 109.4° | 109.5° |
| CPA | CP7 | OP3 | 108.7° | 109.5° |
| CPA | CP7 | CP6 | 119.3° | 109.4° |
| CPA | CP7 | H7 | 101.6° | 109.5° |
| CP9 | CPA | CP8 | 107.9° | 109.5° |
| CPA | CP9 | H91 | 109.7° | 109.5° |
| CPA | CP9 | H92 | 112.2° | 109.5° |
| CPA | CP9 | H93 | 112.2° | 109.4° |
| CPA | CP8 | H81 | 111.4° | 109.5° |
| CPA | CP8 | H82 | 111.5° | 109.5° |
| CPA | CP8 | H83 | 111.4° | 109.5° |
| OP3 | CP7 | CP6 | 104.4° | 109.5° |
| OP3 | CP7 | H7 | 117.2° | 109.5° |
| CP7 | OP3 | HO3 | 108.7° | 106.8° |
| CP6 | CP7 | H7 | 106.2° | 109.4° |
| CP7 | CP6 | OP2 | 123.0° | 120.0° |
| CP7 | CP6 | NP2 | 115.0° | 120.0° |
| H91 | CP9 | H92 | 112.1° | 109.5° |
| H91 | CP9 | H93 | 112.1° | 109.5° |
| H92 | CP9 | H93 | 98.3° | 109.5° |
| H81 | CP8 | H82 | 111.5° | 109.4° |
| H81 | CP8 | H83 | 111.5° | 109.5° |
| H82 | CP8 | H83 | 98.9° | 109.5° |
| OP2 | CP6 | NP2 | 122.0° | 120.0° |
| CP6 | NP2 | CP5 | 122.0° | 120.0° |
| CP6 | NP2 | HN2 | 113.9° | 120.0° |
| CP5 | NP2 | HN2 | 124.1° | 120.0° |
| NP2 | CP5 | CP4 | 112.8° | 109.5° |
| NP2 | CP5 | H51 | 111.0° | 109.5° |
| NP2 | CP5 | H52 | 111.0° | 109.5° |
| CP4 | CP5 | H51 | 111.0° | 109.5° |
| CP4 | CP5 | H52 | 111.0° | 109.4° |
| CP5 | CP4 | CP3 | 115.4° | 109.5° |
| CP5 | CP4 | H41 | 110.1° | 109.5° |
| CP5 | CP4 | H42 | 110.0° | 109.5° |
| H51 | CP5 | H52 | 99.3° | 109.5° |
| CP3 | CP4 | H41 | 110.0° | 109.4° |
| CP3 | CP4 | H42 | 110.0° | 109.5° |
| CP4 | CP3 | OP1 | 123.3° | 120.0° |
| CP4 | CP3 | NP1 | 115.6° | 120.0° |
| H41 | CP4 | H42 | 100.2° | 109.5° |
| OP1 | CP3 | NP1 | 121.1° | 120.0° |
| CP3 | NP1 | CP2 | 115.2° | 120.0° |
| CP3 | NP1 | HN1 | 117.3° | 120.0° |
| CP2 | NP1 | HN1 | 127.4° | 120.0° |
| NP1 | CP2 | CP1 | 105.3° | 109.5° |
| NP1 | CP2 | H21 | 113.8° | 109.5° |
| NP1 | CP2 | H22 | 113.9° | 109.5° |
| CP1 | CP2 | H21 | 113.8° | 109.4° |
| CP1 | CP2 | H22 | 113.7° | 109.4° |
| CP2 | CP1 | S | 116.8° | 109.5° |
| CP2 | CP1 | H11 | 109.6° | 109.5° |
| CP2 | CP1 | H12 | 109.6° | 109.4° |
| H21 | CP2 | H22 | 96.7° | 109.5° |
| S | CP1 | H11 | 109.6° | 109.5° |
| S | CP1 | H12 | 109.5° | 109.5° |
| CP1 | S | CS1 | 98.5° | 100.0° |
| H11 | CP1 | H12 | 100.6° | 109.4° |
| O31 | P3 | O32 | 113.3° | 109.5° |
| O31 | P3 | O33 | 111.1° | 109.5° |
| O32 | P3 | O33 | 110.4° | 109.4° |
| P3 | O32 | HOW | 105.6° | 106.8° |
| P3 | O33 | HOX | 105.8° | 106.8° |
| S | CS1 | OS1 | 127.8° | 120.0° |
| S | CS1 | CS2 | 111.0° | 120.0° |
| OS1 | CS1 | CS2 | 121.3° | 120.0° |
| CS1 | CS2 | CS3 | 108.7° | 109.5° |
| CS1 | CS2 | CS4 | 117.1° | 109.5° |
| CS1 | CS2 | HS2 | 103.9° | 109.5° |
| CS3 | CS2 | CS4 | 106.7° | 109.5° |
| CS3 | CS2 | HS2 | 114.7° | 109.5° |
| CS2 | CS3 | H31 | 108.8° | 109.5° |
| CS2 | CS3 | H32 | 112.5° | 109.5° |
| CS2 | CS3 | H33 | 112.5° | 109.5° |
| CS4 | CS2 | HS2 | 106.0° | 109.5° |
| CS2 | CS4 | OS4 | 122.6° | 120.0° |
| CS2 | CS4 | OS5 | 112.6° | 120.0° |
| H31 | CS3 | H32 | 112.4° | 109.5° |
| H31 | CS3 | H33 | 112.4° | 109.5° |
| H32 | CS3 | H33 | 97.9° | 109.4° |
| OS4 | CS4 | OS5 | 124.9° | 120.1° |
| CS4 | OS4 | HO4 | 122.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C4 | C1' | 179.1° | 179.7° |
| C8 | N9 | C4 | C5 | 0.5° | 0.4° |
| C8 | N9 | C4 | N3 | 179.9° | 179.4° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C1' | C2' | 75.6° | 85.6° |
| C8 | N9 | C1' | O4' | 40.6° | 28.5° |
| C8 | N9 | C1' | H1' | 162.0° | 151.5° |
| N7 | C8 | N9 | C4 | 0.3° | 0.3° |
| N7 | C8 | N9 | C1' | 179.4° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| H8 | C8 | N9 | C4 | 179.7° | 179.7° |
| H8 | C8 | N9 | C1' | 0.6° | 0.0° |
| H8 | C8 | N7 | C5 | 180.0° | 180.0° |
| N9 | C4 | C5 | N3 | 179.4° | 179.2° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.7° | 179.8° |
| N9 | C4 | N3 | C2 | 179.5° | 179.5° |
| C4 | N9 | C1' | C2' | 103.3° | 94.1° |
| C4 | N9 | C1' | O4' | 140.6° | 151.8° |
| C4 | N9 | C1' | H1' | 19.1° | 28.8° |
| C1' | N9 | C4 | C5 | 179.5° | 179.9° |
| C1' | N9 | C4 | N3 | 1.1° | 0.8° |
| N9 | C1' | C2' | O4' | 119.4° | 118.5° |
| N9 | C1' | C2' | H1' | 119.3° | 122.9° |
| N9 | C1' | O4' | H1' | 119.4° | 122.9° |
| N9 | C1' | C2' | O2' | 89.0° | 86.2° |
| N9 | C1' | C2' | C3' | 150.9° | 155.6° |
| N9 | C1' | C2' | H2' | 28.5° | 37.4° |
| N9 | C1' | O4' | C4' | 129.2° | 158.7° |
| C4 | C5 | N7 | C6 | 179.8° | 179.8° |
| C5 | C4 | N3 | C2 | 0.2° | 0.6° |
| C4 | C5 | C6 | N1 | 0.0° | 0.2° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| N3 | C4 | C5 | N7 | 179.9° | 179.6° |
| N3 | C4 | C5 | C6 | 0.3° | 0.6° |
| C4 | N3 | C2 | N1 | 0.1° | 0.3° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.1° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C5 | C6 | N1 | N6 | 179.8° | 179.9° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.9° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.0° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| H2 | C2 | N1 | C6 | 179.7° | 179.9° |
| N1 | C6 | N6 | HN61 | 0.2° | 0.1° |
| N1 | C6 | N6 | HN62 | 125.0° | 179.9° |
| C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
| C2' | C1' | O4' | H1' | 122.3° | 118.5° |
| C1' | C2' | O2' | C3' | 113.4° | 112.7° |
| C1' | C2' | O2' | H2' | 123.7° | 123.7° |
| C1' | C2' | C3' | H2' | 123.3° | 118.2° |
| C1' | C2' | O2' | HO2' | 179.9° | 61.5° |
| C1' | C2' | C3' | O3' | 78.0° | 97.9° |
| C1' | C2' | C3' | C4' | 39.0° | 21.0° |
| C1' | C2' | C3' | H3' | 161.6° | 139.5° |
| C2' | C1' | O4' | C4' | 10.9° | 40.1° |
| O4' | C1' | C2' | O2' | 151.6° | 155.3° |
| O4' | C1' | C2' | C3' | 31.5° | 37.1° |
| O4' | C1' | C2' | H2' | 90.9° | 81.1° |
| C1' | O4' | C4' | C3' | 14.3° | 26.5° |
| C1' | O4' | C4' | C5' | 111.1° | 146.0° |
| C1' | O4' | C4' | H4' | 133.2° | 93.0° |
| H1' | C1' | C2' | O2' | 30.3° | 36.7° |
| H1' | C1' | C2' | C3' | 89.7° | 81.5° |
| H1' | C1' | C2' | H2' | 147.9° | 160.3° |
| H1' | C1' | O4' | C4' | 111.4° | 78.4° |
| O2' | C2' | C3' | H2' | 117.6° | 123.6° |
| O2' | C2' | C3' | O3' | 41.0° | 20.3° |
| O2' | C2' | C3' | C4' | 158.1° | 139.2° |
| O2' | C2' | C3' | H3' | 79.3° | 102.3° |
| C3' | C2' | O2' | HO2' | 66.7° | 174.2° |
| C2' | C3' | O3' | C4' | 110.4° | 114.7° |
| C2' | C3' | O3' | H3' | 125.9° | 122.6° |
| C2' | C3' | C4' | H3' | 125.3° | 118.6° |
| C2' | C3' | O3' | P3 | 105.8° | 121.5° |
| C2' | C3' | C4' | O4' | 33.4° | 2.0° |
| C2' | C3' | C4' | C5' | 88.1° | 121.4° |
| C2' | C3' | C4' | H4' | 156.5° | 117.5° |
| H2' | C2' | O2' | HO2' | 56.2° | 62.1° |
| H2' | C2' | C3' | O3' | 158.6° | 143.9° |
| H2' | C2' | C3' | C4' | 84.3° | 97.2° |
| H2' | C2' | C3' | H3' | 38.3° | 21.3° |
| O3' | C3' | C4' | H3' | 120.8° | 122.7° |
| O3' | C3' | C4' | O4' | 80.4° | 120.7° |
| O3' | C3' | C4' | C5' | 158.0° | 119.9° |
| O3' | C3' | C4' | H4' | 42.6° | 1.2° |
| C3' | O3' | P3 | O31 | 67.6° | 60.0° |
| C3' | O3' | P3 | O32 | 169.7° | 180.0° |
| C3' | O3' | P3 | O33 | 52.6° | 60.0° |
| C4' | C3' | O3' | P3 | 143.8° | 123.8° |
| C3' | C4' | O4' | C5' | 125.5° | 119.5° |
| C3' | C4' | O4' | H4' | 118.9° | 119.5° |
| C3' | C4' | C5' | H4' | 118.5° | 121.1° |
| C3' | C4' | C5' | O5' | 54.7° | 179.7° |
| C3' | C4' | C5' | H5'1 | 179.9° | 59.7° |
| C3' | C4' | C5' | H5'2 | 70.6° | 60.3° |
| H3' | C3' | O3' | P3 | 20.1° | 1.1° |
| H3' | C3' | C4' | O4' | 158.7° | 116.7° |
| H3' | C3' | C4' | C5' | 37.2° | 2.8° |
| H3' | C3' | C4' | H4' | 78.2° | 123.8° |
| O3' | P3 | O31 | O32 | 118.1° | 120.0° |
| O3' | P3 | O31 | O33 | 117.0° | 120.0° |
| O3' | P3 | O32 | O33 | 114.0° | 120.0° |
| O3' | P3 | O32 | HOW | 180.0° | 180.0° |
| O3' | P3 | O33 | HOX | 179.9° | 60.0° |
| O4' | C4' | C5' | H4' | 122.8° | 121.0° |
| O4' | C4' | C5' | O5' | 64.0° | 61.7° |
| O4' | C4' | C5' | H5'1 | 61.3° | 58.3° |
| O4' | C4' | C5' | H5'2 | 170.8° | 178.3° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
| C4' | C5' | O5' | P1 | 116.9° | 180.0° |
| H4' | C4' | C5' | O5' | 173.2° | 59.3° |
| H4' | C4' | C5' | H5'1 | 61.6° | 179.3° |
| H4' | C4' | C5' | H5'2 | 47.9° | 60.7° |
| O5' | C5' | H5'1 | H5'2 | 117.2° | 120.0° |
| C5' | O5' | P1 | O11 | 179.5° | 60.0° |
| C5' | O5' | P1 | O12 | 45.9° | 60.0° |
| C5' | O5' | P1 | O6 | 65.1° | 180.0° |
| H5'1 | C5' | O5' | P1 | 117.8° | 60.0° |
| H5'2 | C5' | O5' | P1 | 8.4° | 60.0° |
| O5' | P1 | O11 | O12 | 124.7° | 120.0° |
| O5' | P1 | O11 | O6 | 108.3° | 120.0° |
| O5' | P1 | O12 | O6 | 104.7° | 120.0° |
| O5' | P1 | O12 | HOC | 180.0° | 60.1° |
| O5' | P1 | O6 | P2 | 114.1° | 180.0° |
| O11 | P1 | O12 | O6 | 128.0° | 120.0° |
| O11 | P1 | O12 | HOC | 52.7° | 180.0° |
| O11 | P1 | O6 | P2 | 129.6° | 60.0° |
| O12 | P1 | O6 | P2 | 4.9° | 60.0° |
| O6 | P1 | O12 | HOC | 75.3° | 59.9° |
| P1 | O6 | P2 | O21 | 49.5° | 60.0° |
| P1 | O6 | P2 | O22 | 173.4° | 60.0° |
| P1 | O6 | P2 | O7 | 60.5° | 180.0° |
| O6 | P2 | O21 | O22 | 127.2° | 120.1° |
| O6 | P2 | O21 | O7 | 107.0° | 120.0° |
| O6 | P2 | O22 | O7 | 107.0° | 120.0° |
| O6 | P2 | O22 | HOM | 180.0° | 59.9° |
| O6 | P2 | O7 | CPB | 68.5° | 180.0° |
| O21 | P2 | O22 | O7 | 124.1° | 120.0° |
| O21 | P2 | O22 | HOM | 51.1° | 180.0° |
| O21 | P2 | O7 | CPB | 177.5° | 60.0° |
| O22 | P2 | O7 | CPB | 42.2° | 60.0° |
| O7 | P2 | O22 | HOM | 73.0° | 60.0° |
| P2 | O7 | CPB | CPA | 178.5° | 180.0° |
| P2 | O7 | CPB | HPB1 | 56.2° | 60.0° |
| P2 | O7 | CPB | HPB2 | 53.3° | 60.0° |
| O7 | CPB | CPA | HPB1 | 125.3° | 120.0° |
| O7 | CPB | CPA | HPB2 | 125.3° | 120.0° |
| O7 | CPB | HPB1 | HPB2 | 118.2° | 120.0° |
| O7 | CPB | CPA | CP7 | 79.0° | 180.0° |
| O7 | CPB | CPA | CP9 | 161.9° | 60.0° |
| O7 | CPB | CPA | CP8 | 42.4° | 60.0° |
| CPA | CPB | HPB1 | HPB2 | 118.1° | 120.0° |
| CPB | CPA | CP7 | CP9 | 119.8° | 120.0° |
| CPB | CPA | CP7 | CP8 | 122.7° | 120.0° |
| CPB | CPA | CP9 | CP8 | 121.6° | 120.1° |
| CPB | CPA | CP7 | OP3 | 160.6° | 55.1° |
| CPB | CPA | CP7 | CP6 | 41.1° | 175.0° |
| CPB | CPA | CP7 | H7 | 75.1° | 65.0° |
| CPB | CPA | CP9 | H91 | 180.0° | 67.3° |
| CPB | CPA | CP9 | H92 | 54.7° | 172.6° |
| CPB | CPA | CP9 | H93 | 54.8° | 52.6° |
| CPB | CPA | CP8 | H81 | 180.0° | 60.0° |
| CPB | CPA | CP8 | H82 | 54.7° | 60.0° |
| CPB | CPA | CP8 | H83 | 54.8° | 180.0° |
| HPB1 | CPB | CPA | CP7 | 155.7° | 60.0° |
| HPB1 | CPB | CPA | CP9 | 36.6° | 179.9° |
| HPB1 | CPB | CPA | CP8 | 82.9° | 60.0° |
| HPB2 | CPB | CPA | CP7 | 46.3° | 60.0° |
| HPB2 | CPB | CPA | CP9 | 72.8° | 60.0° |
| HPB2 | CPB | CPA | CP8 | 167.7° | 180.0° |
| CP7 | CPA | CP9 | CP8 | 118.5° | 120.0° |
| CPA | CP7 | OP3 | CP6 | 128.4° | 120.0° |
| CPA | CP7 | OP3 | H7 | 114.5° | 120.1° |
| CPA | CP7 | CP6 | H7 | 113.8° | 120.0° |
| CP7 | CPA | CP9 | H91 | 60.0° | 52.6° |
| CP7 | CPA | CP9 | H92 | 174.7° | 67.4° |
| CP7 | CPA | CP9 | H93 | 65.2° | 172.6° |
| CP7 | CPA | CP8 | H81 | 58.3° | 60.0° |
| CP7 | CPA | CP8 | H82 | 67.0° | 180.0° |
| CP7 | CPA | CP8 | H83 | 176.5° | 60.0° |
| CPA | CP7 | OP3 | HO3 | 180.0° | 60.0° |
| CPA | CP7 | CP6 | OP2 | 64.1° | 105.8° |
| CPA | CP7 | CP6 | NP2 | 117.0° | 74.2° |
| CP9 | CPA | CP7 | OP3 | 40.8° | 175.0° |
| CP9 | CPA | CP7 | CP6 | 78.7° | 65.0° |
| CP9 | CPA | CP7 | H7 | 165.1° | 55.0° |
| CPA | CP9 | H91 | H92 | 125.3° | 120.0° |
| CPA | CP9 | H91 | H93 | 125.3° | 120.0° |
| CPA | CP9 | H92 | H93 | 118.1° | 120.0° |
| CP9 | CPA | CP8 | H81 | 59.5° | 180.0° |
| CP9 | CPA | CP8 | H82 | 175.2° | 60.1° |
| CP9 | CPA | CP8 | H83 | 65.7° | 60.0° |
| CP8 | CPA | CP7 | OP3 | 76.7° | 64.9° |
| CP8 | CPA | CP7 | CP6 | 163.8° | 55.0° |
| CP8 | CPA | CP7 | H7 | 47.6° | 175.0° |
| CP8 | CPA | CP9 | H91 | 58.4° | 172.6° |
| CP8 | CPA | CP9 | H92 | 66.9° | 52.6° |
| CP8 | CPA | CP9 | H93 | 176.4° | 67.4° |
| CPA | CP8 | H81 | H82 | 125.3° | 120.0° |
| CPA | CP8 | H81 | H83 | 125.2° | 120.0° |
| CPA | CP8 | H82 | H83 | 117.3° | 120.0° |
| OP3 | CP7 | CP6 | H7 | 124.5° | 120.0° |
| OP3 | CP7 | CP6 | OP2 | 174.2° | 14.2° |
| OP3 | CP7 | CP6 | NP2 | 4.7° | 165.8° |
| CP6 | CP7 | OP3 | HO3 | 51.5° | 60.0° |
| CP7 | CP6 | OP2 | NP2 | 178.9° | 180.0° |
| CP7 | CP6 | NP2 | CP5 | 178.5° | 179.1° |
| CP7 | CP6 | NP2 | HN2 | 1.5° | 0.9° |
| H7 | CP7 | OP3 | HO3 | 65.6° | 179.9° |
| H7 | CP7 | CP6 | OP2 | 49.7° | 134.2° |
| H7 | CP7 | CP6 | NP2 | 129.2° | 45.8° |
| H91 | CP9 | H92 | H93 | 118.0° | 120.0° |
| H81 | CP8 | H82 | H83 | 117.4° | 120.0° |
| OP2 | CP6 | NP2 | CP5 | 0.4° | 0.9° |
| OP2 | CP6 | NP2 | HN2 | 179.5° | 179.1° |
| CP6 | NP2 | CP5 | HN2 | 180.0° | 180.0° |
| CP6 | NP2 | CP5 | CP4 | 158.6° | 180.0° |
| CP6 | NP2 | CP5 | H51 | 76.2° | 60.0° |
| CP6 | NP2 | CP5 | H52 | 33.3° | 60.0° |
| NP2 | CP5 | CP4 | H51 | 125.2° | 120.0° |
| NP2 | CP5 | CP4 | H52 | 125.3° | 120.0° |
| NP2 | CP5 | H51 | H52 | 116.9° | 120.1° |
| NP2 | CP5 | CP4 | CP3 | 176.4° | 179.9° |
| NP2 | CP5 | CP4 | H41 | 51.1° | 60.0° |
| NP2 | CP5 | CP4 | H42 | 58.4° | 60.0° |
| HN2 | NP2 | CP5 | CP4 | 21.4° | 0.0° |
| HN2 | NP2 | CP5 | H51 | 103.8° | 120.0° |
| HN2 | NP2 | CP5 | H52 | 146.7° | 120.0° |
| CP4 | CP5 | H51 | H52 | 116.9° | 120.0° |
| CP5 | CP4 | CP3 | H41 | 125.3° | 120.0° |
| CP5 | CP4 | CP3 | H42 | 125.2° | 120.1° |
| CP5 | CP4 | H41 | H42 | 115.9° | 120.1° |
| CP5 | CP4 | CP3 | OP1 | 15.9° | 0.1° |
| CP5 | CP4 | CP3 | NP1 | 164.3° | 180.0° |
| H51 | CP5 | CP4 | CP3 | 58.3° | 60.0° |
| H51 | CP5 | CP4 | H41 | 176.4° | 180.0° |
| H51 | CP5 | CP4 | H42 | 66.9° | 60.0° |
| H52 | CP5 | CP4 | CP3 | 51.1° | 59.9° |
| H52 | CP5 | CP4 | H41 | 74.1° | 60.0° |
| H52 | CP5 | CP4 | H42 | 176.4° | 180.0° |
| CP3 | CP4 | H41 | H42 | 115.9° | 120.0° |
| CP4 | CP3 | OP1 | NP1 | 179.7° | 179.9° |
| CP4 | CP3 | NP1 | CP2 | 179.6° | 179.9° |
| CP4 | CP3 | NP1 | HN1 | 0.4° | 0.0° |
| H41 | CP4 | CP3 | OP1 | 109.3° | 120.0° |
| H41 | CP4 | CP3 | NP1 | 70.4° | 60.0° |
| H42 | CP4 | CP3 | OP1 | 141.2° | 120.0° |
| H42 | CP4 | CP3 | NP1 | 39.1° | 60.0° |
| OP1 | CP3 | NP1 | CP2 | 0.1° | 0.0° |
| OP1 | CP3 | NP1 | HN1 | 179.8° | 179.9° |
| CP3 | NP1 | CP2 | HN1 | 179.9° | 179.9° |
| CP3 | NP1 | CP2 | CP1 | 170.1° | 180.0° |
| CP3 | NP1 | CP2 | H21 | 44.8° | 60.0° |
| CP3 | NP1 | CP2 | H22 | 64.6° | 60.1° |
| NP1 | CP2 | CP1 | H21 | 125.3° | 120.1° |
| NP1 | CP2 | CP1 | H22 | 125.3° | 120.0° |
| NP1 | CP2 | H21 | H22 | 119.8° | 120.1° |
| NP1 | CP2 | CP1 | S | 165.9° | 180.0° |
| NP1 | CP2 | CP1 | H11 | 68.8° | 59.9° |
| NP1 | CP2 | CP1 | H12 | 40.6° | 60.0° |
| HN1 | NP1 | CP2 | CP1 | 9.8° | 0.1° |
| HN1 | NP1 | CP2 | H21 | 135.1° | 119.9° |
| HN1 | NP1 | CP2 | H22 | 115.4° | 120.0° |
| CP1 | CP2 | H21 | H22 | 119.6° | 119.9° |
| CP2 | CP1 | S | H11 | 125.3° | 120.1° |
| CP2 | CP1 | S | H12 | 125.3° | 120.0° |
| CP2 | CP1 | H11 | H12 | 115.4° | 119.9° |
| CP2 | CP1 | S | CS1 | 166.8° | 180.0° |
| H21 | CP2 | CP1 | S | 40.6° | 59.9° |
| H21 | CP2 | CP1 | H11 | 165.9° | 180.0° |
| H21 | CP2 | CP1 | H12 | 84.6° | 60.0° |
| H22 | CP2 | CP1 | S | 68.8° | 60.0° |
| H22 | CP2 | CP1 | H11 | 56.5° | 60.1° |
| H22 | CP2 | CP1 | H12 | 165.9° | 180.0° |
| S | CP1 | H11 | H12 | 115.3° | 120.0° |
| CP1 | S | CS1 | OS1 | 4.9° | 0.0° |
| CP1 | S | CS1 | CS2 | 175.5° | 180.0° |
| H11 | CP1 | S | CS1 | 41.6° | 59.9° |
| H12 | CP1 | S | CS1 | 67.9° | 60.0° |
| O31 | P3 | O32 | O33 | 125.4° | 120.0° |
| O31 | P3 | O32 | HOW | 59.3° | 59.9° |
| O31 | P3 | O33 | HOX | 60.3° | 180.0° |
| O32 | P3 | O33 | HOX | 66.2° | 60.0° |
| O33 | P3 | O32 | HOW | 66.1° | 60.1° |
| S | CS1 | OS1 | CS2 | 179.6° | 180.0° |
| S | CS1 | CS2 | CS3 | 97.6° | 60.0° |
| S | CS1 | CS2 | CS4 | 141.4° | 180.0° |
| S | CS1 | CS2 | HS2 | 24.9° | 60.0° |
| OS1 | CS1 | CS2 | CS3 | 82.1° | 120.0° |
| OS1 | CS1 | CS2 | CS4 | 38.9° | 0.0° |
| OS1 | CS1 | CS2 | HS2 | 155.4° | 120.0° |
| CS1 | CS2 | CS3 | CS4 | 127.1° | 120.0° |
| CS1 | CS2 | CS3 | HS2 | 115.8° | 120.0° |
| CS1 | CS2 | CS4 | HS2 | 115.3° | 120.0° |
| CS1 | CS2 | CS3 | H31 | 180.0° | 60.0° |
| CS1 | CS2 | CS3 | H32 | 54.8° | 60.0° |
| CS1 | CS2 | CS3 | H33 | 54.7° | 180.0° |
| CS1 | CS2 | CS4 | OS4 | 104.1° | 180.0° |
| CS1 | CS2 | CS4 | OS5 | 77.0° | 0.0° |
| CS3 | CS2 | CS4 | HS2 | 122.7° | 120.0° |
| CS2 | CS3 | H31 | H32 | 125.3° | 120.0° |
| CS2 | CS3 | H31 | H33 | 125.3° | 120.0° |
| CS2 | CS3 | H32 | H33 | 118.5° | 120.0° |
| CS3 | CS2 | CS4 | OS4 | 133.9° | 60.0° |
| CS3 | CS2 | CS4 | OS5 | 45.0° | 120.0° |
| CS4 | CS2 | CS3 | H31 | 52.9° | 60.0° |
| CS4 | CS2 | CS3 | H32 | 72.4° | 180.0° |
| CS4 | CS2 | CS3 | H33 | 178.1° | 60.0° |
| CS2 | CS4 | OS4 | OS5 | 178.7° | 180.0° |
| CS2 | CS4 | OS4 | HO4 | 179.9° | 180.0° |
| HS2 | CS2 | CS3 | H31 | 64.2° | 180.0° |
| HS2 | CS2 | CS3 | H32 | 170.6° | 60.0° |
| HS2 | CS2 | CS3 | H33 | 61.1° | 60.0° |
| HS2 | CS2 | CS4 | OS4 | 11.2° | 60.0° |
| HS2 | CS2 | CS4 | OS5 | 167.7° | 120.0° |
| H31 | CS3 | H32 | H33 | 118.3° | 120.0° |
| OS5 | CS4 | OS4 | HO4 | 1.2° | 0.0° |
