GTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.40Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.41Å | 1.57Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.48Å | Aromatic |
| N7 | C7 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | doub | 1.30Å | 1.40Å | Aromatic |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.36Å | 1.46Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C1A | sing | 1.46Å | 1.42Å | |
| C4 | N3 | sing | 1.34Å | 1.47Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.49Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O3A | C3A | sing | 1.43Å | 1.43Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| C1A | C2A | sing | 1.54Å | 1.54Å | |
| C1A | O4A | sing | 1.44Å | 1.46Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C2A | C3A | sing | 1.55Å | 1.50Å | |
| C2A | O2A | sing | 1.43Å | 1.43Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C3A | C4A | sing | 1.55Å | 1.56Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C4A | C5A | sing | 1.53Å | 1.57Å | |
| C4A | O4A | sing | 1.45Å | 1.43Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C5A | O15 | sing | 1.43Å | 1.48Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| P1 | O11 | doub | 1.48Å | 1.56Å | |
| P1 | O12 | sing | 1.61Å | 1.58Å | |
| P1 | O13 | sing | 1.61Å | 1.41Å | |
| P1 | O15 | sing | 1.61Å | 1.63Å | |
| O12 | H122 | sing | 0.97Å | 0.95Å | |
| O13 | P2 | sing | 1.61Å | 1.69Å | |
| P2 | O22 | sing | 1.61Å | 1.56Å | |
| P2 | O21 | doub | 1.48Å | 1.53Å | |
| P2 | O23 | sing | 1.61Å | 1.29Å | |
| O22 | H222 | sing | 0.97Å | 0.95Å | |
| O23 | P3 | sing | 1.61Å | 1.55Å | |
| P3 | O32 | sing | 1.61Å | 1.44Å | |
| P3 | O31 | doub | 1.48Å | 1.54Å | |
| P3 | O33 | sing | 1.61Å | 1.63Å | |
| O32 | H322 | sing | 0.97Å | 0.95Å | |
| O33 | C5B | sing | 1.43Å | 1.63Å | |
| C5B | C4B | sing | 1.53Å | 1.34Å | |
| C5B | H5B1 | sing | 1.09Å | 1.10Å | |
| C5B | H5B2 | sing | 1.09Å | 1.10Å | |
| C4B | O4B | sing | 1.44Å | 1.49Å | |
| C4B | C3B | sing | 1.54Å | 1.54Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| O4B | C1B | sing | 1.44Å | 1.48Å | |
| C3B | O3B | sing | 1.43Å | 1.47Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.49Å | |
| C2B | C1B | sing | 1.55Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C1B | N9C | sing | 1.47Å | 1.57Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| N9C | C8C | sing | 1.36Å | 1.40Å | Aromatic |
| N9C | C4C | sing | 1.37Å | 1.37Å | Aromatic |
| C8C | N7C | doub | 1.30Å | 1.32Å | Aromatic |
| C8C | H8C | sing | 1.08Å | 1.08Å | |
| N7C | C5C | sing | 1.35Å | 1.48Å | Aromatic |
| C5C | C6C | doub | 1.41Å | 1.36Å | Aromatic |
| C5C | C4C | sing | 1.40Å | 1.50Å | Aromatic |
| C6C | N6C | sing | 1.38Å | 1.29Å | |
| C6C | N1C | sing | 1.33Å | 1.47Å | Aromatic |
| N6C | HN61 | sing | 0.97Å | 1.00Å | |
| N6C | HN62 | sing | 0.97Å | 1.00Å | |
| N1C | C2C | doub | 1.32Å | 1.44Å | Aromatic |
| C2C | N3C | sing | 1.32Å | 1.39Å | Aromatic |
| C2C | H2C | sing | 1.08Å | 1.08Å | |
| N3C | C4C | doub | 1.33Å | 1.47Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N2 | HN21 | 125.2° | 120.0° |
| C2 | N2 | HN22 | 109.7° | 120.0° |
| N2 | C2 | N3 | 120.4° | 119.0° |
| N2 | C2 | N1 | 121.2° | 119.0° |
| HN21 | N2 | HN22 | 125.1° | 120.0° |
| O6 | C6 | C5 | 123.7° | 120.8° |
| O6 | C6 | N1 | 119.5° | 120.8° |
| C5 | C6 | N1 | 116.8° | 118.4° |
| C6 | C5 | N7 | 129.7° | 134.2° |
| C6 | C5 | C4 | 117.1° | 118.6° |
| C6 | N1 | C2 | 124.1° | 120.3° |
| C6 | N1 | HN1 | 117.9° | 119.8° |
| N7 | C5 | C4 | 113.2° | 107.3° |
| C5 | N7 | C7 | 132.7° | 125.4° |
| C5 | N7 | C8 | 96.9° | 109.3° |
| C5 | C4 | N9 | 109.7° | 106.1° |
| C5 | C4 | N3 | 118.9° | 119.7° |
| C7 | N7 | C8 | 130.4° | 125.3° |
| N7 | C7 | H71 | 109.5° | 109.5° |
| N7 | C7 | H72 | 109.5° | 109.4° |
| N7 | C7 | H73 | 109.5° | 109.5° |
| N7 | C8 | N9 | 121.2° | 109.8° |
| N7 | C8 | H8 | 119.4° | 125.1° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.4° |
| N9 | C8 | H8 | 119.4° | 125.1° |
| C8 | N9 | C4 | 98.9° | 107.5° |
| C8 | N9 | C1A | 132.5° | 126.3° |
| C4 | N9 | C1A | 128.6° | 126.2° |
| N9 | C4 | N3 | 131.3° | 134.2° |
| N9 | C1A | C2A | 115.4° | 110.4° |
| N9 | C1A | O4A | 108.9° | 110.4° |
| N9 | C1A | H1A | 105.4° | 110.4° |
| C4 | N3 | C2 | 124.7° | 121.1° |
| N3 | C2 | N1 | 118.4° | 121.9° |
| C2 | N1 | HN1 | 118.0° | 119.9° |
| C3A | O3A | HO3A | 109.5° | 106.7° |
| O3A | C3A | C2A | 112.8° | 110.6° |
| O3A | C3A | C4A | 116.6° | 110.5° |
| O3A | C3A | H3A | 100.2° | 110.5° |
| C2A | C1A | O4A | 108.2° | 104.9° |
| C2A | C1A | H1A | 106.1° | 110.4° |
| C1A | C2A | C3A | 101.4° | 104.1° |
| C1A | C2A | O2A | 108.0° | 110.8° |
| C1A | C2A | H2A | 116.1° | 110.4° |
| O4A | C1A | H1A | 112.9° | 110.4° |
| C1A | O4A | C4A | 108.2° | 105.3° |
| C3A | C2A | O2A | 111.4° | 110.5° |
| C3A | C2A | H2A | 113.0° | 110.5° |
| C2A | C3A | C4A | 102.9° | 104.1° |
| C2A | C3A | H3A | 114.5° | 110.6° |
| O2A | C2A | H2A | 106.9° | 110.4° |
| C2A | O2A | HO2A | 109.5° | 106.8° |
| C4A | C3A | H3A | 110.5° | 110.5° |
| C3A | C4A | C5A | 127.7° | 110.5° |
| C3A | C4A | O4A | 105.1° | 104.8° |
| C3A | C4A | H4A | 98.8° | 110.4° |
| C5A | C4A | O4A | 106.3° | 110.4° |
| C5A | C4A | H4A | 97.4° | 110.3° |
| C4A | C5A | O15 | 100.3° | 109.5° |
| C4A | C5A | H5A1 | 114.5° | 109.5° |
| C4A | C5A | H5A2 | 112.6° | 109.5° |
| O4A | C4A | H4A | 123.4° | 110.3° |
| O15 | C5A | H5A1 | 114.6° | 109.5° |
| O15 | C5A | H5A2 | 112.6° | 109.4° |
| C5A | O15 | P1 | 123.4° | 106.8° |
| H5A1 | C5A | H5A2 | 102.7° | 109.5° |
| O11 | P1 | O12 | 111.8° | 109.5° |
| O11 | P1 | O13 | 93.1° | 109.4° |
| O11 | P1 | O15 | 110.7° | 109.5° |
| O12 | P1 | O13 | 124.6° | 109.5° |
| O12 | P1 | O15 | 115.9° | 109.5° |
| P1 | O12 | H122 | 109.5° | 106.8° |
| O13 | P1 | O15 | 98.1° | 109.5° |
| P1 | O13 | P2 | 122.5° | 106.8° |
| O13 | P2 | O22 | 113.0° | 109.5° |
| O13 | P2 | O21 | 110.6° | 109.5° |
| O13 | P2 | O23 | 124.7° | 109.5° |
| O22 | P2 | O21 | 108.1° | 109.5° |
| O22 | P2 | O23 | 105.5° | 109.5° |
| P2 | O22 | H222 | 109.5° | 106.7° |
| O21 | P2 | O23 | 92.5° | 109.5° |
| P2 | O23 | P3 | 131.2° | 106.8° |
| O23 | P3 | O32 | 106.8° | 109.4° |
| O23 | P3 | O31 | 112.0° | 109.4° |
| O23 | P3 | O33 | 134.1° | 109.5° |
| O32 | P3 | O31 | 108.5° | 109.5° |
| O32 | P3 | O33 | 100.5° | 109.5° |
| P3 | O32 | H322 | 109.5° | 106.8° |
| O31 | P3 | O33 | 92.7° | 109.5° |
| P3 | O33 | C5B | 134.5° | 106.8° |
| O33 | C5B | C4B | 111.1° | 109.4° |
| O33 | C5B | H5B1 | 108.6° | 109.5° |
| O33 | C5B | H5B2 | 108.9° | 109.5° |
| C4B | C5B | H5B1 | 108.5° | 109.5° |
| C4B | C5B | H5B2 | 108.9° | 109.5° |
| C5B | C4B | O4B | 116.8° | 109.9° |
| C5B | C4B | C3B | 118.7° | 109.8° |
| C5B | C4B | H4B | 94.5° | 109.9° |
| H5B1 | C5B | H5B2 | 110.8° | 109.5° |
| O4B | C4B | C3B | 100.5° | 107.4° |
| O4B | C4B | H4B | 114.7° | 109.9° |
| C4B | O4B | C1B | 110.9° | 107.0° |
| C3B | C4B | H4B | 112.5° | 109.9° |
| C4B | C3B | O3B | 114.3° | 110.8° |
| C4B | C3B | C2B | 104.7° | 104.0° |
| C4B | C3B | H3B | 111.1° | 110.5° |
| O4B | C1B | C2B | 105.9° | 103.5° |
| O4B | C1B | N9C | 104.1° | 110.6° |
| O4B | C1B | H1B | 117.9° | 110.6° |
| O3B | C3B | C2B | 113.7° | 110.5° |
| O3B | C3B | H3B | 101.6° | 110.4° |
| C3B | O3B | HO3B | 109.5° | 106.8° |
| C2B | C3B | H3B | 111.7° | 110.5° |
| C3B | C2B | O2B | 112.0° | 110.9° |
| C3B | C2B | C1B | 101.7° | 102.1° |
| C3B | C2B | H2B | 115.9° | 111.0° |
| O2B | C2B | C1B | 117.1° | 110.9° |
| O2B | C2B | H2B | 100.1° | 110.8° |
| C2B | O2B | HO2B | 109.5° | 106.8° |
| C1B | C2B | H2B | 110.7° | 110.9° |
| C2B | C1B | N9C | 117.0° | 110.7° |
| C2B | C1B | H1B | 105.4° | 110.6° |
| N9C | C1B | H1B | 107.1° | 110.6° |
| C1B | N9C | C8C | 135.8° | 126.3° |
| C1B | N9C | C4C | 116.9° | 126.3° |
| C8C | N9C | C4C | 107.3° | 107.5° |
| N9C | C8C | N7C | 110.2° | 109.9° |
| N9C | C8C | H8C | 125.0° | 125.1° |
| N9C | C4C | C5C | 111.2° | 106.0° |
| N9C | C4C | N3C | 126.0° | 134.9° |
| N7C | C8C | H8C | 124.9° | 125.0° |
| C8C | N7C | C5C | 112.2° | 109.5° |
| N7C | C5C | C6C | 139.9° | 134.7° |
| N7C | C5C | C4C | 99.1° | 107.1° |
| C6C | C5C | C4C | 121.0° | 118.2° |
| C5C | C6C | N6C | 124.5° | 120.8° |
| C5C | C6C | N1C | 114.2° | 118.4° |
| C5C | C4C | N3C | 122.8° | 119.1° |
| N6C | C6C | N1C | 121.3° | 120.8° |
| C6C | N6C | HN61 | 109.5° | 120.0° |
| C6C | N6C | HN62 | 109.5° | 120.0° |
| C6C | N1C | C2C | 127.1° | 121.2° |
| HN61 | N6C | HN62 | 109.5° | 120.0° |
| N1C | C2C | N3C | 118.8° | 122.5° |
| N1C | C2C | H2C | 120.6° | 118.8° |
| N3C | C2C | H2C | 120.6° | 118.8° |
| C2C | N3C | C4C | 116.2° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N2 | HN21 | HN22 | 180.0° | 180.0° |
| N2 | C2 | N1 | C6 | 179.7° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N2 | C2 | N3 | N1 | 179.9° | 180.0° |
| N2 | C2 | N1 | HN1 | 0.3° | 0.0° |
| HN21 | N2 | C2 | N3 | 180.0° | 0.0° |
| HN21 | N2 | C2 | N1 | 0.2° | 180.0° |
| HN22 | N2 | C2 | N3 | 0.0° | 179.9° |
| HN22 | N2 | C2 | N1 | 179.9° | 0.0° |
| O6 | C6 | C5 | N1 | 179.9° | 179.8° |
| O6 | C6 | C5 | N7 | 0.1° | 0.5° |
| O6 | C6 | C5 | C4 | 179.9° | 179.8° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.1° | 0.0° |
| C6 | C5 | N7 | C4 | 180.0° | 179.3° |
| C6 | C5 | N7 | C7 | 0.1° | 0.6° |
| C6 | C5 | N7 | C8 | 179.9° | 179.6° |
| C6 | C5 | C4 | N9 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.4° |
| C5 | C6 | N1 | C2 | 0.1° | 0.2° |
| C5 | C6 | N1 | HN1 | 180.0° | 179.8° |
| N1 | C6 | C5 | N7 | 180.0° | 179.7° |
| N1 | C6 | C5 | C4 | 0.0° | 0.4° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C5 | N7 | C7 | C8 | 179.7° | 179.8° |
| C5 | N7 | C7 | H71 | 111.3° | 90.2° |
| C5 | N7 | C7 | H72 | 128.6° | 29.8° |
| C5 | N7 | C7 | H73 | 8.6° | 149.7° |
| C5 | N7 | C8 | N9 | 0.0° | 0.2° |
| C5 | N7 | C8 | H8 | 180.0° | 179.8° |
| N7 | C5 | C4 | N9 | 0.1° | 0.3° |
| N7 | C5 | C4 | N3 | 179.9° | 179.9° |
| C4 | C5 | N7 | C7 | 179.9° | 179.9° |
| C4 | C5 | N7 | C8 | 0.1° | 0.3° |
| C5 | C4 | N9 | C8 | 0.1° | 0.2° |
| C5 | C4 | N9 | N3 | 179.9° | 179.8° |
| C5 | C4 | N9 | C1A | 179.5° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.2° |
| N7 | C7 | H71 | H72 | 120.0° | 119.9° |
| N7 | C7 | H71 | H73 | 120.0° | 120.1° |
| N7 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | N7 | C8 | N9 | 179.8° | 180.0° |
| C7 | N7 | C8 | H8 | 0.2° | 0.1° |
| C8 | N7 | C7 | H71 | 68.4° | 90.0° |
| C8 | N7 | C7 | H72 | 51.6° | 150.0° |
| C8 | N7 | C7 | H73 | 171.6° | 30.1° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | C1A | 179.6° | 179.9° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| C8 | N9 | C4 | C1A | 179.6° | 179.9° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C8 | N9 | C1A | C2A | 106.1° | 93.5° |
| C8 | N9 | C1A | O4A | 15.8° | 22.0° |
| C8 | N9 | C1A | H1A | 137.3° | 144.2° |
| H8 | C8 | N9 | C4 | 179.9° | 180.0° |
| H8 | C8 | N9 | C1A | 0.4° | 0.0° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | N9 | C1A | C2A | 73.4° | 86.6° |
| C4 | N9 | C1A | O4A | 164.6° | 157.9° |
| C4 | N9 | C1A | H1A | 43.2° | 35.7° |
| C1A | N9 | C4 | N3 | 0.4° | 0.0° |
| N9 | C1A | C2A | O4A | 122.3° | 118.8° |
| N9 | C1A | C2A | H1A | 116.3° | 122.3° |
| N9 | C1A | O4A | H1A | 116.7° | 122.3° |
| N9 | C1A | C2A | C3A | 98.6° | 142.7° |
| N9 | C1A | C2A | O2A | 144.2° | 98.6° |
| N9 | C1A | C2A | H2A | 24.2° | 24.1° |
| N9 | C1A | O4A | C4A | 125.1° | 159.3° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.9° | 180.0° |
| O3A | C3A | C2A | C1A | 161.6° | 118.7° |
| O3A | C3A | C2A | C4A | 126.4° | 118.6° |
| O3A | C3A | C2A | H3A | 113.7° | 122.7° |
| O3A | C3A | C2A | O2A | 46.9° | 0.2° |
| O3A | C3A | C2A | H2A | 73.5° | 122.7° |
| O3A | C3A | C4A | H3A | 113.4° | 122.6° |
| O3A | C3A | C4A | C5A | 74.5° | 98.3° |
| O3A | C3A | C4A | O4A | 160.4° | 142.7° |
| O3A | C3A | C4A | H4A | 32.1° | 24.0° |
| HO3A | O3A | C3A | C2A | 138.7° | 65.4° |
| HO3A | O3A | C3A | C4A | 20.1° | 180.0° |
| HO3A | O3A | C3A | H3A | 99.2° | 57.4° |
| C2A | C1A | O4A | H1A | 117.1° | 118.9° |
| C1A | C2A | C3A | O2A | 114.6° | 118.9° |
| C1A | C2A | C3A | H2A | 125.0° | 118.6° |
| C1A | C2A | O2A | H2A | 125.6° | 122.7° |
| C1A | C2A | C3A | C4A | 35.2° | 0.1° |
| C1A | C2A | C3A | H3A | 84.8° | 118.5° |
| C2A | C1A | O4A | C4A | 1.0° | 40.4° |
| C1A | C2A | O2A | HO2A | 100.8° | 176.2° |
| O4A | C1A | C2A | C3A | 23.7° | 23.9° |
| O4A | C1A | C2A | O2A | 93.5° | 142.6° |
| O4A | C1A | C2A | H2A | 146.5° | 94.7° |
| C1A | O4A | C4A | C3A | 21.5° | 40.5° |
| C1A | O4A | C4A | C5A | 159.2° | 159.5° |
| C1A | O4A | C4A | H4A | 90.1° | 78.3° |
| H1A | C1A | C2A | C3A | 145.1° | 95.0° |
| H1A | C1A | C2A | O2A | 27.9° | 23.7° |
| H1A | C1A | C2A | H2A | 92.1° | 146.4° |
| H1A | C1A | O4A | C4A | 118.2° | 78.4° |
| C3A | C2A | O2A | H2A | 123.9° | 122.6° |
| C2A | C3A | C4A | H3A | 122.6° | 118.7° |
| C2A | C3A | C4A | C5A | 161.6° | 143.0° |
| C2A | C3A | C4A | O4A | 36.5° | 24.0° |
| C2A | C3A | C4A | H4A | 91.8° | 94.7° |
| C3A | C2A | O2A | HO2A | 9.7° | 61.4° |
| O2A | C2A | C3A | C4A | 79.5° | 118.8° |
| O2A | C2A | C3A | H3A | 160.6° | 122.5° |
| H2A | C2A | C3A | C4A | 160.1° | 118.7° |
| H2A | C2A | C3A | H3A | 40.2° | 0.0° |
| H2A | C2A | O2A | HO2A | 133.6° | 61.1° |
| C3A | C4A | C5A | O4A | 124.7° | 115.4° |
| C3A | C4A | C5A | H4A | 107.2° | 122.4° |
| C3A | C4A | O4A | H4A | 111.6° | 118.8° |
| C3A | C4A | C5A | O15 | 56.9° | 178.1° |
| C3A | C4A | C5A | H5A1 | 66.3° | 58.1° |
| C3A | C4A | C5A | H5A2 | 176.9° | 61.9° |
| H3A | C3A | C4A | C5A | 39.0° | 24.2° |
| H3A | C3A | C4A | O4A | 86.2° | 94.7° |
| H3A | C3A | C4A | H4A | 145.6° | 146.6° |
| C5A | C4A | O4A | H4A | 110.7° | 122.2° |
| C4A | C5A | O15 | H5A1 | 123.1° | 120.0° |
| C4A | C5A | O15 | H5A2 | 120.0° | 120.0° |
| C4A | C5A | H5A1 | H5A2 | 122.4° | 120.0° |
| C4A | C5A | O15 | P1 | 147.4° | 180.0° |
| O4A | C4A | C5A | O15 | 67.8° | 66.4° |
| O4A | C4A | C5A | H5A1 | 169.0° | 173.5° |
| O4A | C4A | C5A | H5A2 | 52.2° | 53.5° |
| H4A | C4A | C5A | O15 | 164.1° | 55.8° |
| H4A | C4A | C5A | H5A1 | 41.0° | 64.3° |
| H4A | C4A | C5A | H5A2 | 75.9° | 175.7° |
| O15 | C5A | H5A1 | H5A2 | 122.5° | 120.0° |
| C5A | O15 | P1 | O11 | 178.7° | 55.0° |
| C5A | O15 | P1 | O12 | 50.1° | 65.0° |
| C5A | O15 | P1 | O13 | 84.8° | 175.0° |
| H5A1 | C5A | O15 | P1 | 89.4° | 60.0° |
| H5A2 | C5A | O15 | P1 | 27.4° | 60.0° |
| O11 | P1 | O12 | O13 | 110.3° | 120.0° |
| O11 | P1 | O12 | O15 | 128.1° | 120.0° |
| O11 | P1 | O13 | O15 | 111.4° | 120.0° |
| O11 | P1 | O12 | H122 | 56.7° | 180.0° |
| O11 | P1 | O13 | P2 | 156.2° | 45.0° |
| O12 | P1 | O13 | O15 | 129.3° | 120.0° |
| O12 | P1 | O13 | P2 | 36.9° | 75.0° |
| O13 | P1 | O12 | H122 | 166.9° | 60.0° |
| P1 | O13 | P2 | O22 | 0.2° | 80.0° |
| P1 | O13 | P2 | O21 | 121.5° | 40.0° |
| P1 | O13 | P2 | O23 | 130.0° | 160.0° |
| O15 | P1 | O12 | H122 | 71.4° | 60.0° |
| O15 | P1 | O13 | P2 | 92.4° | 165.0° |
| O13 | P2 | O22 | O21 | 122.8° | 120.0° |
| O13 | P2 | O22 | O23 | 139.3° | 120.0° |
| O13 | P2 | O21 | O23 | 128.7° | 120.0° |
| O13 | P2 | O22 | H222 | 177.2° | 60.0° |
| O13 | P2 | O23 | P3 | 0.0° | 165.0° |
| O22 | P2 | O21 | O23 | 107.2° | 120.0° |
| O22 | P2 | O23 | P3 | 133.1° | 75.0° |
| O21 | P2 | O22 | H222 | 54.5° | 179.9° |
| O21 | P2 | O23 | P3 | 117.4° | 45.0° |
| O23 | P2 | O22 | H222 | 43.5° | 60.1° |
| P2 | O23 | P3 | O32 | 179.2° | 80.0° |
| P2 | O23 | P3 | O31 | 60.6° | 40.0° |
| P2 | O23 | P3 | O33 | 56.9° | 160.0° |
| O23 | P3 | O32 | O31 | 120.8° | 120.0° |
| O23 | P3 | O32 | O33 | 142.7° | 120.0° |
| O23 | P3 | O31 | O33 | 140.4° | 120.0° |
| O23 | P3 | O32 | H322 | 90.3° | 60.0° |
| O23 | P3 | O33 | C5B | 91.0° | 175.0° |
| O32 | P3 | O31 | O33 | 102.0° | 120.1° |
| O32 | P3 | O33 | C5B | 142.9° | 65.0° |
| O31 | P3 | O32 | H322 | 30.5° | 180.0° |
| O31 | P3 | O33 | C5B | 33.6° | 55.0° |
| O33 | P3 | O32 | H322 | 127.0° | 60.0° |
| P3 | O33 | C5B | C4B | 109.3° | 180.0° |
| P3 | O33 | C5B | H5B1 | 10.0° | 60.0° |
| P3 | O33 | C5B | H5B2 | 130.7° | 60.0° |
| O33 | C5B | C4B | H5B1 | 119.3° | 120.0° |
| O33 | C5B | C4B | H5B2 | 120.0° | 120.0° |
| O33 | C5B | H5B1 | H5B2 | 119.6° | 120.0° |
| O33 | C5B | C4B | O4B | 59.3° | 66.7° |
| O33 | C5B | C4B | C3B | 180.0° | 175.3° |
| O33 | C5B | C4B | H4B | 61.2° | 54.3° |
| C4B | C5B | H5B1 | H5B2 | 119.5° | 120.0° |
| C5B | C4B | O4B | C3B | 129.9° | 119.5° |
| C5B | C4B | O4B | H4B | 109.2° | 121.0° |
| C5B | C4B | C3B | H4B | 108.9° | 121.0° |
| C5B | C4B | O4B | C1B | 153.5° | 145.9° |
| C5B | C4B | C3B | O3B | 68.0° | 119.9° |
| C5B | C4B | C3B | C2B | 167.0° | 121.4° |
| C5B | C4B | C3B | H3B | 46.3° | 2.8° |
| H5B1 | C5B | C4B | O4B | 178.7° | 53.2° |
| H5B1 | C5B | C4B | C3B | 60.7° | 64.7° |
| H5B1 | C5B | C4B | H4B | 58.1° | 174.3° |
| H5B2 | C5B | C4B | O4B | 60.6° | 173.3° |
| H5B2 | C5B | C4B | C3B | 60.0° | 55.4° |
| H5B2 | C5B | C4B | H4B | 178.8° | 65.7° |
| O4B | C4B | C3B | H4B | 122.5° | 119.5° |
| O4B | C4B | C3B | O3B | 163.4° | 120.6° |
| O4B | C4B | C3B | C2B | 38.4° | 1.9° |
| O4B | C4B | C3B | H3B | 82.4° | 116.7° |
| C4B | O4B | C1B | C2B | 0.1° | 40.1° |
| C4B | O4B | C1B | N9C | 124.0° | 158.7° |
| C4B | O4B | C1B | H1B | 117.5° | 78.4° |
| C3B | C4B | O4B | C1B | 23.6° | 26.5° |
| C4B | C3B | O3B | C2B | 120.2° | 114.7° |
| C4B | C3B | O3B | H3B | 119.7° | 122.7° |
| C4B | C3B | C2B | H3B | 120.3° | 118.6° |
| C4B | C3B | O3B | HO3B | 130.4° | 176.2° |
| C4B | C3B | C2B | O2B | 87.1° | 139.2° |
| C4B | C3B | C2B | C1B | 38.7° | 21.0° |
| C4B | C3B | C2B | H2B | 158.8° | 97.2° |
| H4B | C4B | O4B | C1B | 97.3° | 93.0° |
| H4B | C4B | C3B | O3B | 41.0° | 1.1° |
| H4B | C4B | C3B | C2B | 84.1° | 117.6° |
| H4B | C4B | C3B | H3B | 155.2° | 123.8° |
| O4B | C1B | C2B | C3B | 23.7° | 37.1° |
| O4B | C1B | C2B | O2B | 98.7° | 155.3° |
| O4B | C1B | C2B | N9C | 115.5° | 118.5° |
| O4B | C1B | C2B | H1B | 125.7° | 118.5° |
| O4B | C1B | C2B | H2B | 147.5° | 81.2° |
| O4B | C1B | N9C | H1B | 125.6° | 122.9° |
| O4B | C1B | N9C | C8C | 25.1° | 23.5° |
| O4B | C1B | N9C | C4C | 155.0° | 156.7° |
| O3B | C3B | C2B | H3B | 114.3° | 122.5° |
| O3B | C3B | C2B | O2B | 38.3° | 20.3° |
| O3B | C3B | C2B | C1B | 164.1° | 97.9° |
| O3B | C3B | C2B | H2B | 75.7° | 143.8° |
| C2B | C3B | O3B | HO3B | 109.4° | 61.4° |
| C3B | C2B | O2B | C1B | 117.0° | 112.7° |
| C3B | C2B | O2B | H2B | 123.4° | 123.7° |
| C3B | C2B | C1B | H2B | 123.7° | 118.3° |
| C3B | C2B | O2B | HO2B | 67.9° | 67.3° |
| C3B | C2B | C1B | N9C | 91.7° | 155.6° |
| C3B | C2B | C1B | H1B | 149.4° | 81.4° |
| H3B | C3B | O3B | HO3B | 10.7° | 61.1° |
| H3B | C3B | C2B | O2B | 152.5° | 102.2° |
| H3B | C3B | C2B | C1B | 81.6° | 139.6° |
| H3B | C3B | C2B | H2B | 38.5° | 21.4° |
| O2B | C2B | C1B | H2B | 113.8° | 123.6° |
| O2B | C2B | C1B | N9C | 145.8° | 86.2° |
| O2B | C2B | C1B | H1B | 27.0° | 36.8° |
| C1B | C2B | O2B | HO2B | 175.1° | 180.0° |
| C2B | C1B | N9C | H1B | 117.9° | 123.0° |
| C2B | C1B | N9C | C8C | 91.3° | 90.6° |
| C2B | C1B | N9C | C4C | 88.6° | 89.2° |
| H2B | C2B | O2B | HO2B | 55.5° | 56.4° |
| H2B | C2B | C1B | N9C | 32.0° | 37.3° |
| H2B | C2B | C1B | H1B | 86.9° | 160.3° |
| C1B | N9C | C8C | C4C | 179.9° | 179.8° |
| C1B | N9C | C8C | N7C | 179.8° | 180.0° |
| C1B | N9C | C8C | H8C | 0.2° | 0.1° |
| C1B | N9C | C4C | C5C | 179.8° | 179.9° |
| C1B | N9C | C4C | N3C | 0.1° | 0.7° |
| H1B | C1B | N9C | C8C | 150.8° | 146.4° |
| H1B | C1B | N9C | C4C | 29.3° | 33.8° |
| N9C | C8C | N7C | H8C | 180.0° | 179.9° |
| N9C | C8C | N7C | C5C | 0.0° | 0.1° |
| C8C | N9C | C4C | C5C | 0.1° | 0.4° |
| C8C | N9C | C4C | N3C | 179.9° | 179.5° |
| C4C | N9C | C8C | N7C | 0.1° | 0.2° |
| C4C | N9C | C8C | H8C | 179.9° | 179.7° |
| N9C | C4C | C5C | N7C | 0.1° | 0.4° |
| N9C | C4C | C5C | C6C | 179.8° | 179.8° |
| N9C | C4C | C5C | N3C | 179.9° | 179.3° |
| N9C | C4C | N3C | C2C | 179.9° | 179.6° |
| C8C | N7C | C5C | C6C | 179.9° | 180.0° |
| C8C | N7C | C5C | C4C | 0.0° | 0.3° |
| H8C | C8C | N7C | C5C | 180.0° | 180.0° |
| N7C | C5C | C6C | C4C | 179.9° | 179.7° |
| N7C | C5C | C6C | N6C | 0.1° | 0.0° |
| N7C | C5C | C6C | N1C | 180.0° | 180.0° |
| N7C | C5C | C4C | N3C | 180.0° | 179.7° |
| C5C | C6C | N6C | N1C | 179.9° | 180.0° |
| C5C | C6C | N6C | HN61 | 20.6° | 0.1° |
| C5C | C6C | N6C | HN62 | 99.4° | 179.9° |
| C5C | C6C | N1C | C2C | 0.0° | 0.0° |
| C6C | C5C | C4C | N3C | 0.1° | 0.5° |
| C4C | C5C | C6C | N6C | 179.9° | 179.7° |
| C4C | C5C | C6C | N1C | 0.1° | 0.3° |
| C5C | C4C | N3C | C2C | 0.0° | 0.5° |
| C6C | N6C | HN61 | HN62 | 120.0° | 179.9° |
| N6C | C6C | N1C | C2C | 179.9° | 179.9° |
| N1C | C6C | N6C | HN61 | 159.4° | 180.0° |
| N1C | C6C | N6C | HN62 | 80.6° | 0.1° |
| C6C | N1C | C2C | N3C | 0.1° | 0.0° |
| C6C | N1C | C2C | H2C | 179.9° | 180.0° |
| N1C | C2C | N3C | H2C | 180.0° | 179.9° |
| N1C | C2C | N3C | C4C | 0.1° | 0.3° |
| H2C | C2C | N3C | C4C | 179.9° | 179.8° |
