FRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | doub | 1.32Å | 1.37Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.36Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.30Å | Aromatic |
| C2A | H4 | sing | 1.08Å | 1.10Å | |
| N3A | C4A | doub | 1.33Å | 1.35Å | Aromatic |
| C4A | C5A | sing | 1.40Å | 1.38Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.38Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.41Å | Aromatic |
| C5A | N7A | sing | 1.36Å | 1.38Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| N6A | HN61 | sing | 0.97Å | 1.02Å | |
| N6A | HN62 | sing | 0.97Å | 1.02Å | |
| N7A | C8A | doub | 1.30Å | 1.34Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.36Å | Aromatic |
| C8A | H3 | sing | 1.08Å | 1.10Å | |
| N9A | C1B | sing | 1.46Å | 1.46Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| C1B | O4B | sing | 1.44Å | 1.38Å | |
| C1B | H1' | sing | 1.09Å | 1.11Å | |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.55Å | 1.53Å | |
| C2B | H2' | sing | 1.09Å | 1.12Å | |
| O2B | H2 | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | C4B | sing | 1.54Å | 1.52Å | |
| C3B | H3' | sing | 1.09Å | 1.11Å | |
| O3B | P3B | sing | 1.61Å | 1.60Å | |
| P3B | O7A | sing | 1.61Å | 1.48Å | |
| P3B | O8A | sing | 1.61Å | 1.48Å | |
| P3B | O9A | doub | 1.48Å | 1.60Å | |
| O7A | HO7 | sing | 0.97Å | 0.95Å | |
| O8A | HO8 | sing | 0.97Å | 0.95Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C5B | sing | 1.53Å | 1.51Å | |
| C4B | H4' | sing | 1.09Å | 1.12Å | |
| C5B | O5B | sing | 1.43Å | 1.44Å | |
| C5B | H5'1 | sing | 1.09Å | 1.12Å | |
| C5B | H5'2 | sing | 1.09Å | 1.11Å | |
| O5B | P1A | sing | 1.61Å | 1.60Å | |
| P1A | O1A | doub | 1.61Å | 1.48Å | |
| P1A | O2A | sing | 1.48Å | 1.48Å | |
| P1A | O3A | sing | 1.61Å | 1.60Å | |
| O2A | HO2 | sing | 6.43Å | 0.95Å | |
| O3A | P2A | sing | 1.61Å | 1.60Å | |
| P2A | O4A | doub | 1.61Å | 1.48Å | |
| P2A | O5A | sing | 1.48Å | 1.48Å | |
| P2A | O6A | sing | 1.61Å | 1.48Å | |
| O5A | HO5 | sing | 4.91Å | 0.95Å | |
| O6A | CCP | sing | 1.43Å | 1.43Å | |
| CBP | CCP | sing | 1.53Å | 1.54Å | |
| CBP | CDP | sing | 1.53Å | 1.54Å | |
| CBP | CEP | sing | 1.53Å | 1.54Å | |
| CBP | CAP | sing | 1.53Å | 1.55Å | |
| CCP | H121 | sing | 1.09Å | 1.12Å | |
| CCP | H122 | sing | 1.09Å | 1.11Å | |
| CDP | H11 | sing | 1.09Å | 1.12Å | |
| CDP | H12 | sing | 1.09Å | 1.12Å | |
| CDP | H13 | sing | 1.09Å | 1.12Å | |
| CEP | H141 | sing | 1.09Å | 1.11Å | |
| CEP | H142 | sing | 1.09Å | 1.12Å | |
| CEP | H143 | sing | 1.09Å | 1.11Å | |
| CAP | OAP | sing | 1.43Å | 1.48Å | |
| CAP | C9P | sing | 1.51Å | 1.59Å | |
| CAP | H10 | sing | 1.09Å | 1.11Å | |
| OAP | H1 | sing | 0.97Å | 0.95Å | |
| C9P | O9P | doub | 1.21Å | 1.27Å | |
| C9P | N8P | sing | 1.35Å | 1.36Å | |
| N8P | C7P | sing | 1.46Å | 1.55Å | |
| N8P | HN8 | sing | 0.97Å | 1.02Å | |
| C7P | C6P | sing | 1.53Å | 1.52Å | |
| C7P | H71 | sing | 1.09Å | 1.11Å | |
| C7P | H72 | sing | 1.09Å | 1.11Å | |
| C6P | C5P | sing | 1.51Å | 1.51Å | |
| C6P | H61 | sing | 1.09Å | 1.11Å | |
| C6P | H62 | sing | 1.09Å | 1.11Å | |
| C5P | O5P | doub | 1.21Å | 1.24Å | |
| C5P | N4P | sing | 1.35Å | 1.36Å | |
| N4P | C3P | sing | 1.46Å | 1.54Å | |
| N4P | HN4 | sing | 0.97Å | 1.02Å | |
| C3P | C2P | sing | 1.53Å | 1.56Å | |
| C3P | H31 | sing | 1.09Å | 1.11Å | |
| C3P | H32 | sing | 1.09Å | 1.12Å | |
| C2P | S1P | sing | 1.81Å | 1.79Å | |
| C2P | H21 | sing | 1.09Å | 1.12Å | |
| C2P | H22 | sing | 1.09Å | 1.11Å | |
| S1P | C9 | sing | 1.76Å | 1.78Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | O12 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | O11 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H6 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O13 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.35Å | 1.35Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.46Å | 1.47Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O12 | H112 | sing | 0.97Å | 0.95Å | |
| O13 | C13 | sing | 1.43Å | 1.37Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 118.9° | 121.2° |
| N1A | C2A | N3A | 129.1° | 122.5° |
| N1A | C2A | H4 | 118.6° | 118.8° |
| N1A | C6A | C5A | 116.3° | 118.4° |
| N1A | C6A | N6A | 118.9° | 120.8° |
| N3A | C2A | H4 | 112.4° | 118.8° |
| C2A | N3A | C4A | 111.0° | 120.6° |
| N3A | C4A | C5A | 127.0° | 119.1° |
| N3A | C4A | N9A | 127.0° | 134.9° |
| C5A | C4A | N9A | 106.0° | 106.0° |
| C4A | C5A | C6A | 117.8° | 118.2° |
| C4A | C5A | N7A | 110.9° | 107.1° |
| C4A | N9A | C8A | 106.0° | 107.4° |
| C4A | N9A | C1B | 125.0° | 126.3° |
| C6A | C5A | N7A | 131.3° | 134.7° |
| C5A | C6A | N6A | 124.7° | 120.8° |
| C5A | N7A | C8A | 103.6° | 109.4° |
| C6A | N6A | HN61 | 108.8° | 120.0° |
| C6A | N6A | HN62 | 119.0° | 119.9° |
| HN61 | N6A | HN62 | 108.8° | 120.0° |
| N7A | C8A | N9A | 113.4° | 110.0° |
| N7A | C8A | H3 | 122.5° | 125.0° |
| N9A | C8A | H3 | 124.1° | 125.0° |
| C8A | N9A | C1B | 129.0° | 126.3° |
| N9A | C1B | C2B | 113.0° | 110.8° |
| N9A | C1B | O4B | 108.4° | 110.6° |
| N9A | C1B | H1' | 107.0° | 110.5° |
| C2B | C1B | O4B | 107.1° | 103.5° |
| C2B | C1B | H1' | 108.4° | 110.6° |
| C1B | C2B | O2B | 111.0° | 110.9° |
| C1B | C2B | C3B | 103.0° | 102.1° |
| C1B | C2B | H2' | 113.6° | 110.8° |
| O4B | C1B | H1' | 113.0° | 110.6° |
| C1B | O4B | C4B | 110.5° | 107.0° |
| O2B | C2B | C3B | 112.0° | 110.9° |
| O2B | C2B | H2' | 104.9° | 110.8° |
| C2B | O2B | H2 | 111.0° | 106.8° |
| C3B | C2B | H2' | 112.6° | 111.0° |
| C2B | C3B | O3B | 116.1° | 110.5° |
| C2B | C3B | C4B | 100.0° | 104.1° |
| C2B | C3B | H3' | 112.3° | 110.5° |
| O3B | C3B | C4B | 111.5° | 110.8° |
| O3B | C3B | H3' | 101.0° | 110.5° |
| C3B | O3B | P3B | 119.0° | 106.8° |
| C4B | C3B | H3' | 116.8° | 110.4° |
| C3B | C4B | O4B | 104.9° | 107.4° |
| C3B | C4B | C5B | 116.0° | 109.9° |
| C3B | C4B | H4' | 108.0° | 109.9° |
| O3B | P3B | O7A | 109.9° | 109.5° |
| O3B | P3B | O8A | 110.0° | 109.5° |
| O3B | P3B | O9A | 101.1° | 109.5° |
| O7A | P3B | O8A | 108.9° | 109.5° |
| O7A | P3B | O9A | 113.4° | 109.4° |
| P3B | O7A | HO7 | 109.9° | 106.8° |
| O8A | P3B | O9A | 113.4° | 109.5° |
| P3B | O8A | HO8 | 110.0° | 106.8° |
| O4B | C4B | C5B | 108.7° | 109.9° |
| O4B | C4B | H4' | 115.4° | 109.9° |
| C5B | C4B | H4' | 104.2° | 109.9° |
| C4B | C5B | O5B | 110.0° | 109.5° |
| C4B | C5B | H5'1 | 112.0° | 109.5° |
| C4B | C5B | H5'2 | 112.0° | 109.5° |
| O5B | C5B | H5'1 | 112.0° | 109.5° |
| O5B | C5B | H5'2 | 112.0° | 109.4° |
| C5B | O5B | P1A | 119.0° | 106.8° |
| H5'1 | C5B | H5'2 | 98.4° | 109.5° |
| O5B | P1A | O1A | 109.9° | 109.5° |
| O5B | P1A | O2A | 110.1° | 109.5° |
| O5B | P1A | O3A | 101.1° | 109.4° |
| O1A | P1A | O2A | 108.9° | 109.5° |
| O1A | P1A | O3A | 113.3° | 109.5° |
| O2A | P1A | O3A | 113.4° | 109.5° |
| P1A | O2A | HO2 | 110.0° | 66.9° |
| P1A | O3A | P2A | 135.0° | 106.8° |
| O3A | P2A | O4A | 110.1° | 109.5° |
| O3A | P2A | O5A | 110.0° | 109.5° |
| O3A | P2A | O6A | 109.8° | 109.4° |
| O4A | P2A | O5A | 109.0° | 109.5° |
| O4A | P2A | O6A | 109.0° | 109.5° |
| O5A | P2A | O6A | 108.9° | 109.5° |
| P2A | O5A | HO5 | 110.0° | 44.1° |
| P2A | O6A | CCP | 109.9° | 106.8° |
| O6A | CCP | CBP | 109.0° | 109.5° |
| O6A | CCP | H121 | 112.4° | 109.5° |
| O6A | CCP | H122 | 112.4° | 109.4° |
| CCP | CBP | CDP | 110.0° | 109.4° |
| CCP | CBP | CEP | 110.0° | 109.5° |
| CCP | CBP | CAP | 111.8° | 109.5° |
| CBP | CCP | H121 | 112.4° | 109.5° |
| CBP | CCP | H122 | 112.4° | 109.4° |
| CDP | CBP | CEP | 109.0° | 109.5° |
| CDP | CBP | CAP | 106.4° | 109.5° |
| CBP | CDP | H11 | 112.0° | 109.5° |
| CBP | CDP | H12 | 110.0° | 109.5° |
| CBP | CDP | H13 | 112.0° | 109.5° |
| CEP | CBP | CAP | 109.6° | 109.5° |
| CBP | CEP | H141 | 112.0° | 109.5° |
| CBP | CEP | H142 | 110.0° | 109.4° |
| CBP | CEP | H143 | 112.0° | 109.4° |
| CBP | CAP | OAP | 124.3° | 109.5° |
| CBP | CAP | C9P | 127.7° | 109.5° |
| CBP | CAP | H10 | 12.4° | 109.5° |
| H121 | CCP | H122 | 98.0° | 109.5° |
| H11 | CDP | H12 | 112.0° | 109.5° |
| H11 | CDP | H13 | 98.4° | 109.5° |
| H12 | CDP | H13 | 112.0° | 109.4° |
| H141 | CEP | H142 | 112.0° | 109.5° |
| H141 | CEP | H143 | 98.4° | 109.5° |
| H142 | CEP | H143 | 112.1° | 109.5° |
| OAP | CAP | C9P | 108.1° | 109.5° |
| OAP | CAP | H10 | 135.3° | 109.5° |
| CAP | OAP | H1 | 124.3° | 106.8° |
| C9P | CAP | H10 | 116.3° | 109.4° |
| CAP | C9P | O9P | 119.7° | 120.0° |
| CAP | C9P | N8P | 113.3° | 120.0° |
| O9P | C9P | N8P | 127.0° | 120.0° |
| C9P | N8P | C7P | 113.2° | 120.0° |
| C9P | N8P | HN8 | 117.6° | 120.0° |
| C7P | N8P | HN8 | 129.2° | 120.1° |
| N8P | C7P | C6P | 110.3° | 109.5° |
| N8P | C7P | H71 | 111.9° | 109.5° |
| N8P | C7P | H72 | 111.9° | 109.5° |
| C6P | C7P | H71 | 111.9° | 109.4° |
| C6P | C7P | H72 | 111.9° | 109.5° |
| C7P | C6P | C5P | 112.6° | 109.5° |
| C7P | C6P | H61 | 111.1° | 109.5° |
| C7P | C6P | H62 | 111.0° | 109.5° |
| H71 | C7P | H72 | 98.5° | 109.5° |
| C5P | C6P | H61 | 111.0° | 109.5° |
| C5P | C6P | H62 | 111.1° | 109.5° |
| C6P | C5P | O5P | 111.0° | 120.0° |
| C6P | C5P | N4P | 126.7° | 120.0° |
| H61 | C6P | H62 | 99.3° | 109.4° |
| O5P | C5P | N4P | 122.3° | 120.0° |
| C5P | N4P | C3P | 112.8° | 120.0° |
| C5P | N4P | HN4 | 118.1° | 120.0° |
| C3P | N4P | HN4 | 129.1° | 120.0° |
| N4P | C3P | C2P | 114.6° | 109.5° |
| N4P | C3P | H31 | 110.4° | 109.5° |
| N4P | C3P | H32 | 110.3° | 109.5° |
| C2P | C3P | H31 | 110.3° | 109.5° |
| C2P | C3P | H32 | 110.4° | 109.4° |
| C3P | C2P | S1P | 107.9° | 109.5° |
| C3P | C2P | H21 | 112.8° | 109.5° |
| C3P | C2P | H22 | 112.8° | 109.5° |
| H31 | C3P | H32 | 99.9° | 109.5° |
| S1P | C2P | H21 | 112.8° | 109.5° |
| S1P | C2P | H22 | 112.8° | 109.5° |
| C2P | S1P | C9 | 106.5° | 100.0° |
| H21 | C2P | H22 | 97.7° | 109.5° |
| S1P | C9 | C8 | 123.4° | 120.0° |
| S1P | C9 | O10 | 119.9° | 120.0° |
| C2 | C1 | C6 | 119.6° | 120.2° |
| C2 | C1 | O12 | 120.5° | 119.9° |
| C1 | C2 | C3 | 121.8° | 120.1° |
| C1 | C2 | O11 | 115.4° | 119.9° |
| C6 | C1 | O12 | 119.9° | 119.9° |
| C1 | C6 | C5 | 117.1° | 120.1° |
| C1 | C6 | O13 | 118.1° | 120.0° |
| C1 | O12 | H112 | 120.5° | 106.8° |
| C3 | C2 | O11 | 122.8° | 120.0° |
| C2 | C3 | C4 | 120.2° | 119.9° |
| C2 | C3 | H6 | 119.9° | 120.0° |
| C2 | O11 | H111 | 115.4° | 106.8° |
| C4 | C3 | H6 | 119.9° | 120.1° |
| C3 | C4 | C5 | 117.3° | 119.9° |
| C3 | C4 | C7 | 123.2° | 120.0° |
| C5 | C4 | C7 | 119.5° | 120.1° |
| C4 | C5 | C6 | 123.9° | 119.9° |
| C4 | C5 | H5 | 118.6° | 120.0° |
| C4 | C7 | C8 | 123.8° | 120.1° |
| C4 | C7 | H7 | 124.0° | 120.0° |
| C6 | C5 | H5 | 117.4° | 120.1° |
| C5 | C6 | O13 | 124.7° | 120.0° |
| C6 | O13 | C13 | 124.8° | 106.8° |
| C8 | C7 | H7 | 112.1° | 120.0° |
| C7 | C8 | C9 | 123.4° | 120.0° |
| C7 | C8 | H8 | 113.7° | 120.0° |
| C9 | C8 | H8 | 122.9° | 120.0° |
| C8 | C9 | O10 | 116.7° | 120.0° |
| O13 | C13 | H131 | 106.8° | 109.4° |
| O13 | C13 | H132 | 124.8° | 109.5° |
| O13 | C13 | H133 | 106.8° | 109.5° |
| H131 | C13 | H132 | 106.8° | 109.5° |
| H131 | C13 | H133 | 102.9° | 109.5° |
| H132 | C13 | H133 | 106.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H4 | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.2° | 0.2° |
| C2A | N1A | C6A | C5A | 0.1° | 0.1° |
| C2A | N1A | C6A | N6A | 179.9° | 180.0° |
| C6A | N1A | C2A | N3A | 0.2° | 0.1° |
| C6A | N1A | C2A | H4 | 179.8° | 180.0° |
| N1A | C6A | C5A | C4A | 0.1° | 0.2° |
| N1A | C6A | C5A | N6A | 180.0° | 180.0° |
| N1A | C6A | C5A | N7A | 180.0° | 180.0° |
| N1A | C6A | N6A | HN61 | 54.7° | 180.0° |
| N1A | C6A | N6A | HN62 | 180.0° | 0.0° |
| C2A | N3A | C4A | C5A | 0.2° | 0.5° |
| C2A | N3A | C4A | N9A | 179.9° | 179.6° |
| H4 | C2A | N3A | C4A | 179.8° | 179.8° |
| N3A | C4A | C5A | N9A | 179.8° | 179.4° |
| N3A | C4A | C5A | C6A | 0.1° | 0.5° |
| N3A | C4A | C5A | N7A | 179.9° | 179.7° |
| N3A | C4A | N9A | C8A | 179.9° | 179.5° |
| N3A | C4A | N9A | C1B | 0.3° | 0.7° |
| C4A | C5A | C6A | N7A | 180.0° | 179.7° |
| C4A | C5A | C6A | N6A | 180.0° | 179.7° |
| C4A | C5A | N7A | C8A | 0.0° | 0.2° |
| C5A | C4A | N9A | C8A | 0.1° | 0.3° |
| C5A | C4A | N9A | C1B | 179.9° | 179.9° |
| N9A | C4A | C5A | C6A | 179.9° | 179.8° |
| N9A | C4A | C5A | N7A | 0.1° | 0.4° |
| C4A | N9A | C8A | N7A | 0.1° | 0.2° |
| C4A | N9A | C8A | C1B | 179.8° | 179.8° |
| C4A | N9A | C8A | H3 | 179.9° | 179.7° |
| C4A | N9A | C1B | C2B | 158.4° | 89.1° |
| C4A | N9A | C1B | O4B | 39.8° | 156.7° |
| C4A | N9A | C1B | H1' | 82.4° | 33.9° |
| C5A | C6A | N6A | HN61 | 125.3° | 0.0° |
| C5A | C6A | N6A | HN62 | 0.0° | 180.0° |
| C6A | C5A | N7A | C8A | 180.0° | 180.0° |
| N7A | C5A | C6A | N6A | 0.0° | 0.0° |
| C5A | N7A | C8A | N9A | 0.0° | 0.0° |
| C5A | N7A | C8A | H3 | 179.9° | 180.0° |
| C6A | N6A | HN61 | HN62 | 131.0° | 180.0° |
| N7A | C8A | N9A | H3 | 180.0° | 179.9° |
| N7A | C8A | N9A | C1B | 179.9° | 180.0° |
| C8A | N9A | C1B | C2B | 21.9° | 90.6° |
| C8A | N9A | C1B | O4B | 140.4° | 23.6° |
| C8A | N9A | C1B | H1' | 97.4° | 146.4° |
| H3 | C8A | N9A | C1B | 0.1° | 0.0° |
| N9A | C1B | C2B | O4B | 119.3° | 118.6° |
| N9A | C1B | C2B | H1' | 118.5° | 122.9° |
| N9A | C1B | O4B | H1' | 118.5° | 122.8° |
| N9A | C1B | C2B | O2B | 146.0° | 86.1° |
| N9A | C1B | C2B | C3B | 93.9° | 155.7° |
| N9A | C1B | C2B | H2' | 28.2° | 37.4° |
| N9A | C1B | O4B | C4B | 119.3° | 158.7° |
| C2B | C1B | O4B | H1' | 119.3° | 118.5° |
| C1B | C2B | O2B | C3B | 114.5° | 112.7° |
| C1B | C2B | O2B | H2' | 123.0° | 123.6° |
| C1B | C2B | C3B | H2' | 122.7° | 118.2° |
| C1B | C2B | O2B | H2 | 180.0° | 61.4° |
| C1B | C2B | C3B | O3B | 156.0° | 98.0° |
| C1B | C2B | C3B | C4B | 36.1° | 21.0° |
| C1B | C2B | C3B | H3' | 88.5° | 139.5° |
| C2B | C1B | O4B | C4B | 3.0° | 40.0° |
| O4B | C1B | C2B | O2B | 94.7° | 155.2° |
| O4B | C1B | C2B | C3B | 25.4° | 37.1° |
| O4B | C1B | C2B | H2' | 147.5° | 81.2° |
| C1B | O4B | C4B | C3B | 21.0° | 26.4° |
| C1B | O4B | C4B | C5B | 145.7° | 145.9° |
| C1B | O4B | C4B | H4' | 97.7° | 93.1° |
| H1' | C1B | C2B | O2B | 27.6° | 36.8° |
| H1' | C1B | C2B | C3B | 147.6° | 81.4° |
| H1' | C1B | C2B | H2' | 90.3° | 160.3° |
| H1' | C1B | O4B | C4B | 122.2° | 78.5° |
| O2B | C2B | C3B | H2' | 117.9° | 123.6° |
| O2B | C2B | C3B | O3B | 36.7° | 20.3° |
| O2B | C2B | C3B | C4B | 83.3° | 139.2° |
| O2B | C2B | C3B | H3' | 152.1° | 102.3° |
| C3B | C2B | O2B | H2 | 65.5° | 174.1° |
| C2B | C3B | O3B | C4B | 113.6° | 114.8° |
| C2B | C3B | O3B | H3' | 121.7° | 122.6° |
| C2B | C3B | C4B | H3' | 121.4° | 118.6° |
| C2B | C3B | O3B | P3B | 84.4° | 121.4° |
| C2B | C3B | C4B | O4B | 35.0° | 1.9° |
| C2B | C3B | C4B | C5B | 155.0° | 121.4° |
| C2B | C3B | C4B | H4' | 88.6° | 117.6° |
| H2' | C2B | O2B | H2 | 57.0° | 62.1° |
| H2' | C2B | C3B | O3B | 81.2° | 143.9° |
| H2' | C2B | C3B | C4B | 158.8° | 97.2° |
| H2' | C2B | C3B | H3' | 34.2° | 21.3° |
| O3B | C3B | C4B | H3' | 115.4° | 122.7° |
| C3B | O3B | P3B | O7A | 73.5° | 175.0° |
| C3B | O3B | P3B | O8A | 46.4° | 65.0° |
| C3B | O3B | P3B | O9A | 166.5° | 55.0° |
| O3B | C3B | C4B | O4B | 158.3° | 120.6° |
| O3B | C3B | C4B | C5B | 81.7° | 119.9° |
| O3B | C3B | C4B | H4' | 34.7° | 1.1° |
| C4B | C3B | O3B | P3B | 162.0° | 123.8° |
| C3B | C4B | O4B | C5B | 124.8° | 119.5° |
| C3B | C4B | O4B | H4' | 118.7° | 119.5° |
| C3B | C4B | C5B | H4' | 118.5° | 121.0° |
| C3B | C4B | C5B | O5B | 138.2° | 175.3° |
| C3B | C4B | C5B | H5'1 | 12.9° | 64.7° |
| C3B | C4B | C5B | H5'2 | 96.6° | 55.3° |
| H3' | C3B | O3B | P3B | 37.2° | 1.1° |
| H3' | C3B | C4B | O4B | 86.4° | 116.7° |
| H3' | C3B | C4B | C5B | 33.6° | 2.8° |
| H3' | C3B | C4B | H4' | 150.0° | 123.8° |
| O3B | P3B | O7A | O8A | 120.5° | 120.0° |
| O3B | P3B | O7A | O9A | 112.2° | 120.0° |
| O3B | P3B | O8A | O9A | 112.3° | 120.0° |
| O3B | P3B | O7A | HO7 | 180.0° | 180.0° |
| O3B | P3B | O8A | HO8 | 180.0° | 60.0° |
| O7A | P3B | O8A | O9A | 127.2° | 120.0° |
| O7A | P3B | O8A | HO8 | 59.5° | 59.9° |
| O8A | P3B | O7A | HO7 | 59.5° | 60.0° |
| O9A | P3B | O7A | HO7 | 67.8° | 60.1° |
| O9A | P3B | O8A | HO8 | 67.7° | 179.9° |
| O4B | C4B | C5B | H4' | 123.6° | 121.1° |
| O4B | C4B | C5B | O5B | 20.2° | 66.7° |
| O4B | C4B | C5B | H5'1 | 105.0° | 53.3° |
| O4B | C4B | C5B | H5'2 | 145.5° | 173.3° |
| C4B | C5B | O5B | H5'1 | 125.3° | 120.0° |
| C4B | C5B | O5B | H5'2 | 125.3° | 120.0° |
| C4B | C5B | H5'1 | H5'2 | 117.9° | 120.0° |
| C4B | C5B | O5B | P1A | 179.1° | 180.0° |
| H4' | C4B | C5B | O5B | 103.3° | 54.3° |
| H4' | C4B | C5B | H5'1 | 131.4° | 174.3° |
| H4' | C4B | C5B | H5'2 | 21.9° | 65.7° |
| O5B | C5B | H5'1 | H5'2 | 117.9° | 119.9° |
| C5B | O5B | P1A | O1A | 108.3° | 65.0° |
| C5B | O5B | P1A | O2A | 11.6° | 55.0° |
| C5B | O5B | P1A | O3A | 131.8° | 175.0° |
| H5'1 | C5B | O5B | P1A | 53.8° | 60.0° |
| H5'2 | C5B | O5B | P1A | 55.6° | 60.0° |
| O5B | P1A | O1A | O2A | 120.6° | 120.0° |
| O5B | P1A | O1A | O3A | 112.2° | 120.0° |
| O5B | P1A | O2A | O3A | 112.4° | 120.0° |
| O5B | P1A | O2A | HO2 | 180.0° | 119.6° |
| O5B | P1A | O3A | P2A | 155.7° | 160.0° |
| O1A | P1A | O2A | O3A | 127.1° | 120.1° |
| O1A | P1A | O2A | HO2 | 59.5° | 120.4° |
| O1A | P1A | O3A | P2A | 86.8° | 80.0° |
| O2A | P1A | O3A | P2A | 38.0° | 40.1° |
| O3A | P1A | O2A | HO2 | 67.6° | 0.4° |
| P1A | O3A | P2A | O4A | 35.9° | 75.0° |
| P1A | O3A | P2A | O5A | 156.0° | 45.0° |
| P1A | O3A | P2A | O6A | 84.2° | 165.0° |
| O3A | P2A | O4A | O5A | 120.7° | 120.0° |
| O3A | P2A | O4A | O6A | 120.5° | 120.0° |
| O3A | P2A | O5A | O6A | 120.4° | 120.0° |
| O3A | P2A | O5A | HO5 | 180.0° | 108.5° |
| O3A | P2A | O6A | CCP | 101.5° | 175.0° |
| O4A | P2A | O5A | O6A | 118.8° | 120.0° |
| O4A | P2A | O5A | HO5 | 59.2° | 131.5° |
| O4A | P2A | O6A | CCP | 137.8° | 65.0° |
| O5A | P2A | O6A | CCP | 19.0° | 55.0° |
| O6A | P2A | O5A | HO5 | 59.6° | 11.5° |
| P2A | O6A | CCP | CBP | 168.1° | 180.0° |
| P2A | O6A | CCP | H121 | 42.8° | 59.9° |
| P2A | O6A | CCP | H122 | 66.6° | 60.0° |
| O6A | CCP | CBP | H121 | 125.3° | 120.1° |
| O6A | CCP | CBP | H122 | 125.3° | 119.9° |
| O6A | CCP | CBP | CDP | 13.1° | 60.1° |
| O6A | CCP | CBP | CEP | 106.9° | 59.9° |
| O6A | CCP | CBP | CAP | 131.1° | 180.0° |
| O6A | CCP | H121 | H122 | 118.3° | 120.0° |
| CCP | CBP | CDP | CEP | 120.6° | 120.0° |
| CCP | CBP | CDP | CAP | 121.2° | 120.0° |
| CCP | CBP | CEP | CAP | 123.3° | 120.0° |
| CBP | CCP | H121 | H122 | 118.3° | 120.0° |
| CCP | CBP | CDP | H11 | 54.7° | 60.0° |
| CCP | CBP | CDP | H12 | 180.0° | 60.0° |
| CCP | CBP | CDP | H13 | 54.8° | 180.0° |
| CCP | CBP | CEP | H141 | 54.7° | 172.6° |
| CCP | CBP | CEP | H142 | 180.0° | 52.5° |
| CCP | CBP | CEP | H143 | 54.7° | 67.5° |
| CCP | CBP | CAP | OAP | 34.8° | 54.0° |
| CCP | CBP | CAP | C9P | 144.0° | 174.1° |
| CCP | CBP | CAP | H10 | 170.4° | 66.0° |
| CDP | CBP | CEP | CAP | 116.1° | 120.0° |
| CDP | CBP | CCP | H121 | 112.1° | 60.0° |
| CDP | CBP | CCP | H122 | 138.4° | 180.0° |
| CBP | CDP | H11 | H12 | 124.1° | 120.0° |
| CBP | CDP | H11 | H13 | 118.0° | 120.0° |
| CBP | CDP | H12 | H13 | 125.3° | 120.0° |
| CDP | CBP | CEP | H141 | 175.4° | 52.6° |
| CDP | CBP | CEP | H142 | 59.4° | 67.4° |
| CDP | CBP | CEP | H143 | 65.9° | 172.5° |
| CDP | CBP | CAP | OAP | 154.9° | 65.9° |
| CDP | CBP | CAP | C9P | 23.9° | 54.1° |
| CDP | CBP | CAP | H10 | 50.4° | 174.1° |
| CEP | CBP | CCP | H121 | 127.8° | 180.0° |
| CEP | CBP | CCP | H122 | 18.3° | 60.0° |
| CEP | CBP | CDP | H11 | 65.9° | 180.0° |
| CEP | CBP | CDP | H12 | 59.4° | 60.0° |
| CEP | CBP | CDP | H13 | 175.4° | 60.0° |
| CBP | CEP | H141 | H142 | 124.1° | 120.0° |
| CBP | CEP | H141 | H143 | 117.9° | 119.9° |
| CBP | CEP | H142 | H143 | 125.3° | 120.0° |
| CEP | CBP | CAP | OAP | 87.4° | 174.1° |
| CEP | CBP | CAP | C9P | 93.8° | 65.9° |
| CEP | CBP | CAP | H10 | 67.4° | 54.1° |
| CAP | CBP | CCP | H121 | 5.8° | 59.9° |
| CAP | CBP | CCP | H122 | 103.7° | 60.0° |
| CAP | CBP | CDP | H11 | 176.0° | 60.0° |
| CAP | CBP | CDP | H12 | 58.7° | 180.0° |
| CAP | CBP | CDP | H13 | 66.5° | 60.0° |
| CAP | CBP | CEP | H141 | 68.6° | 67.4° |
| CAP | CBP | CEP | H142 | 56.7° | 172.6° |
| CAP | CBP | CEP | H143 | 178.0° | 52.5° |
| CBP | CAP | OAP | C9P | 179.0° | 120.0° |
| CBP | CAP | OAP | H10 | 7.5° | 120.0° |
| CBP | CAP | C9P | H10 | 6.1° | 120.0° |
| CBP | CAP | OAP | H1 | 180.0° | 60.0° |
| CBP | CAP | C9P | O9P | 105.2° | 106.3° |
| CBP | CAP | C9P | N8P | 76.0° | 73.7° |
| H11 | CDP | H12 | H13 | 109.5° | 120.0° |
| H141 | CEP | H142 | H143 | 109.5° | 120.0° |
| OAP | CAP | C9P | H10 | 174.9° | 120.0° |
| OAP | CAP | C9P | O9P | 73.8° | 13.7° |
| OAP | CAP | C9P | N8P | 105.0° | 166.3° |
| C9P | CAP | OAP | H1 | 1.0° | 60.0° |
| CAP | C9P | O9P | N8P | 178.6° | 180.0° |
| CAP | C9P | N8P | C7P | 179.6° | 178.1° |
| CAP | C9P | N8P | HN8 | 0.3° | 2.0° |
| H10 | CAP | OAP | H1 | 172.5° | 179.9° |
| H10 | CAP | C9P | O9P | 111.4° | 133.7° |
| H10 | CAP | C9P | N8P | 69.8° | 46.3° |
| O9P | C9P | N8P | C7P | 0.9° | 1.9° |
| O9P | C9P | N8P | HN8 | 179.0° | 178.1° |
| C9P | N8P | C7P | HN8 | 180.0° | 179.9° |
| C9P | N8P | C7P | C6P | 5.8° | 180.0° |
| C9P | N8P | C7P | H71 | 119.4° | 60.1° |
| C9P | N8P | C7P | H72 | 131.1° | 60.0° |
| N8P | C7P | C6P | H71 | 125.3° | 120.0° |
| N8P | C7P | C6P | H72 | 125.3° | 120.1° |
| N8P | C7P | H71 | H72 | 117.8° | 120.1° |
| N8P | C7P | C6P | C5P | 155.9° | 180.0° |
| N8P | C7P | C6P | H61 | 78.8° | 60.0° |
| N8P | C7P | C6P | H62 | 30.7° | 59.9° |
| HN8 | N8P | C7P | C6P | 174.2° | 0.0° |
| HN8 | N8P | C7P | H71 | 60.5° | 120.0° |
| HN8 | N8P | C7P | H72 | 48.9° | 120.0° |
| C6P | C7P | H71 | H72 | 117.8° | 120.0° |
| C7P | C6P | C5P | H61 | 125.3° | 120.0° |
| C7P | C6P | C5P | H62 | 125.2° | 120.0° |
| C7P | C6P | H61 | H62 | 116.9° | 120.0° |
| C7P | C6P | C5P | O5P | 149.3° | 0.1° |
| C7P | C6P | C5P | N4P | 31.3° | 180.0° |
| H71 | C7P | C6P | C5P | 30.7° | 60.0° |
| H71 | C7P | C6P | H61 | 155.9° | 179.9° |
| H71 | C7P | C6P | H62 | 94.6° | 60.0° |
| H72 | C7P | C6P | C5P | 78.8° | 59.9° |
| H72 | C7P | C6P | H61 | 46.5° | 60.1° |
| H72 | C7P | C6P | H62 | 156.0° | 180.0° |
| C5P | C6P | H61 | H62 | 117.0° | 120.0° |
| C6P | C5P | O5P | N4P | 179.4° | 179.9° |
| C6P | C5P | N4P | C3P | 125.3° | 180.0° |
| C6P | C5P | N4P | HN4 | 54.6° | 0.1° |
| H61 | C6P | C5P | O5P | 85.4° | 120.1° |
| H61 | C6P | C5P | N4P | 94.0° | 60.0° |
| H62 | C6P | C5P | O5P | 24.1° | 120.0° |
| H62 | C6P | C5P | N4P | 156.5° | 59.9° |
| O5P | C5P | N4P | C3P | 54.0° | 0.1° |
| O5P | C5P | N4P | HN4 | 126.0° | 180.0° |
| C5P | N4P | C3P | HN4 | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 27.1° | 180.0° |
| C5P | N4P | C3P | H31 | 98.2° | 60.0° |
| C5P | N4P | C3P | H32 | 152.4° | 60.0° |
| N4P | C3P | C2P | H31 | 125.3° | 120.0° |
| N4P | C3P | C2P | H32 | 125.3° | 120.0° |
| N4P | C3P | H31 | H32 | 116.2° | 120.0° |
| N4P | C3P | C2P | S1P | 139.8° | 180.0° |
| N4P | C3P | C2P | H21 | 14.5° | 60.0° |
| N4P | C3P | C2P | H22 | 95.0° | 60.0° |
| HN4 | N4P | C3P | C2P | 152.9° | 0.0° |
| HN4 | N4P | C3P | H31 | 81.8° | 120.0° |
| HN4 | N4P | C3P | H32 | 27.6° | 120.0° |
| C2P | C3P | H31 | H32 | 116.2° | 120.0° |
| C3P | C2P | S1P | H21 | 125.3° | 120.0° |
| C3P | C2P | S1P | H22 | 125.2° | 120.0° |
| C3P | C2P | H21 | H22 | 118.7° | 120.0° |
| C3P | C2P | S1P | C9 | 74.4° | 180.0° |
| H31 | C3P | C2P | S1P | 94.9° | 60.0° |
| H31 | C3P | C2P | H21 | 139.8° | 180.0° |
| H31 | C3P | C2P | H22 | 30.3° | 59.9° |
| H32 | C3P | C2P | S1P | 14.5° | 60.0° |
| H32 | C3P | C2P | H21 | 110.7° | 60.0° |
| H32 | C3P | C2P | H22 | 139.8° | 180.0° |
| S1P | C2P | H21 | H22 | 118.7° | 120.0° |
| C2P | S1P | C9 | C8 | 143.8° | 180.0° |
| C2P | S1P | C9 | O10 | 36.5° | 0.0° |
| H21 | C2P | S1P | C9 | 50.9° | 60.1° |
| H22 | C2P | S1P | C9 | 160.4° | 60.0° |
| S1P | C9 | C8 | C7 | 1.4° | 179.9° |
| S1P | C9 | C8 | O10 | 179.8° | 180.0° |
| S1P | C9 | C8 | H8 | 178.6° | 0.0° |
| C2 | C1 | C6 | O12 | 179.9° | 179.5° |
| C1 | C2 | C3 | O11 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 0.4° | 0.3° |
| C1 | C2 | C3 | H6 | 179.6° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | O13 | 179.9° | 179.7° |
| C1 | C2 | O11 | H111 | 180.0° | 89.7° |
| C2 | C1 | O12 | H112 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | O11 | 179.5° | 179.8° |
| C1 | C6 | C5 | C4 | 0.3° | 0.2° |
| C1 | C6 | C5 | O13 | 179.8° | 179.8° |
| C1 | C6 | C5 | H5 | 179.7° | 179.8° |
| C6 | C1 | O12 | H112 | 0.1° | 90.5° |
| C1 | C6 | O13 | C13 | 75.4° | 179.8° |
| O12 | C1 | C2 | C3 | 179.9° | 180.0° |
| O12 | C1 | C2 | O11 | 0.4° | 0.3° |
| O12 | C1 | C6 | C5 | 179.8° | 180.0° |
| O12 | C1 | C6 | O13 | 0.0° | 0.2° |
| C2 | C3 | C4 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | C7 | 178.6° | 180.0° |
| C3 | C2 | O11 | H111 | 0.3° | 90.0° |
| O11 | C2 | C3 | C4 | 179.3° | 180.0° |
| O11 | C2 | C3 | H6 | 0.7° | 0.1° |
| C3 | C4 | C5 | C7 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C7 | C8 | 3.2° | 0.0° |
| C3 | C4 | C7 | H7 | 176.8° | 180.0° |
| H6 | C3 | C4 | C5 | 179.8° | 179.9° |
| H6 | C3 | C4 | C7 | 1.4° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O13 | 179.9° | 180.0° |
| C5 | C4 | C7 | C8 | 177.9° | 180.0° |
| C5 | C4 | C7 | H7 | 2.1° | 0.0° |
| C7 | C4 | C5 | C6 | 179.0° | 180.0° |
| C7 | C4 | C5 | H5 | 1.0° | 0.0° |
| C4 | C7 | C8 | H7 | 180.0° | 180.0° |
| C4 | C7 | C8 | C9 | 179.5° | 180.0° |
| C4 | C7 | C8 | H8 | 0.5° | 0.1° |
| C5 | C6 | O13 | C13 | 104.4° | 0.1° |
| H5 | C5 | C6 | O13 | 0.1° | 0.0° |
| C6 | O13 | C13 | H131 | 54.8° | 179.9° |
| C6 | O13 | C13 | H132 | 180.0° | 60.0° |
| C6 | O13 | C13 | H133 | 54.7° | 60.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | O10 | 178.8° | 0.0° |
| H7 | C7 | C8 | C9 | 0.5° | 0.0° |
| H7 | C7 | C8 | H8 | 179.5° | 180.0° |
| H8 | C8 | C9 | O10 | 1.2° | 180.0° |
| O13 | C13 | H131 | H132 | 135.5° | 120.0° |
| O13 | C13 | H131 | H133 | 112.2° | 120.0° |
| O13 | C13 | H132 | H133 | 125.3° | 120.0° |
| H131 | C13 | H132 | H133 | 109.5° | 120.0° |
