IA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | NBB | doub | 1.22Å | 1.40Å | |
| OAD | NBB | sing | 1.22Å | 1.41Å | |
| NBB | CAU | sing | 1.48Å | 1.36Å | |
| OAC | CAR | doub | 1.22Å | 1.24Å | |
| CAU | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAW | sing | 1.48Å | 1.43Å | |
| CAR | NAQ | sing | 1.35Å | 1.37Å | |
| CAH | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | CAX | doub | 1.40Å | 1.42Å | Aromatic |
| CAT | FAF | sing | 1.35Å | 1.34Å | |
| CAT | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAX | CAS | sing | 1.38Å | 1.42Å | Aromatic |
| CAX | CLG | sing | 1.74Å | 1.63Å | |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAA | sing | 1.51Å | 1.43Å | |
| CAV | NAQ | sing | 1.40Å | 1.37Å | |
| CAV | CAY | doub | 1.39Å | 1.42Å | Aromatic |
| CAK | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAY | NBA | sing | 1.40Å | 1.36Å | |
| NBA | CAO | sing | 1.47Å | 1.47Å | |
| NBA | CAP | sing | 1.47Å | 1.47Å | |
| CAO | CAM | sing | 1.53Å | 1.47Å | |
| CAM | NAZ | sing | 1.47Å | 1.45Å | |
| CAP | CAN | sing | 1.53Å | 1.59Å | |
| NAZ | CAN | sing | 1.47Å | 1.51Å | |
| NAZ | CAB | sing | 1.47Å | 1.46Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| NAQ | H6 | sing | 0.97Å | 1.00Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | NBB | OAD | 120.5° | 120.0° |
| OAE | NBB | CAU | 119.3° | 120.0° |
| OAD | NBB | CAU | 120.2° | 120.0° |
| NBB | CAU | CAL | 121.2° | 119.9° |
| NBB | CAU | CAI | 120.1° | 119.9° |
| OAC | CAR | CAW | 120.1° | 120.0° |
| OAC | CAR | NAQ | 123.9° | 120.0° |
| CAL | CAU | CAI | 118.7° | 120.3° |
| CAU | CAL | CAV | 121.6° | 119.9° |
| CAU | CAL | H7 | 119.2° | 120.0° |
| CAU | CAI | CAK | 120.7° | 120.2° |
| CAU | CAI | H8 | 119.7° | 120.0° |
| CAL | CAV | NAQ | 119.0° | 120.1° |
| CAL | CAV | CAY | 119.8° | 119.9° |
| CAV | CAL | H7 | 119.2° | 120.1° |
| CAH | CAJ | CAW | 121.7° | 119.8° |
| CAJ | CAH | CAT | 120.4° | 120.2° |
| CAJ | CAH | H4 | 119.8° | 119.8° |
| CAH | CAJ | H5 | 119.2° | 120.1° |
| CAJ | CAW | CAR | 117.1° | 120.1° |
| CAJ | CAW | CAX | 118.1° | 119.7° |
| CAW | CAJ | H5 | 119.2° | 120.1° |
| CAW | CAR | NAQ | 116.0° | 120.0° |
| CAR | CAW | CAX | 124.8° | 120.2° |
| CAR | NAQ | CAV | 122.0° | 120.0° |
| CAR | NAQ | H6 | 119.0° | 120.0° |
| CAH | CAT | FAF | 117.8° | 119.9° |
| CAH | CAT | CAS | 120.5° | 120.3° |
| CAT | CAH | H4 | 119.8° | 119.9° |
| CAW | CAX | CAS | 120.5° | 119.9° |
| CAW | CAX | CLG | 119.5° | 120.1° |
| FAF | CAT | CAS | 121.6° | 119.9° |
| CAT | CAS | CAX | 118.8° | 120.1° |
| CAT | CAS | CAA | 118.8° | 119.9° |
| CAS | CAX | CLG | 120.0° | 120.1° |
| CAX | CAS | CAA | 122.4° | 120.0° |
| CAI | CAK | CAY | 121.4° | 120.0° |
| CAK | CAI | H8 | 119.7° | 119.9° |
| CAI | CAK | H9 | 119.3° | 120.0° |
| CAS | CAA | H1 | 109.5° | 109.5° |
| CAS | CAA | H2 | 109.4° | 109.5° |
| CAS | CAA | H3 | 109.5° | 109.5° |
| NAQ | CAV | CAY | 121.1° | 120.1° |
| CAV | NAQ | H6 | 119.0° | 120.0° |
| CAV | CAY | CAK | 117.9° | 119.8° |
| CAV | CAY | NBA | 125.3° | 120.1° |
| CAK | CAY | NBA | 116.7° | 120.1° |
| CAY | CAK | H9 | 119.3° | 120.0° |
| CAY | NBA | CAO | 118.0° | 111.0° |
| CAY | NBA | CAP | 123.3° | 111.0° |
| CAO | NBA | CAP | 117.1° | 110.9° |
| NBA | CAO | CAM | 109.6° | 109.4° |
| NBA | CAO | H10 | 109.4° | 109.5° |
| NBA | CAO | H11 | 109.4° | 109.4° |
| NBA | CAP | CAN | 114.1° | 109.4° |
| NBA | CAP | H20 | 108.3° | 109.5° |
| NBA | CAP | H21 | 108.3° | 109.5° |
| CAO | CAM | NAZ | 110.4° | 109.4° |
| CAM | CAO | H10 | 109.4° | 109.6° |
| CAM | CAO | H11 | 109.4° | 109.5° |
| CAO | CAM | H12 | 109.2° | 109.5° |
| CAO | CAM | H13 | 109.3° | 109.5° |
| CAM | NAZ | CAN | 101.2° | 110.9° |
| CAM | NAZ | CAB | 116.8° | 111.0° |
| NAZ | CAM | H12 | 109.2° | 109.5° |
| NAZ | CAM | H13 | 109.2° | 109.5° |
| CAP | CAN | NAZ | 109.1° | 109.3° |
| CAP | CAN | H18 | 109.5° | 109.5° |
| CAP | CAN | H19 | 109.5° | 109.5° |
| CAN | CAP | H20 | 108.3° | 109.5° |
| CAN | CAP | H21 | 108.3° | 109.4° |
| CAN | NAZ | CAB | 96.7° | 111.0° |
| NAZ | CAN | H18 | 109.6° | 109.5° |
| NAZ | CAN | H19 | 109.6° | 109.5° |
| NAZ | CAB | H15 | 109.5° | 109.5° |
| NAZ | CAB | H16 | 109.5° | 109.5° |
| NAZ | CAB | H17 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H17 | 109.4° | 109.4° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H18 | CAN | H19 | 109.5° | 109.6° |
| H20 | CAP | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | NBB | OAD | CAU | 178.9° | 180.0° |
| OAE | NBB | CAU | CAL | 28.1° | 0.0° |
| OAE | NBB | CAU | CAI | 151.6° | 180.0° |
| OAD | NBB | CAU | CAL | 153.0° | 180.0° |
| OAD | NBB | CAU | CAI | 27.4° | 0.0° |
| NBB | CAU | CAL | CAI | 179.6° | 180.0° |
| NBB | CAU | CAL | CAV | 179.0° | 180.0° |
| NBB | CAU | CAI | CAK | 179.8° | 180.0° |
| NBB | CAU | CAL | H7 | 1.0° | 0.0° |
| NBB | CAU | CAI | H8 | 0.3° | 0.0° |
| OAC | CAR | CAW | CAJ | 124.2° | 180.0° |
| OAC | CAR | CAW | NAQ | 177.8° | 179.9° |
| OAC | CAR | CAW | CAX | 53.9° | 0.6° |
| OAC | CAR | NAQ | CAV | 3.4° | 5.5° |
| OAC | CAR | NAQ | H6 | 176.6° | 174.5° |
| CAU | CAL | CAV | H7 | 180.0° | 180.0° |
| CAL | CAU | CAI | CAK | 0.1° | 0.0° |
| CAU | CAL | CAV | NAQ | 178.2° | 180.0° |
| CAU | CAL | CAV | CAY | 1.9° | 0.2° |
| CAL | CAU | CAI | H8 | 179.9° | 179.9° |
| CAI | CAU | CAL | CAV | 0.7° | 0.0° |
| CAU | CAI | CAK | H8 | 180.0° | 179.9° |
| CAU | CAI | CAK | CAY | 0.3° | 0.2° |
| CAI | CAU | CAL | H7 | 179.3° | 180.0° |
| CAU | CAI | CAK | H9 | 179.7° | 179.9° |
| CAL | CAV | NAQ | CAR | 64.7° | 24.9° |
| CAL | CAV | NAQ | CAY | 176.3° | 179.8° |
| CAL | CAV | CAY | CAK | 2.2° | 0.5° |
| CAL | CAV | CAY | NBA | 178.5° | 179.7° |
| CAL | CAV | NAQ | H6 | 115.3° | 155.1° |
| CAH | CAJ | CAW | H5 | 180.0° | 179.7° |
| CAH | CAJ | CAW | CAR | 179.5° | 180.0° |
| CAJ | CAH | CAT | H4 | 180.0° | 180.0° |
| CAH | CAJ | CAW | CAX | 1.2° | 0.6° |
| CAJ | CAH | CAT | FAF | 179.8° | 180.0° |
| CAJ | CAH | CAT | CAS | 0.3° | 0.0° |
| CAJ | CAW | CAR | CAX | 178.1° | 179.4° |
| CAJ | CAW | CAR | NAQ | 53.6° | 0.0° |
| CAW | CAJ | CAH | CAT | 1.0° | 0.3° |
| CAJ | CAW | CAX | CAS | 0.9° | 0.6° |
| CAJ | CAW | CAX | CLG | 179.6° | 179.7° |
| CAW | CAJ | CAH | H4 | 179.0° | 179.7° |
| CAR | CAW | CAX | CAS | 179.0° | 180.0° |
| CAR | CAW | CAX | CLG | 1.5° | 0.3° |
| CAW | CAR | NAQ | CAV | 174.4° | 174.5° |
| CAR | CAW | CAJ | H5 | 0.5° | 0.3° |
| CAW | CAR | NAQ | H6 | 5.6° | 5.5° |
| NAQ | CAR | CAW | CAX | 128.3° | 179.4° |
| CAR | NAQ | CAV | H6 | 180.0° | 180.0° |
| CAR | NAQ | CAV | CAY | 119.0° | 154.9° |
| CAH | CAT | FAF | CAS | 179.9° | 180.0° |
| CAH | CAT | CAS | CAX | 0.0° | 0.1° |
| CAH | CAT | CAS | CAA | 179.9° | 180.0° |
| CAT | CAH | CAJ | H5 | 179.1° | 180.0° |
| CAW | CAX | CAS | CAT | 0.2° | 0.3° |
| CAW | CAX | CAS | CLG | 179.5° | 179.7° |
| CAW | CAX | CAS | CAA | 179.8° | 179.7° |
| CAX | CAW | CAJ | H5 | 178.8° | 179.7° |
| FAF | CAT | CAS | CAX | 179.8° | 180.0° |
| FAF | CAT | CAS | CAA | 0.2° | 0.0° |
| FAF | CAT | CAH | H4 | 0.2° | 0.0° |
| CAT | CAS | CAX | CAA | 179.9° | 180.0° |
| CAT | CAS | CAX | CLG | 179.8° | 180.0° |
| CAT | CAS | CAA | H1 | 89.9° | 90.0° |
| CAT | CAS | CAA | H2 | 150.0° | 30.1° |
| CAT | CAS | CAA | H3 | 30.1° | 150.1° |
| CAS | CAT | CAH | H4 | 179.7° | 180.0° |
| CAX | CAS | CAA | H1 | 90.0° | 90.0° |
| CAX | CAS | CAA | H2 | 30.1° | 150.0° |
| CAX | CAS | CAA | H3 | 150.0° | 30.0° |
| CLG | CAX | CAS | CAA | 0.3° | 0.0° |
| CAI | CAK | CAY | CAV | 1.4° | 0.4° |
| CAI | CAK | CAY | H9 | 180.0° | 179.9° |
| CAI | CAK | CAY | NBA | 178.1° | 179.7° |
| CAS | CAA | H1 | H2 | 120.0° | 120.1° |
| CAS | CAA | H1 | H3 | 120.0° | 120.0° |
| CAS | CAA | H2 | H3 | 120.0° | 120.0° |
| NAQ | CAV | CAY | CAK | 178.4° | 179.8° |
| NAQ | CAV | CAY | NBA | 5.2° | 0.0° |
| NAQ | CAV | CAL | H7 | 1.8° | 0.0° |
| CAV | CAY | CAK | NBA | 176.7° | 179.8° |
| CAV | CAY | NBA | CAO | 55.7° | 120.0° |
| CAV | CAY | NBA | CAP | 138.7° | 116.2° |
| CAY | CAV | NAQ | H6 | 61.0° | 25.1° |
| CAY | CAV | CAL | H7 | 178.2° | 179.8° |
| CAV | CAY | CAK | H9 | 178.6° | 179.7° |
| CAK | CAY | NBA | CAO | 120.7° | 59.8° |
| CAK | CAY | NBA | CAP | 44.9° | 64.0° |
| CAY | CAK | CAI | H8 | 179.7° | 179.7° |
| CAY | NBA | CAO | CAP | 166.5° | 123.9° |
| CAY | NBA | CAO | CAM | 154.9° | 176.8° |
| CAY | NBA | CAP | CAN | 164.4° | 176.8° |
| NBA | CAY | CAK | H9 | 1.9° | 0.1° |
| CAY | NBA | CAO | H10 | 34.8° | 56.7° |
| CAY | NBA | CAO | H11 | 85.1° | 63.3° |
| CAY | NBA | CAP | H20 | 74.9° | 63.2° |
| CAY | NBA | CAP | H21 | 43.7° | 56.9° |
| NBA | CAO | CAM | H10 | 120.0° | 120.0° |
| NBA | CAO | CAM | H11 | 120.0° | 119.9° |
| NBA | CAO | CAM | NAZ | 65.5° | 58.4° |
| CAO | NBA | CAP | CAN | 29.9° | 59.3° |
| NBA | CAO | H10 | H11 | 119.9° | 120.0° |
| NBA | CAO | CAM | H12 | 54.7° | 61.6° |
| NBA | CAO | CAM | H13 | 174.4° | 178.3° |
| CAO | NBA | CAP | H20 | 90.8° | 60.7° |
| CAO | NBA | CAP | H21 | 150.5° | 179.2° |
| CAP | NBA | CAO | CAM | 38.6° | 59.3° |
| NBA | CAP | CAN | H20 | 120.7° | 120.0° |
| NBA | CAP | CAN | H21 | 120.7° | 119.9° |
| NBA | CAP | CAN | NAZ | 43.2° | 58.4° |
| CAP | NBA | CAO | H10 | 158.7° | 179.4° |
| CAP | NBA | CAO | H11 | 81.4° | 60.6° |
| NBA | CAP | CAN | H18 | 163.1° | 61.5° |
| NBA | CAP | CAN | H19 | 76.8° | 178.4° |
| NBA | CAP | H20 | H21 | 117.9° | 120.1° |
| CAO | CAM | NAZ | H12 | 120.2° | 120.0° |
| CAO | CAM | NAZ | H13 | 120.2° | 120.0° |
| CAO | CAM | NAZ | CAN | 78.5° | 59.3° |
| CAO | CAM | NAZ | CAB | 178.0° | 176.8° |
| CAM | CAO | H10 | H11 | 119.9° | 120.1° |
| CAO | CAM | H12 | H13 | 119.6° | 120.0° |
| CAM | NAZ | CAN | CAP | 63.9° | 59.3° |
| CAM | NAZ | CAN | CAB | 119.0° | 123.8° |
| NAZ | CAM | CAO | H10 | 174.5° | 178.4° |
| NAZ | CAM | CAO | H11 | 54.5° | 61.5° |
| NAZ | CAM | H12 | H13 | 119.5° | 120.1° |
| CAM | NAZ | CAB | H15 | 180.0° | 60.0° |
| CAM | NAZ | CAB | H16 | 60.0° | 180.0° |
| CAM | NAZ | CAB | H17 | 60.0° | 59.9° |
| CAM | NAZ | CAN | H18 | 176.2° | 60.6° |
| CAM | NAZ | CAN | H19 | 56.0° | 179.3° |
| CAP | CAN | NAZ | H18 | 119.9° | 119.9° |
| CAP | CAN | NAZ | H19 | 119.9° | 119.9° |
| CAP | CAN | NAZ | CAB | 177.1° | 176.8° |
| CAP | CAN | H18 | H19 | 120.1° | 120.1° |
| CAN | CAP | H20 | H21 | 117.9° | 120.0° |
| CAN | NAZ | CAM | H12 | 41.6° | 60.6° |
| CAN | NAZ | CAM | H13 | 161.3° | 179.3° |
| CAN | NAZ | CAB | H15 | 73.9° | 176.2° |
| CAN | NAZ | CAB | H16 | 46.1° | 56.2° |
| CAN | NAZ | CAB | H17 | 166.2° | 63.8° |
| NAZ | CAN | H18 | H19 | 120.2° | 120.1° |
| NAZ | CAN | CAP | H20 | 77.5° | 61.6° |
| NAZ | CAN | CAP | H21 | 163.8° | 178.3° |
| CAB | NAZ | CAM | H12 | 61.8° | 63.2° |
| CAB | NAZ | CAM | H13 | 57.8° | 56.9° |
| NAZ | CAB | H15 | H16 | 120.0° | 120.0° |
| NAZ | CAB | H15 | H17 | 120.0° | 120.0° |
| NAZ | CAB | H16 | H17 | 120.0° | 120.1° |
| CAB | NAZ | CAN | H18 | 57.1° | 63.3° |
| CAB | NAZ | CAN | H19 | 63.0° | 56.9° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAH | CAJ | H5 | 0.9° | 0.0° |
| H8 | CAI | CAK | H9 | 0.3° | 0.1° |
| H10 | CAO | CAM | H12 | 65.4° | 58.4° |
| H10 | CAO | CAM | H13 | 54.3° | 61.6° |
| H11 | CAO | CAM | H12 | 174.7° | 178.5° |
| H11 | CAO | CAM | H13 | 65.6° | 58.5° |
| H15 | CAB | H16 | H17 | 120.0° | 120.0° |
| H18 | CAN | CAP | H20 | 42.4° | 178.5° |
| H18 | CAN | CAP | H21 | 76.2° | 58.4° |
| H19 | CAN | CAP | H20 | 162.5° | 58.3° |
| H19 | CAN | CAP | H21 | 43.9° | 61.7° |
