IJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | SAN | doub | 1.42Å | 1.53Å | |
| OAB | SAN | doub | 1.42Å | 1.47Å | |
| SAN | OAC | sing | 1.52Å | 1.45Å | |
| SAN | CAJ | sing | 1.81Å | 1.76Å | |
| CAJ | CAG | sing | 1.53Å | 1.54Å | |
| CAG | NAL | sing | 1.47Å | 1.48Å | |
| NAL | CAK | sing | 1.47Å | 1.44Å | |
| CAK | CAM | sing | 1.53Å | 1.51Å | |
| CAM | CAI | sing | 1.53Å | 1.50Å | |
| CAM | CAH | sing | 1.53Å | 1.50Å | |
| CAI | CAF | sing | 1.53Å | 1.50Å | |
| CAH | CAE | sing | 1.53Å | 1.50Å | |
| CAE | CAD | sing | 1.53Å | 1.49Å | |
| CAF | CAD | sing | 1.53Å | 1.50Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| NAL | H14 | sing | 1.01Å | 1.00Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| CAG | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| OAC | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAN | OAB | 110.7° | 121.0° |
| OAA | SAN | OAC | 108.6° | 104.3° |
| OAA | SAN | CAJ | 111.4° | 110.5° |
| OAB | SAN | OAC | 110.0° | 104.3° |
| OAB | SAN | CAJ | 108.2° | 110.6° |
| OAC | SAN | CAJ | 107.9° | 104.5° |
| SAN | OAC | H15 | 109.5° | 114.0° |
| SAN | CAJ | CAG | 115.0° | 109.5° |
| SAN | CAJ | H18 | 108.1° | 109.5° |
| SAN | CAJ | H19 | 108.1° | 109.4° |
| CAJ | CAG | NAL | 116.0° | 109.4° |
| CAJ | CAG | H16 | 107.8° | 109.4° |
| CAJ | CAG | H17 | 107.8° | 109.4° |
| CAG | CAJ | H18 | 108.1° | 109.5° |
| CAG | CAJ | H19 | 108.1° | 109.5° |
| CAG | NAL | CAK | 109.9° | 111.0° |
| CAG | NAL | H14 | 109.4° | 111.0° |
| NAL | CAG | H16 | 107.8° | 109.5° |
| NAL | CAG | H17 | 107.8° | 109.5° |
| NAL | CAK | CAM | 114.5° | 109.4° |
| NAL | CAK | H12 | 108.2° | 109.5° |
| NAL | CAK | H13 | 108.2° | 109.5° |
| CAK | NAL | H14 | 109.3° | 111.0° |
| CAK | CAM | CAI | 111.6° | 109.4° |
| CAK | CAM | CAH | 109.1° | 109.5° |
| CAK | CAM | H11 | 107.4° | 109.5° |
| CAM | CAK | H12 | 108.2° | 109.5° |
| CAM | CAK | H13 | 108.2° | 109.5° |
| CAI | CAM | CAH | 113.6° | 109.5° |
| CAM | CAI | CAF | 113.2° | 109.4° |
| CAM | CAI | H9 | 108.5° | 109.5° |
| CAM | CAI | H10 | 108.5° | 109.4° |
| CAI | CAM | H11 | 107.5° | 109.5° |
| CAM | CAH | CAE | 112.7° | 109.5° |
| CAM | CAH | H1 | 108.7° | 109.5° |
| CAM | CAH | H2 | 108.7° | 109.5° |
| CAH | CAM | H11 | 107.4° | 109.5° |
| CAI | CAF | CAD | 111.5° | 109.5° |
| CAI | CAF | H7 | 108.9° | 109.4° |
| CAI | CAF | H8 | 109.0° | 109.5° |
| CAF | CAI | H9 | 108.5° | 109.5° |
| CAF | CAI | H10 | 108.5° | 109.5° |
| CAH | CAE | CAD | 113.9° | 109.4° |
| CAE | CAH | H1 | 108.7° | 109.4° |
| CAE | CAH | H2 | 108.6° | 109.5° |
| CAH | CAE | H3 | 108.4° | 109.5° |
| CAH | CAE | H4 | 108.4° | 109.5° |
| CAE | CAD | CAF | 111.9° | 109.5° |
| CAD | CAE | H3 | 108.3° | 109.5° |
| CAD | CAE | H4 | 108.4° | 109.5° |
| CAE | CAD | H5 | 108.9° | 109.4° |
| CAE | CAD | H6 | 108.9° | 109.5° |
| CAF | CAD | H5 | 108.9° | 109.5° |
| CAF | CAD | H6 | 108.9° | 109.5° |
| CAD | CAF | H7 | 109.0° | 109.5° |
| CAD | CAF | H8 | 109.0° | 109.5° |
| H1 | CAH | H2 | 109.5° | 109.4° |
| H3 | CAE | H4 | 109.5° | 109.5° |
| H5 | CAD | H6 | 109.5° | 109.4° |
| H7 | CAF | H8 | 109.4° | 109.4° |
| H9 | CAI | H10 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.5° | 109.5° |
| H16 | CAG | H17 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAN | OAB | OAC | 120.0° | 116.7° |
| OAA | SAN | OAB | CAJ | 122.3° | 131.5° |
| OAA | SAN | OAC | CAJ | 120.9° | 116.0° |
| OAA | SAN | CAJ | CAG | 50.2° | 68.4° |
| OAA | SAN | CAJ | H18 | 171.0° | 51.7° |
| OAA | SAN | CAJ | H19 | 70.6° | 171.6° |
| OAA | SAN | OAC | H15 | 121.3° | 64.0° |
| OAB | SAN | OAC | CAJ | 117.8° | 116.1° |
| OAB | SAN | CAJ | CAG | 172.1° | 68.3° |
| OAB | SAN | CAJ | H18 | 67.1° | 171.6° |
| OAB | SAN | CAJ | H19 | 51.3° | 51.6° |
| OAB | SAN | OAC | H15 | 0.0° | 63.8° |
| OAC | SAN | CAJ | CAG | 68.9° | 180.0° |
| OAC | SAN | CAJ | H18 | 51.9° | 59.9° |
| OAC | SAN | CAJ | H19 | 170.3° | 60.0° |
| SAN | CAJ | CAG | H18 | 120.8° | 120.1° |
| SAN | CAJ | CAG | H19 | 120.8° | 120.0° |
| SAN | CAJ | CAG | NAL | 158.3° | 180.0° |
| SAN | CAJ | CAG | H16 | 80.7° | 60.0° |
| SAN | CAJ | CAG | H17 | 37.4° | 60.0° |
| SAN | CAJ | H18 | H19 | 117.5° | 120.0° |
| CAJ | SAN | OAC | H15 | 117.8° | 180.0° |
| CAJ | CAG | NAL | H16 | 120.9° | 120.0° |
| CAJ | CAG | NAL | H17 | 121.0° | 120.0° |
| CAJ | CAG | NAL | CAK | 176.7° | 180.0° |
| CAJ | CAG | NAL | H14 | 56.7° | 56.1° |
| CAJ | CAG | H16 | H17 | 117.0° | 119.9° |
| CAG | CAJ | H18 | H19 | 117.5° | 120.0° |
| CAG | NAL | CAK | H14 | 120.1° | 123.9° |
| CAG | NAL | CAK | CAM | 149.5° | 180.0° |
| CAG | NAL | CAK | H12 | 28.8° | 60.0° |
| CAG | NAL | CAK | H13 | 89.8° | 60.0° |
| NAL | CAG | H16 | H17 | 117.0° | 120.1° |
| NAL | CAG | CAJ | H18 | 37.5° | 60.0° |
| NAL | CAG | CAJ | H19 | 80.9° | 60.0° |
| NAL | CAK | CAM | H12 | 120.8° | 120.0° |
| NAL | CAK | CAM | H13 | 120.7° | 120.0° |
| NAL | CAK | CAM | CAI | 165.2° | 175.0° |
| NAL | CAK | CAM | CAH | 38.9° | 65.0° |
| NAL | CAK | CAM | H11 | 77.3° | 55.0° |
| NAL | CAK | H12 | H13 | 117.7° | 120.0° |
| CAK | NAL | CAG | H16 | 62.3° | 60.0° |
| CAK | NAL | CAG | H17 | 55.8° | 60.0° |
| CAK | CAM | CAI | CAH | 123.8° | 120.0° |
| CAK | CAM | CAI | H11 | 117.5° | 120.0° |
| CAK | CAM | CAH | H11 | 116.1° | 120.0° |
| CAK | CAM | CAI | CAF | 143.2° | 180.0° |
| CAK | CAM | CAH | CAE | 179.9° | 180.0° |
| CAK | CAM | CAH | H1 | 59.6° | 60.0° |
| CAK | CAM | CAH | H2 | 59.4° | 60.0° |
| CAK | CAM | CAI | H9 | 96.2° | 60.0° |
| CAK | CAM | CAI | H10 | 22.7° | 60.0° |
| CAM | CAK | H12 | H13 | 117.7° | 120.0° |
| CAM | CAK | NAL | H14 | 90.4° | 56.1° |
| CAI | CAM | CAH | H11 | 118.7° | 120.0° |
| CAM | CAI | CAF | H9 | 120.5° | 120.0° |
| CAM | CAI | CAF | H10 | 120.5° | 120.0° |
| CAI | CAM | CAH | CAE | 55.0° | 60.0° |
| CAM | CAI | CAF | CAD | 37.3° | 60.0° |
| CAI | CAM | CAH | H1 | 65.5° | 180.0° |
| CAI | CAM | CAH | H2 | 175.5° | 60.0° |
| CAM | CAI | CAF | H7 | 157.6° | 180.0° |
| CAM | CAI | CAF | H8 | 83.0° | 60.0° |
| CAM | CAI | H9 | H10 | 118.3° | 120.0° |
| CAI | CAM | CAK | H12 | 74.0° | 65.0° |
| CAI | CAM | CAK | H13 | 44.5° | 55.0° |
| CAH | CAM | CAI | CAF | 19.4° | 60.0° |
| CAM | CAH | CAE | H1 | 120.5° | 120.0° |
| CAM | CAH | CAE | H2 | 120.5° | 120.1° |
| CAM | CAH | CAE | CAD | 30.5° | 60.0° |
| CAM | CAH | H1 | H2 | 118.5° | 120.0° |
| CAM | CAH | CAE | H3 | 151.2° | 180.0° |
| CAM | CAH | CAE | H4 | 90.1° | 60.0° |
| CAH | CAM | CAI | H9 | 140.0° | 59.9° |
| CAH | CAM | CAI | H10 | 101.1° | 180.0° |
| CAH | CAM | CAK | H12 | 159.7° | 55.0° |
| CAH | CAM | CAK | H13 | 81.8° | 175.0° |
| CAI | CAF | CAD | CAE | 61.9° | 60.0° |
| CAI | CAF | CAD | H7 | 120.3° | 120.0° |
| CAI | CAF | CAD | H8 | 120.3° | 120.0° |
| CAI | CAF | CAD | H5 | 177.8° | 60.0° |
| CAI | CAF | CAD | H6 | 58.5° | 180.0° |
| CAI | CAF | H7 | H8 | 119.0° | 119.9° |
| CAF | CAI | H9 | H10 | 118.3° | 120.1° |
| CAF | CAI | CAM | H11 | 99.3° | 60.1° |
| CAH | CAE | CAD | H3 | 120.6° | 120.0° |
| CAH | CAE | CAD | H4 | 120.7° | 120.0° |
| CAH | CAE | CAD | CAF | 25.9° | 59.9° |
| CAE | CAH | H1 | H2 | 118.5° | 119.9° |
| CAH | CAE | H3 | H4 | 118.0° | 120.0° |
| CAH | CAE | CAD | H5 | 146.2° | 60.1° |
| CAH | CAE | CAD | H6 | 94.5° | 180.0° |
| CAE | CAH | CAM | H11 | 63.7° | 60.0° |
| CAE | CAD | CAF | H5 | 120.4° | 120.0° |
| CAE | CAD | CAF | H6 | 120.4° | 120.1° |
| CAD | CAE | CAH | H1 | 90.0° | 180.0° |
| CAD | CAE | CAH | H2 | 151.0° | 60.1° |
| CAD | CAE | H3 | H4 | 118.0° | 120.0° |
| CAE | CAD | H5 | H6 | 118.9° | 119.9° |
| CAE | CAD | CAF | H7 | 177.8° | 180.0° |
| CAE | CAD | CAF | H8 | 58.5° | 60.0° |
| CAF | CAD | CAE | H3 | 94.8° | 180.0° |
| CAF | CAD | CAE | H4 | 146.6° | 60.0° |
| CAF | CAD | H5 | H6 | 118.9° | 120.0° |
| CAD | CAF | H7 | H8 | 119.1° | 120.0° |
| CAD | CAF | CAI | H9 | 83.3° | 60.0° |
| CAD | CAF | CAI | H10 | 157.8° | 179.9° |
| H1 | CAH | CAE | H3 | 30.6° | 60.0° |
| H1 | CAH | CAE | H4 | 149.3° | 60.0° |
| H1 | CAH | CAM | H11 | 175.8° | 60.0° |
| H2 | CAH | CAE | H3 | 88.4° | 59.9° |
| H2 | CAH | CAE | H4 | 30.3° | 179.9° |
| H2 | CAH | CAM | H11 | 56.7° | 180.0° |
| H3 | CAE | CAD | H5 | 25.6° | 59.9° |
| H3 | CAE | CAD | H6 | 144.9° | 60.0° |
| H4 | CAE | CAD | H5 | 93.1° | 180.0° |
| H4 | CAE | CAD | H6 | 26.2° | 60.1° |
| H5 | CAD | CAF | H7 | 57.4° | 60.0° |
| H5 | CAD | CAF | H8 | 61.9° | NaN° |
| H6 | CAD | CAF | H7 | 61.8° | 59.9° |
| H6 | CAD | CAF | H8 | 178.8° | 60.0° |
| H7 | CAF | CAI | H9 | 37.1° | 60.1° |
| H7 | CAF | CAI | H10 | 81.9° | 60.0° |
| H8 | CAF | CAI | H9 | 156.4° | 180.0° |
| H8 | CAF | CAI | H10 | 37.5° | 59.9° |
| H9 | CAI | CAM | H11 | 21.3° | 180.0° |
| H10 | CAI | CAM | H11 | 140.2° | 59.9° |
| H11 | CAM | CAK | H12 | 43.5° | 175.0° |
| H11 | CAM | CAK | H13 | 162.0° | 65.0° |
| H12 | CAK | NAL | H14 | 148.8° | 63.9° |
| H13 | CAK | NAL | H14 | 30.3° | 176.0° |
| H14 | NAL | CAG | H16 | 177.6° | 63.9° |
| H14 | NAL | CAG | H17 | 64.3° | 176.1° |
| H16 | CAG | CAJ | H18 | 158.4° | 180.0° |
| H16 | CAG | CAJ | H19 | 40.1° | 60.0° |
| H17 | CAG | CAJ | H18 | 83.5° | 60.0° |
| H17 | CAG | CAJ | H19 | 158.2° | 180.0° |
