CGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6A | C6A | sing | 1.38Å | 1.35Å | |
| N1A | C6A | doub | 1.33Å | 1.35Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| C6A | C5M | sing | 1.41Å | 1.47Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.35Å | Aromatic |
| C5M | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C5M | C4A | doub | 1.41Å | 1.47Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.36Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.36Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.36Å | Aromatic |
| N9A | CA5 | sing | 1.47Å | 1.47Å | |
| CA5 | OA3 | sing | 1.44Å | 1.42Å | |
| CA5 | CA4 | sing | 1.54Å | 1.51Å | |
| OA2 | CA4 | sing | 1.43Å | 1.42Å | |
| OA3 | CA2 | sing | 1.45Å | 1.43Å | |
| CA4 | CA3 | sing | 1.54Å | 1.52Å | |
| CA2 | CA3 | sing | 1.55Å | 1.52Å | |
| CA2 | CA1 | sing | 1.53Å | 1.52Å | |
| CA3 | OA1 | sing | 1.43Å | 1.44Å | |
| CA1 | O10 | sing | 1.43Å | 1.42Å | |
| O10 | P2 | sing | 1.61Å | 1.61Å | |
| O9 | P2 | doub | 1.48Å | 1.49Å | |
| O6 | P1 | doub | 1.48Å | 1.60Å | |
| O7 | P2 | sing | 1.61Å | 1.62Å | |
| O7 | P1 | sing | 1.61Å | 1.59Å | |
| P2 | O8 | sing | 1.61Å | 1.60Å | |
| O5 | P1 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.61Å | |
| O4 | C5 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.51Å | |
| OI1 | CI | doub | 1.21Å | 1.23Å | |
| C4 | O3 | sing | 1.44Å | 1.44Å | |
| C2 | C1 | sing | 1.57Å | 1.52Å | |
| C2 | O1 | sing | 1.42Å | 1.43Å | |
| O3 | C1 | sing | 1.44Å | 1.44Å | |
| CI | OI2 | sing | 1.34Å | 1.33Å | |
| CI | CT | sing | 1.51Å | 1.51Å | |
| C1 | SX | sing | 1.84Å | 1.76Å | |
| O1 | CX | sing | 1.43Å | 1.43Å | |
| CT | CY | sing | 1.53Å | 1.52Å | |
| CY | CX | sing | 1.53Å | 1.55Å | |
| CX | SX | sing | 1.84Å | 1.79Å | |
| CX | O | sing | 1.43Å | 1.46Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CY | H2 | sing | 1.09Å | 1.10Å | |
| CY | H3 | sing | 1.09Å | 1.10Å | |
| CT | H4 | sing | 1.09Å | 1.10Å | |
| CT | H5 | sing | 1.09Å | 1.10Å | |
| OI2 | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| O8 | H15 | sing | 0.97Å | 0.95Å | |
| CA1 | H16 | sing | 1.09Å | 1.10Å | |
| CA1 | H17 | sing | 1.09Å | 1.10Å | |
| CA2 | H18 | sing | 1.09Å | 1.10Å | |
| CA5 | H19 | sing | 1.09Å | 1.10Å | |
| CA4 | H20 | sing | 1.09Å | 1.10Å | |
| OA2 | H21 | sing | 0.97Å | 0.95Å | |
| CA3 | H22 | sing | 1.09Å | 1.10Å | |
| OA1 | H23 | sing | 0.97Å | 0.95Å | |
| C8A | H24 | sing | 1.08Å | 1.08Å | |
| C2A | H25 | sing | 1.08Å | 1.08Å | |
| N6A | H26 | sing | 0.97Å | 1.00Å | |
| N6A | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6A | C6A | N1A | 122.5° | 120.8° |
| N6A | C6A | C5M | 120.2° | 120.7° |
| C6A | N6A | H26 | 109.5° | 120.0° |
| C6A | N6A | H27 | 109.5° | 120.0° |
| C6A | N1A | C2A | 123.6° | 121.1° |
| N1A | C6A | C5M | 117.3° | 118.5° |
| N1A | C2A | N3A | 122.6° | 122.5° |
| N1A | C2A | H25 | 118.7° | 118.8° |
| C6A | C5M | N7A | 136.0° | 134.7° |
| C6A | C5M | C4A | 116.2° | 118.1° |
| C2A | N3A | C4A | 119.2° | 120.6° |
| N3A | C2A | H25 | 118.7° | 118.7° |
| N7A | C5M | C4A | 107.8° | 107.2° |
| C5M | N7A | C8A | 107.0° | 109.4° |
| C5M | C4A | N3A | 121.2° | 119.1° |
| C5M | C4A | N9A | 105.1° | 105.9° |
| N3A | C4A | N9A | 133.7° | 134.9° |
| N7A | C8A | N9A | 110.0° | 110.0° |
| N7A | C8A | H24 | 125.0° | 125.0° |
| C4A | N9A | C8A | 110.0° | 107.4° |
| C4A | N9A | CA5 | 120.9° | 126.2° |
| C8A | N9A | CA5 | 128.9° | 126.3° |
| N9A | C8A | H24 | 125.0° | 125.0° |
| N9A | CA5 | OA3 | 102.7° | 110.3° |
| N9A | CA5 | CA4 | 117.4° | 110.4° |
| N9A | CA5 | H19 | 110.8° | 110.4° |
| OA3 | CA5 | CA4 | 103.6° | 104.9° |
| CA5 | OA3 | CA2 | 109.7° | 105.2° |
| OA3 | CA5 | H19 | 111.5° | 110.3° |
| CA5 | CA4 | OA2 | 107.5° | 110.5° |
| CA5 | CA4 | CA3 | 101.7° | 104.1° |
| CA4 | CA5 | H19 | 110.3° | 110.4° |
| CA5 | CA4 | H20 | 110.6° | 110.5° |
| OA2 | CA4 | CA3 | 114.3° | 110.5° |
| OA2 | CA4 | H20 | 111.8° | 110.5° |
| CA4 | OA2 | H21 | 109.5° | 114.1° |
| OA3 | CA2 | CA3 | 106.0° | 104.8° |
| OA3 | CA2 | CA1 | 108.1° | 110.3° |
| OA3 | CA2 | H18 | 110.5° | 110.5° |
| CA4 | CA3 | CA2 | 103.7° | 104.1° |
| CA4 | CA3 | OA1 | 111.9° | 110.5° |
| CA3 | CA4 | H20 | 110.3° | 110.5° |
| CA4 | CA3 | H22 | 111.1° | 110.6° |
| CA3 | CA2 | CA1 | 114.1° | 110.4° |
| CA2 | CA3 | OA1 | 106.4° | 110.4° |
| CA3 | CA2 | H18 | 109.0° | 110.4° |
| CA2 | CA3 | H22 | 111.1° | 110.5° |
| CA2 | CA1 | O10 | 106.8° | 109.4° |
| CA2 | CA1 | H16 | 110.1° | 109.5° |
| CA2 | CA1 | H17 | 110.1° | 109.4° |
| CA1 | CA2 | H18 | 109.1° | 110.4° |
| OA1 | CA3 | H22 | 112.3° | 110.6° |
| CA3 | OA1 | H23 | 109.5° | 113.9° |
| CA1 | O10 | P2 | 118.9° | 123.0° |
| O10 | CA1 | H16 | 110.2° | 109.5° |
| O10 | CA1 | H17 | 110.2° | 109.5° |
| O10 | P2 | O9 | 113.8° | 109.5° |
| O10 | P2 | O7 | 100.1° | 109.5° |
| O10 | P2 | O8 | 106.7° | 109.4° |
| O9 | P2 | O7 | 104.5° | 109.5° |
| O9 | P2 | O8 | 118.7° | 109.4° |
| O6 | P1 | O7 | 107.5° | 109.5° |
| O6 | P1 | O5 | 111.7° | 109.5° |
| O6 | P1 | O4 | 111.3° | 109.5° |
| P2 | O7 | P1 | 129.9° | 134.0° |
| O7 | P2 | O8 | 111.4° | 109.5° |
| O7 | P1 | O5 | 110.9° | 109.5° |
| O7 | P1 | O4 | 103.5° | 109.5° |
| P2 | O8 | H15 | 109.5° | 114.0° |
| O5 | P1 | O4 | 111.6° | 109.5° |
| P1 | O5 | H14 | 109.5° | 114.0° |
| P1 | O4 | C5 | 118.7° | 123.0° |
| O4 | C5 | C4 | 107.6° | 109.5° |
| O4 | C5 | H12 | 110.0° | 109.5° |
| O4 | C5 | H13 | 109.9° | 109.5° |
| O2 | C3 | C4 | 111.9° | 110.4° |
| O2 | C3 | C2 | 109.8° | 110.5° |
| O2 | C3 | H9 | 112.2° | 110.5° |
| C3 | O2 | H10 | 109.5° | 114.0° |
| C5 | C4 | C3 | 112.0° | 109.9° |
| C5 | C4 | O3 | 111.8° | 109.8° |
| C5 | C4 | H11 | 109.0° | 110.0° |
| C4 | C5 | H12 | 109.9° | 109.5° |
| C4 | C5 | H13 | 109.9° | 109.5° |
| C4 | C3 | C2 | 100.6° | 104.5° |
| C3 | C4 | O3 | 104.7° | 107.3° |
| C4 | C3 | H9 | 110.9° | 110.4° |
| C3 | C4 | H11 | 109.1° | 109.9° |
| C3 | C2 | C1 | 103.5° | 101.5° |
| C3 | C2 | O1 | 107.9° | 108.8° |
| C3 | C2 | H7 | 112.1° | 112.3° |
| C2 | C3 | H9 | 110.9° | 110.5° |
| OI1 | CI | OI2 | 120.1° | 119.9° |
| OI1 | CI | CT | 121.5° | 120.0° |
| C4 | O3 | C1 | 110.2° | 107.1° |
| O3 | C4 | H11 | 110.2° | 109.9° |
| C1 | C2 | O1 | 107.6° | 110.5° |
| C2 | C1 | O3 | 104.9° | 103.4° |
| C2 | C1 | SX | 104.5° | 100.1° |
| C1 | C2 | H7 | 111.8° | 111.7° |
| C2 | C1 | H8 | 112.8° | 114.3° |
| C2 | O1 | CX | 109.4° | 117.7° |
| O1 | C2 | H7 | 113.4° | 111.5° |
| O3 | C1 | SX | 110.5° | 109.1° |
| O3 | C1 | H8 | 114.2° | 114.6° |
| OI2 | CI | CT | 118.4° | 120.0° |
| CI | OI2 | H6 | 109.5° | 117.0° |
| CI | CT | CY | 107.2° | 109.5° |
| CI | CT | H4 | 110.0° | 109.4° |
| CI | CT | H5 | 110.0° | 109.5° |
| C1 | SX | CX | 95.3° | 94.8° |
| SX | C1 | H8 | 109.5° | 113.9° |
| O1 | CX | CY | 111.1° | 110.4° |
| O1 | CX | SX | 103.3° | 104.9° |
| O1 | CX | O | 108.1° | 110.4° |
| CT | CY | CX | 113.1° | 109.5° |
| CT | CY | H2 | 108.6° | 109.5° |
| CT | CY | H3 | 108.6° | 109.5° |
| CY | CT | H4 | 110.0° | 109.5° |
| CY | CT | H5 | 110.0° | 109.5° |
| CY | CX | SX | 107.9° | 110.3° |
| CY | CX | O | 109.8° | 110.3° |
| CX | CY | H2 | 108.5° | 109.4° |
| CX | CY | H3 | 108.6° | 109.5° |
| SX | CX | O | 116.6° | 110.3° |
| CX | O | H1 | 109.5° | 114.0° |
| H2 | CY | H3 | 109.5° | 109.5° |
| H4 | CT | H5 | 109.5° | 109.5° |
| H12 | C5 | H13 | 109.5° | 109.4° |
| H16 | CA1 | H17 | 109.4° | 109.5° |
| H26 | N6A | H27 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6A | C6A | N1A | C5M | 179.8° | 179.5° |
| N6A | C6A | N1A | C2A | 180.0° | 180.0° |
| N6A | C6A | C5M | N7A | 0.5° | 0.3° |
| N6A | C6A | C5M | C4A | 179.6° | 180.0° |
| C6A | N6A | H26 | H27 | 120.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.3° | 0.1° |
| N1A | C6A | C5M | N7A | 179.7° | 179.8° |
| N1A | C6A | C5M | C4A | 0.1° | 0.5° |
| C6A | N1A | C2A | H25 | 179.7° | 179.7° |
| N1A | C6A | N6A | H26 | 0.0° | 0.0° |
| N1A | C6A | N6A | H27 | 120.0° | 180.0° |
| C2A | N1A | C6A | C5M | 0.3° | 0.5° |
| N1A | C2A | N3A | H25 | 180.0° | 179.8° |
| N1A | C2A | N3A | C4A | 0.0° | 0.2° |
| C6A | C5M | N7A | C4A | 179.8° | 179.7° |
| C6A | C5M | C4A | N3A | 0.5° | 0.2° |
| C6A | C5M | N7A | C8A | 179.9° | 180.0° |
| C6A | C5M | C4A | N9A | 179.1° | 179.8° |
| C5M | C6A | N6A | H26 | 179.8° | 179.5° |
| C5M | C6A | N6A | H27 | 59.8° | 0.5° |
| C2A | N3A | C4A | C5M | 0.4° | 0.1° |
| C2A | N3A | C4A | N9A | 178.6° | 179.9° |
| N7A | C5M | C4A | N3A | 179.4° | 180.0° |
| N7A | C5M | C4A | N9A | 0.8° | 0.0° |
| C5M | N7A | C8A | N9A | 1.2° | 0.4° |
| C5M | N7A | C8A | H24 | 178.7° | 180.0° |
| C5M | C4A | N3A | N9A | 178.1° | 179.9° |
| C4A | C5M | N7A | C8A | 0.3° | 0.3° |
| C5M | C4A | N9A | C8A | 1.6° | 0.2° |
| C5M | C4A | N9A | CA5 | 177.4° | 180.0° |
| N3A | C4A | N9A | C8A | 179.9° | 179.7° |
| N3A | C4A | N9A | CA5 | 4.2° | 0.1° |
| C4A | N3A | C2A | H25 | 179.9° | 180.0° |
| N7A | C8A | N9A | C4A | 1.8° | 0.4° |
| N7A | C8A | N9A | H24 | 180.0° | 179.6° |
| N7A | C8A | N9A | CA5 | 177.3° | 179.8° |
| C4A | N9A | C8A | CA5 | 175.4° | 179.8° |
| C4A | N9A | CA5 | OA3 | 96.9° | 156.4° |
| C4A | N9A | CA5 | CA4 | 150.3° | 88.1° |
| C4A | N9A | CA5 | H19 | 22.3° | 34.2° |
| C4A | N9A | C8A | H24 | 178.2° | 180.0° |
| C8A | N9A | CA5 | OA3 | 78.2° | 23.3° |
| C8A | N9A | CA5 | CA4 | 34.7° | 92.1° |
| C8A | N9A | CA5 | H19 | 162.6° | 145.5° |
| N9A | CA5 | OA3 | CA4 | 122.7° | 118.9° |
| N9A | CA5 | OA3 | H19 | 118.7° | 122.3° |
| N9A | CA5 | CA4 | H19 | 128.2° | 122.4° |
| N9A | CA5 | CA4 | OA2 | 88.2° | 98.5° |
| N9A | CA5 | OA3 | CA2 | 156.0° | 159.4° |
| N9A | CA5 | CA4 | CA3 | 151.4° | 142.8° |
| N9A | CA5 | CA4 | H20 | 34.2° | 24.1° |
| CA5 | N9A | C8A | H24 | 2.7° | 0.2° |
| OA3 | CA5 | CA4 | H19 | 119.5° | 118.8° |
| OA3 | CA5 | CA4 | OA2 | 159.5° | 142.6° |
| OA3 | CA5 | CA4 | CA3 | 39.1° | 23.9° |
| CA5 | OA3 | CA2 | CA3 | 13.0° | 40.5° |
| CA5 | OA3 | CA2 | CA1 | 135.7° | 159.3° |
| CA5 | OA3 | CA2 | H18 | 105.0° | 78.4° |
| OA3 | CA5 | CA4 | H20 | 78.1° | 94.7° |
| CA5 | CA4 | OA2 | CA3 | 112.1° | 114.7° |
| CA5 | CA4 | OA2 | H20 | 121.6° | 122.7° |
| CA4 | CA5 | OA3 | CA2 | 33.3° | 40.5° |
| CA5 | CA4 | CA3 | H20 | 117.4° | 118.7° |
| CA5 | CA4 | CA3 | CA2 | 30.9° | 0.1° |
| CA5 | CA4 | CA3 | OA1 | 83.4° | 118.6° |
| CA5 | CA4 | OA2 | H21 | 180.0° | 180.0° |
| CA5 | CA4 | CA3 | H22 | 150.2° | 118.6° |
| OA2 | CA4 | CA3 | H20 | 127.1° | 122.6° |
| OA2 | CA4 | CA3 | CA2 | 146.3° | 118.7° |
| OA2 | CA4 | CA3 | OA1 | 32.0° | 0.1° |
| OA2 | CA4 | CA5 | H19 | 40.0° | 23.8° |
| OA2 | CA4 | CA3 | H22 | 94.3° | 122.7° |
| OA3 | CA2 | CA3 | CA4 | 12.2° | 24.0° |
| OA3 | CA2 | CA3 | CA1 | 118.8° | 118.8° |
| OA3 | CA2 | CA3 | H18 | 118.9° | 118.9° |
| OA3 | CA2 | CA1 | H18 | 120.2° | 122.4° |
| OA3 | CA2 | CA3 | OA1 | 106.0° | 142.6° |
| OA3 | CA2 | CA1 | O10 | 179.7° | 69.6° |
| OA3 | CA2 | CA1 | H16 | 60.7° | 50.4° |
| OA3 | CA2 | CA1 | H17 | 60.1° | 170.4° |
| CA2 | OA3 | CA5 | H19 | 85.3° | 78.4° |
| OA3 | CA2 | CA3 | H22 | 131.5° | 94.7° |
| CA4 | CA3 | CA2 | OA1 | 118.1° | 118.6° |
| CA4 | CA3 | CA2 | H22 | 119.4° | 118.7° |
| CA4 | CA3 | CA2 | CA1 | 106.6° | 142.8° |
| CA4 | CA3 | OA1 | H22 | 125.7° | 122.8° |
| CA4 | CA3 | CA2 | H18 | 131.1° | 94.9° |
| CA3 | CA4 | CA5 | H19 | 80.4° | 94.8° |
| CA3 | CA4 | OA2 | H21 | 68.0° | 65.3° |
| CA4 | CA3 | OA1 | H23 | 180.0° | 65.4° |
| CA3 | CA2 | CA1 | H18 | 122.2° | 122.3° |
| CA2 | CA3 | OA1 | H22 | 121.7° | 122.6° |
| CA3 | CA2 | CA1 | O10 | 62.7° | 175.0° |
| CA3 | CA2 | CA1 | H16 | 56.9° | 65.0° |
| CA3 | CA2 | CA1 | H17 | 177.7° | 55.1° |
| CA2 | CA3 | CA4 | H20 | 86.6° | 118.7° |
| CA2 | CA3 | OA1 | H23 | 67.4° | 180.0° |
| CA1 | CA2 | CA3 | OA1 | 135.3° | 98.6° |
| CA2 | CA1 | O10 | H16 | 119.6° | 120.0° |
| CA2 | CA1 | O10 | H17 | 119.6° | 119.9° |
| CA2 | CA1 | O10 | P2 | 176.3° | 180.0° |
| CA2 | CA1 | H16 | H17 | 121.2° | 120.0° |
| CA1 | CA2 | CA3 | H22 | 12.7° | 24.1° |
| OA1 | CA3 | CA2 | H18 | 13.0° | 23.7° |
| OA1 | CA3 | CA4 | H20 | 159.1° | 122.7° |
| CA1 | O10 | P2 | O9 | 41.8° | 54.9° |
| CA1 | O10 | P2 | O7 | 69.2° | 175.0° |
| CA1 | O10 | P2 | O8 | 174.7° | 65.0° |
| O10 | CA1 | H16 | H17 | 121.2° | 120.0° |
| O10 | CA1 | CA2 | H18 | 59.5° | 52.7° |
| O10 | P2 | O9 | O7 | 108.2° | 120.1° |
| O10 | P2 | O9 | O8 | 126.9° | 119.9° |
| O10 | P2 | O7 | O8 | 112.5° | 120.0° |
| O10 | P2 | O7 | P1 | 85.3° | 160.0° |
| O10 | P2 | O8 | H15 | 130.2° | 60.0° |
| P2 | O10 | CA1 | H16 | 64.1° | 60.0° |
| P2 | O10 | CA1 | H17 | 56.7° | 60.1° |
| O9 | P2 | O7 | O8 | 129.4° | 120.0° |
| O9 | P2 | O7 | P1 | 156.7° | 40.0° |
| O9 | P2 | O8 | H15 | 0.0° | 180.0° |
| O6 | P1 | O7 | P2 | 166.8° | 40.0° |
| O6 | P1 | O7 | O5 | 122.3° | 120.0° |
| O6 | P1 | O7 | O4 | 117.9° | 120.0° |
| O6 | P1 | O5 | O4 | 125.4° | 120.0° |
| O6 | P1 | O4 | C5 | 59.8° | 55.0° |
| O6 | P1 | O5 | H14 | 0.0° | 180.0° |
| P2 | O7 | P1 | O5 | 44.5° | 80.0° |
| P2 | O7 | P1 | O4 | 75.3° | 160.0° |
| O7 | P2 | O8 | H15 | 121.5° | 60.0° |
| P1 | O7 | P2 | O8 | 27.2° | 80.0° |
| O7 | P1 | O5 | O4 | 114.8° | 120.0° |
| O7 | P1 | O4 | C5 | 175.0° | 175.0° |
| O7 | P1 | O5 | H14 | 119.9° | 60.0° |
| O5 | P1 | O4 | C5 | 65.7° | 65.0° |
| P1 | O4 | C5 | C4 | 144.3° | 180.0° |
| P1 | O4 | C5 | H12 | 24.6° | 59.9° |
| P1 | O4 | C5 | H13 | 96.0° | 60.0° |
| O4 | P1 | O5 | H14 | 125.4° | 60.0° |
| O4 | C5 | C4 | H12 | 119.7° | 120.0° |
| O4 | C5 | C4 | H13 | 119.7° | 120.0° |
| O4 | C5 | C4 | C3 | 65.2° | 175.0° |
| O4 | C5 | C4 | O3 | 51.9° | 67.1° |
| O4 | C5 | C4 | H11 | 174.0° | 53.9° |
| O4 | C5 | H12 | H13 | 120.9° | 120.0° |
| O2 | C3 | C4 | C5 | 84.8° | 123.6° |
| O2 | C3 | C4 | C2 | 116.5° | 118.8° |
| O2 | C3 | C4 | H9 | 126.1° | 122.5° |
| O2 | C3 | C2 | H9 | 124.5° | 122.5° |
| O2 | C3 | C4 | O3 | 153.9° | 117.1° |
| O2 | C3 | C2 | C1 | 156.3° | 139.8° |
| O2 | C3 | C2 | O1 | 42.5° | 23.2° |
| O2 | C3 | C2 | H7 | 83.0° | 100.8° |
| O2 | C3 | C4 | H11 | 36.0° | 2.4° |
| C5 | C4 | C3 | O3 | 121.3° | 119.4° |
| C5 | C4 | C3 | H11 | 120.8° | 121.2° |
| C5 | C4 | C3 | C2 | 158.7° | 117.7° |
| C5 | C4 | O3 | H11 | 121.4° | 121.1° |
| C5 | C4 | O3 | C1 | 144.0° | 92.8° |
| C5 | C4 | C3 | H9 | 41.2° | 1.1° |
| C4 | C5 | H12 | H13 | 120.9° | 120.0° |
| C4 | C3 | C2 | H9 | 117.4° | 118.8° |
| C3 | C4 | O3 | H11 | 117.2° | 119.5° |
| C4 | C3 | C2 | C1 | 38.2° | 21.1° |
| C4 | C3 | C2 | O1 | 75.6° | 95.5° |
| C3 | C4 | O3 | C1 | 22.6° | 26.6° |
| C4 | C3 | C2 | H7 | 158.9° | 140.5° |
| C4 | C3 | O2 | H10 | 180.0° | 61.4° |
| C3 | C4 | C5 | H12 | 54.6° | 55.0° |
| C3 | C4 | C5 | H13 | 175.2° | 64.9° |
| C2 | C3 | C4 | O3 | 37.4° | 1.7° |
| C3 | C2 | C1 | O1 | 114.1° | 115.3° |
| C3 | C2 | C1 | H7 | 120.8° | 119.9° |
| C3 | C2 | O1 | H7 | 124.7° | 124.4° |
| C3 | C2 | C1 | O3 | 25.8° | 37.2° |
| C3 | C2 | C1 | SX | 142.1° | 149.8° |
| C3 | C2 | O1 | CX | 159.2° | 135.5° |
| C3 | C2 | C1 | H8 | 99.1° | 88.0° |
| C2 | C3 | O2 | H10 | 69.2° | 176.5° |
| C2 | C3 | C4 | H11 | 80.5° | 121.2° |
| OI1 | CI | OI2 | CT | 179.6° | 180.0° |
| OI1 | CI | CT | CY | 104.6° | 0.1° |
| OI1 | CI | CT | H4 | 135.7° | 120.0° |
| OI1 | CI | CT | H5 | 15.1° | 120.0° |
| OI1 | CI | OI2 | H6 | 0.0° | 0.0° |
| C4 | O3 | C1 | C2 | 2.1° | 40.2° |
| C4 | O3 | C1 | SX | 114.1° | 146.1° |
| C4 | O3 | C1 | H8 | 121.9° | 84.8° |
| O3 | C4 | C3 | H9 | 80.0° | 120.5° |
| O3 | C4 | C5 | H12 | 171.6° | 172.8° |
| O3 | C4 | C5 | H13 | 67.8° | 52.9° |
| C1 | C2 | O1 | H7 | 124.2° | 124.9° |
| C2 | C1 | O3 | SX | 112.0° | 105.9° |
| C2 | C1 | O3 | H8 | 124.0° | 125.0° |
| C2 | C1 | SX | H8 | 121.0° | 122.4° |
| C1 | C2 | O1 | CX | 48.0° | 24.8° |
| C2 | C1 | SX | CX | 3.2° | 29.3° |
| C1 | C2 | C3 | H9 | 79.2° | 97.7° |
| O1 | C2 | C1 | O3 | 88.2° | 78.0° |
| O1 | C2 | C1 | SX | 28.0° | 34.5° |
| C2 | O1 | CX | CY | 72.1° | 117.9° |
| C2 | O1 | CX | SX | 43.3° | 1.0° |
| C2 | O1 | CX | O | 167.3° | 119.9° |
| O1 | C2 | C1 | H8 | 146.9° | 156.7° |
| O1 | C2 | C3 | H9 | 167.0° | 145.7° |
| O3 | C1 | SX | H8 | 126.7° | 129.5° |
| O3 | C1 | SX | CX | 109.1° | 78.8° |
| O3 | C1 | C2 | H7 | 146.7° | 157.1° |
| C1 | O3 | C4 | H11 | 94.6° | 146.1° |
| OI2 | CI | CT | CY | 75.0° | 180.0° |
| OI2 | CI | CT | H4 | 44.6° | 60.0° |
| OI2 | CI | CT | H5 | 165.3° | 60.0° |
| CI | CT | CY | H4 | 119.7° | 119.9° |
| CI | CT | CY | H5 | 119.7° | 120.0° |
| CI | CT | CY | CX | 145.0° | 180.0° |
| CI | CT | CY | H2 | 24.5° | 60.1° |
| CI | CT | CY | H3 | 94.4° | 60.0° |
| CI | CT | H4 | H5 | 121.0° | 120.0° |
| CT | CI | OI2 | H6 | 179.6° | 180.0° |
| C1 | SX | CX | O1 | 22.0° | 18.2° |
| C1 | SX | CX | CY | 95.7° | 137.2° |
| C1 | SX | CX | O | 140.3° | 100.7° |
| SX | C1 | C2 | H7 | 97.1° | 90.3° |
| O1 | CX | CY | CT | 49.4° | 177.0° |
| O1 | CX | CY | SX | 112.5° | 115.6° |
| O1 | CX | CY | O | 119.5° | 122.3° |
| O1 | CX | SX | O | 118.3° | 118.9° |
| O1 | CX | O | H1 | 180.0° | 56.2° |
| O1 | CX | CY | H2 | 71.1° | 57.0° |
| O1 | CX | CY | H3 | 170.0° | 63.0° |
| CX | O1 | C2 | H7 | 76.1° | 100.1° |
| CT | CY | CX | H2 | 120.5° | 120.0° |
| CT | CY | CX | H3 | 120.6° | 120.0° |
| CT | CY | CX | SX | 161.9° | 61.4° |
| CT | CY | CX | O | 70.1° | 60.7° |
| CT | CY | H2 | H3 | 118.3° | 120.0° |
| CY | CT | H4 | H5 | 121.0° | 120.0° |
| CY | CX | SX | O | 124.0° | 122.1° |
| CY | CX | O | H1 | 58.7° | 178.5° |
| CX | CY | H2 | H3 | 118.3° | 120.0° |
| CX | CY | CT | H4 | 95.3° | 60.1° |
| CX | CY | CT | H5 | 25.4° | 60.0° |
| SX | CX | O | H1 | 64.3° | 59.4° |
| SX | CX | CY | H2 | 41.4° | 58.5° |
| SX | CX | CY | H3 | 77.5° | 178.6° |
| CX | SX | C1 | H8 | 124.2° | 151.8° |
| O | CX | CY | H2 | 169.4° | 179.3° |
| O | CX | CY | H3 | 50.5° | 59.3° |
| H2 | CY | CT | H4 | 144.2° | 180.0° |
| H2 | CY | CT | H5 | 95.2° | 60.0° |
| H3 | CY | CT | H4 | 25.2° | 60.0° |
| H3 | CY | CT | H5 | 145.9° | NaN° |
| H7 | C2 | C1 | H8 | 21.8° | 31.9° |
| H7 | C2 | C3 | H9 | 41.5° | 21.8° |
| H9 | C3 | O2 | H10 | 54.6° | 61.0° |
| H9 | C3 | C4 | H11 | 162.1° | 120.0° |
| H11 | C4 | C5 | H12 | 66.3° | 66.1° |
| H11 | C4 | C5 | H13 | 54.3° | 173.9° |
| H16 | CA1 | CA2 | H18 | 179.1° | 172.7° |
| H17 | CA1 | CA2 | H18 | 60.1° | 67.2° |
| H18 | CA2 | CA3 | H22 | 109.6° | 146.4° |
| H19 | CA5 | CA4 | H20 | 162.4° | 146.5° |
| H20 | CA4 | OA2 | H21 | 58.3° | 57.3° |
| H20 | CA4 | CA3 | H22 | 32.8° | 0.0° |
| H22 | CA3 | OA1 | H23 | 54.4° | 57.4° |
