J1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAQ | doub | 1.21Å | 1.23Å | |
| OAG | CAR | sing | 1.43Å | 1.40Å | |
| CAQ | CAR | sing | 1.51Å | 1.42Å | |
| CAQ | NAN | sing | 1.35Å | 1.37Å | |
| CAR | CAS | sing | 1.53Å | 1.51Å | |
| CAK | NAN | sing | 1.46Å | 1.43Å | |
| CAK | CAJ | sing | 1.53Å | 1.56Å | |
| CAL | CAJ | sing | 1.53Å | 1.52Å | |
| CAL | CAP | sing | 1.51Å | 1.56Å | |
| CAB | CAS | sing | 1.53Å | 1.55Å | |
| CAS | CAM | sing | 1.53Å | 1.53Å | |
| CAS | CAA | sing | 1.53Å | 1.59Å | |
| CAM | OAO | sing | 1.43Å | 1.48Å | |
| CAP | OAF | doub | 1.21Å | 1.26Å | |
| CAP | OAC | sing | 1.34Å | 1.30Å | |
| OAO | PAT | sing | 1.61Å | 1.60Å | |
| OAE | PAT | doub | 1.48Å | 1.46Å | |
| PAT | OAH | sing | 1.61Å | 1.62Å | |
| PAT | OAI | sing | 1.61Å | 1.56Å | |
| OAH | H1 | sing | 0.97Å | 0.95Å | |
| OAI | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| OAG | H12 | sing | 0.97Å | 0.95Å | |
| NAN | H13 | sing | 0.97Å | 1.00Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAL | H18 | sing | 1.09Å | 1.10Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| OAC | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAQ | CAR | 119.7° | 120.0° |
| OAD | CAQ | NAN | 123.0° | 119.9° |
| OAG | CAR | CAQ | 115.9° | 109.5° |
| OAG | CAR | CAS | 115.0° | 109.5° |
| OAG | CAR | H11 | 103.4° | 109.5° |
| CAR | OAG | H12 | 109.5° | 114.0° |
| CAR | CAQ | NAN | 117.3° | 120.0° |
| CAQ | CAR | CAS | 114.5° | 109.5° |
| CAQ | CAR | H11 | 103.1° | 109.4° |
| CAQ | NAN | CAK | 122.4° | 120.0° |
| CAQ | NAN | H13 | 118.8° | 119.9° |
| CAR | CAS | CAB | 107.2° | 109.5° |
| CAR | CAS | CAM | 107.1° | 109.5° |
| CAR | CAS | CAA | 117.3° | 109.5° |
| CAS | CAR | H11 | 102.3° | 109.5° |
| NAN | CAK | CAJ | 106.2° | 109.5° |
| CAK | NAN | H13 | 118.8° | 120.0° |
| NAN | CAK | H14 | 110.3° | 109.5° |
| NAN | CAK | H15 | 110.3° | 109.4° |
| CAK | CAJ | CAL | 110.0° | 109.4° |
| CAJ | CAK | H14 | 110.3° | 109.5° |
| CAJ | CAK | H15 | 110.3° | 109.5° |
| CAK | CAJ | H16 | 109.4° | 109.5° |
| CAK | CAJ | H17 | 109.3° | 109.4° |
| CAJ | CAL | CAP | 115.0° | 109.5° |
| CAL | CAJ | H16 | 109.3° | 109.5° |
| CAL | CAJ | H17 | 109.3° | 109.5° |
| CAJ | CAL | H18 | 108.1° | 109.5° |
| CAJ | CAL | H19 | 108.1° | 109.5° |
| CAL | CAP | OAF | 111.5° | 120.0° |
| CAL | CAP | OAC | 121.7° | 120.0° |
| CAP | CAL | H18 | 108.1° | 109.4° |
| CAP | CAL | H19 | 108.0° | 109.4° |
| CAB | CAS | CAM | 109.1° | 109.5° |
| CAB | CAS | CAA | 106.5° | 109.4° |
| CAS | CAB | H8 | 109.5° | 109.5° |
| CAS | CAB | H9 | 109.4° | 109.5° |
| CAS | CAB | H10 | 109.5° | 109.4° |
| CAM | CAS | CAA | 109.4° | 109.5° |
| CAS | CAM | OAO | 112.1° | 109.5° |
| CAS | CAM | H3 | 108.8° | 109.5° |
| CAS | CAM | H4 | 108.8° | 109.5° |
| CAS | CAA | H5 | 109.5° | 109.5° |
| CAS | CAA | H6 | 109.5° | 109.5° |
| CAS | CAA | H7 | 109.5° | 109.5° |
| CAM | OAO | PAT | 121.7° | 123.0° |
| OAO | CAM | H3 | 108.8° | 109.5° |
| OAO | CAM | H4 | 108.8° | 109.5° |
| OAF | CAP | OAC | 126.8° | 120.0° |
| CAP | OAC | H20 | 109.5° | 117.0° |
| OAO | PAT | OAE | 114.7° | 109.5° |
| OAO | PAT | OAH | 102.7° | 109.5° |
| OAO | PAT | OAI | 100.9° | 109.4° |
| OAE | PAT | OAH | 108.4° | 109.5° |
| OAE | PAT | OAI | 123.8° | 109.5° |
| OAH | PAT | OAI | 103.9° | 109.5° |
| PAT | OAH | H1 | 109.5° | 114.0° |
| PAT | OAI | H2 | 109.5° | 114.0° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.4° |
| H8 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.5° | 109.6° |
| H14 | CAK | H15 | 109.4° | 109.5° |
| H16 | CAJ | H17 | 109.5° | 109.5° |
| H18 | CAL | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAQ | CAR | OAG | 45.4° | 8.2° |
| OAD | CAQ | CAR | NAN | 177.7° | 180.0° |
| OAD | CAQ | CAR | CAS | 92.1° | 111.8° |
| OAD | CAQ | NAN | CAK | 2.9° | 4.4° |
| OAD | CAQ | CAR | H11 | 157.6° | 128.2° |
| OAD | CAQ | NAN | H13 | 177.1° | 175.6° |
| OAG | CAR | CAQ | CAS | 137.5° | 120.0° |
| OAG | CAR | CAQ | H11 | 112.2° | 120.0° |
| OAG | CAR | CAQ | NAN | 136.9° | 171.8° |
| OAG | CAR | CAS | H11 | 111.3° | 120.0° |
| OAG | CAR | CAS | CAB | 72.2° | 54.3° |
| OAG | CAR | CAS | CAM | 44.9° | 65.8° |
| OAG | CAR | CAS | CAA | 168.2° | 174.2° |
| CAQ | CAR | CAS | H11 | 110.8° | 120.0° |
| CAR | CAQ | NAN | CAK | 174.7° | 175.6° |
| CAQ | CAR | CAS | CAB | 65.7° | 174.3° |
| CAQ | CAR | CAS | CAM | 177.3° | 54.2° |
| CAQ | CAR | CAS | CAA | 54.0° | 65.7° |
| CAQ | CAR | OAG | H12 | 19.4° | 60.0° |
| CAR | CAQ | NAN | H13 | 5.3° | 4.4° |
| NAN | CAQ | CAR | CAS | 85.6° | 68.1° |
| CAQ | NAN | CAK | H13 | 180.0° | 180.0° |
| CAQ | NAN | CAK | CAJ | 92.2° | 180.0° |
| NAN | CAQ | CAR | H11 | 24.7° | 51.9° |
| CAQ | NAN | CAK | H14 | 148.3° | 60.0° |
| CAQ | NAN | CAK | H15 | 27.3° | 60.0° |
| CAR | CAS | CAB | CAM | 115.6° | 120.0° |
| CAR | CAS | CAB | CAA | 126.4° | 120.0° |
| CAR | CAS | CAM | CAA | 128.1° | 120.0° |
| CAR | CAS | CAM | OAO | 176.4° | 180.0° |
| CAR | CAS | CAM | H3 | 56.0° | 60.0° |
| CAR | CAS | CAM | H4 | 63.2° | 60.0° |
| CAR | CAS | CAA | H5 | 180.0° | 173.6° |
| CAR | CAS | CAA | H6 | 60.0° | 53.6° |
| CAR | CAS | CAA | H7 | 60.0° | 66.4° |
| CAR | CAS | CAB | H8 | 180.0° | 56.6° |
| CAR | CAS | CAB | H9 | 60.0° | 63.3° |
| CAR | CAS | CAB | H10 | 60.0° | 176.6° |
| CAS | CAR | OAG | H12 | 117.9° | 60.0° |
| NAN | CAK | CAJ | H14 | 119.5° | 120.0° |
| NAN | CAK | CAJ | H15 | 119.5° | 120.0° |
| NAN | CAK | CAJ | CAL | 175.3° | 180.0° |
| NAN | CAK | H14 | H15 | 121.5° | 120.0° |
| NAN | CAK | CAJ | H16 | 55.3° | 60.0° |
| NAN | CAK | CAJ | H17 | 64.6° | 60.0° |
| CAK | CAJ | CAL | H16 | 120.1° | 120.0° |
| CAK | CAJ | CAL | H17 | 120.1° | 119.9° |
| CAK | CAJ | CAL | CAP | 139.0° | 180.0° |
| CAJ | CAK | NAN | H13 | 87.8° | 0.0° |
| CAJ | CAK | H14 | H15 | 121.5° | 120.0° |
| CAK | CAJ | H16 | H17 | 119.7° | 120.0° |
| CAK | CAJ | CAL | H18 | 18.2° | 60.0° |
| CAK | CAJ | CAL | H19 | 100.2° | 60.1° |
| CAJ | CAL | CAP | H18 | 120.8° | 120.0° |
| CAJ | CAL | CAP | H19 | 120.8° | 120.0° |
| CAJ | CAL | CAP | OAF | 98.8° | 0.0° |
| CAJ | CAL | CAP | OAC | 83.6° | 180.0° |
| CAL | CAJ | CAK | H14 | 65.2° | 60.0° |
| CAL | CAJ | CAK | H15 | 55.8° | 60.1° |
| CAL | CAJ | H16 | H17 | 119.7° | 120.0° |
| CAJ | CAL | H18 | H19 | 117.5° | 120.1° |
| CAL | CAP | OAF | OAC | 177.5° | 179.9° |
| CAP | CAL | CAJ | H16 | 100.9° | 60.0° |
| CAP | CAL | CAJ | H17 | 18.9° | 60.0° |
| CAP | CAL | H18 | H19 | 117.4° | 119.9° |
| CAL | CAP | OAC | H20 | 177.2° | 180.0° |
| CAB | CAS | CAM | CAA | 116.2° | 120.0° |
| CAB | CAS | CAM | OAO | 60.7° | 59.9° |
| CAB | CAS | CAM | H3 | 59.7° | 60.0° |
| CAB | CAS | CAM | H4 | 178.9° | 180.0° |
| CAB | CAS | CAA | H5 | 60.0° | 53.6° |
| CAB | CAS | CAA | H6 | 180.0° | 66.4° |
| CAB | CAS | CAA | H7 | 60.1° | 173.6° |
| CAS | CAB | H8 | H9 | 120.0° | 119.9° |
| CAS | CAB | H8 | H10 | 120.0° | 120.0° |
| CAS | CAB | H9 | H10 | 120.0° | 120.0° |
| CAB | CAS | CAR | H11 | 176.5° | 65.7° |
| CAS | CAM | OAO | H3 | 120.4° | 120.0° |
| CAS | CAM | OAO | H4 | 120.4° | 120.0° |
| CAS | CAM | OAO | PAT | 147.1° | 180.0° |
| CAS | CAM | H3 | H4 | 118.8° | 120.0° |
| CAM | CAS | CAA | H5 | 57.9° | 66.4° |
| CAM | CAS | CAA | H6 | 62.1° | 173.6° |
| CAM | CAS | CAA | H7 | 177.9° | 53.6° |
| CAM | CAS | CAB | H8 | 64.4° | 63.5° |
| CAM | CAS | CAB | H9 | 175.7° | 176.6° |
| CAM | CAS | CAB | H10 | 55.6° | 56.6° |
| CAM | CAS | CAR | H11 | 66.5° | 174.2° |
| CAA | CAS | CAM | OAO | 55.5° | 60.0° |
| CAA | CAS | CAM | H3 | 175.9° | 180.0° |
| CAA | CAS | CAM | H4 | 64.9° | 60.0° |
| CAS | CAA | H5 | H6 | 120.0° | 120.0° |
| CAS | CAA | H5 | H7 | 120.0° | 120.0° |
| CAS | CAA | H6 | H7 | 120.0° | 120.0° |
| CAA | CAS | CAB | H8 | 53.6° | 176.6° |
| CAA | CAS | CAB | H9 | 66.4° | 56.6° |
| CAA | CAS | CAB | H10 | 173.6° | 63.4° |
| CAA | CAS | CAR | H11 | 56.9° | 54.2° |
| CAM | OAO | PAT | OAE | 48.9° | 55.0° |
| CAM | OAO | PAT | OAH | 68.5° | 65.0° |
| CAM | OAO | PAT | OAI | 175.6° | 175.0° |
| OAO | CAM | H3 | H4 | 118.8° | 120.0° |
| OAF | CAP | CAL | H18 | 22.0° | 120.0° |
| OAF | CAP | CAL | H19 | 140.4° | 120.0° |
| OAF | CAP | OAC | H20 | 0.0° | 0.0° |
| OAC | CAP | CAL | H18 | 155.6° | 60.0° |
| OAC | CAP | CAL | H19 | 37.2° | 60.0° |
| OAO | PAT | OAE | OAH | 114.1° | 120.0° |
| OAO | PAT | OAE | OAI | 124.0° | 120.0° |
| OAO | PAT | OAH | OAI | 104.8° | 120.0° |
| OAO | PAT | OAH | H1 | 121.8° | 60.0° |
| OAO | PAT | OAI | H2 | 129.9° | 180.0° |
| PAT | OAO | CAM | H3 | 92.5° | 60.0° |
| PAT | OAO | CAM | H4 | 26.7° | 60.0° |
| OAE | PAT | OAH | OAI | 133.4° | 120.0° |
| OAE | PAT | OAH | H1 | 0.0° | 180.0° |
| OAE | PAT | OAI | H2 | 0.0° | 60.0° |
| OAH | PAT | OAI | H2 | 123.9° | 60.0° |
| OAI | PAT | OAH | H1 | 133.4° | 60.0° |
| H5 | CAA | H6 | H7 | 120.0° | 120.0° |
| H8 | CAB | H9 | H10 | 120.0° | 120.1° |
| H11 | CAR | OAG | H12 | 131.4° | 180.0° |
| H13 | NAN | CAK | H14 | 31.7° | 120.1° |
| H13 | NAN | CAK | H15 | 152.7° | 120.0° |
| H14 | CAK | CAJ | H16 | 174.8° | 180.0° |
| H14 | CAK | CAJ | H17 | 54.9° | 60.0° |
| H15 | CAK | CAJ | H16 | 64.3° | 60.0° |
| H15 | CAK | CAJ | H17 | 175.9° | 180.0° |
| H16 | CAJ | CAL | H18 | 138.3° | 180.0° |
| H16 | CAJ | CAL | H19 | 19.9° | 59.9° |
| H17 | CAJ | CAL | H18 | 101.9° | 59.9° |
| H17 | CAJ | CAL | H19 | 139.7° | 180.0° |
