OP3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | CBC | doub | 1.21Å | 1.40Å | |
| CBC | CAT | sing | 1.51Å | 1.53Å | |
| OAE | CBB | doub | 1.21Å | 1.18Å | |
| CAN | CAT | sing | 1.53Å | 1.53Å | |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAM | CAR | sing | 1.53Å | 1.52Å | |
| CAA | OAX | sing | 1.45Å | 1.40Å | |
| CBB | CAR | sing | 1.51Å | 1.52Å | |
| CBB | OAX | sing | 1.34Å | 1.40Å | |
| CBC | O1 | sing | 1.34Å | 1.63Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | CBC | CAT | 108.9° | 120.0° |
| O25 | CBC | O1 | 147.5° | 120.0° |
| CBC | CAT | CAN | 112.8° | 109.5° |
| CAT | CBC | O1 | 100.1° | 120.0° |
| CBC | CAT | H12 | 108.6° | 109.5° |
| CBC | CAT | H13 | 108.6° | 109.5° |
| OAE | CBB | CAR | 119.8° | 120.0° |
| OAE | CBB | OAX | 120.1° | 120.0° |
| CAT | CAN | CAL | 111.9° | 109.5° |
| CAT | CAN | H8 | 108.9° | 109.4° |
| CAT | CAN | H9 | 108.8° | 109.5° |
| CAN | CAT | H12 | 108.7° | 109.4° |
| CAN | CAT | H13 | 108.6° | 109.5° |
| CAN | CAL | CAM | 112.3° | 109.5° |
| CAN | CAL | H4 | 108.7° | 109.5° |
| CAN | CAL | H5 | 108.8° | 109.5° |
| CAL | CAN | H8 | 108.8° | 109.5° |
| CAL | CAN | H9 | 108.8° | 109.5° |
| CAL | CAM | CAR | 112.3° | 109.5° |
| CAM | CAL | H4 | 108.8° | 109.4° |
| CAM | CAL | H5 | 108.8° | 109.5° |
| CAL | CAM | H6 | 108.8° | 109.5° |
| CAL | CAM | H7 | 108.8° | 109.5° |
| CAM | CAR | CBB | 111.5° | 109.5° |
| CAR | CAM | H6 | 108.7° | 109.4° |
| CAR | CAM | H7 | 108.8° | 109.4° |
| CAM | CAR | H10 | 109.0° | 109.5° |
| CAM | CAR | H11 | 109.0° | 109.5° |
| CAA | OAX | CBB | 113.9° | 117.0° |
| OAX | CAA | H1 | 109.5° | 109.5° |
| OAX | CAA | H2 | 109.5° | 109.5° |
| OAX | CAA | H3 | 109.5° | 109.5° |
| CAR | CBB | OAX | 120.2° | 120.0° |
| CBB | CAR | H10 | 109.0° | 109.5° |
| CBB | CAR | H11 | 109.0° | 109.4° |
| CBC | O1 | H14 | 109.5° | 116.9° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H6 | CAM | H7 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.5° | 109.5° |
| H10 | CAR | H11 | 109.5° | 109.4° |
| H12 | CAT | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | CBC | CAT | O1 | 165.2° | 180.0° |
| O25 | CBC | CAT | CAN | 1.3° | 0.0° |
| O25 | CBC | CAT | H12 | 119.2° | 120.0° |
| O25 | CBC | CAT | H13 | 121.8° | 120.0° |
| O25 | CBC | O1 | H14 | 0.0° | 0.1° |
| CBC | CAT | CAN | H12 | 120.5° | 120.0° |
| CBC | CAT | CAN | H13 | 120.5° | 120.1° |
| CBC | CAT | CAN | CAL | 179.3° | 180.0° |
| CBC | CAT | CAN | H8 | 58.9° | 60.0° |
| CBC | CAT | CAN | H9 | 60.4° | 60.0° |
| CBC | CAT | H12 | H13 | 118.5° | 120.0° |
| CAT | CBC | O1 | H14 | 153.2° | 180.0° |
| OAE | CBB | CAR | CAM | 8.2° | 0.0° |
| OAE | CBB | OAX | CAA | 26.4° | 0.1° |
| OAE | CBB | CAR | OAX | 179.9° | 180.0° |
| OAE | CBB | CAR | H10 | 128.5° | 120.0° |
| OAE | CBB | CAR | H11 | 112.1° | 120.0° |
| CAT | CAN | CAL | H8 | 120.4° | 120.0° |
| CAT | CAN | CAL | H9 | 120.3° | 120.0° |
| CAT | CAN | CAL | CAM | 177.6° | 180.0° |
| CAN | CAT | CBC | O1 | 163.9° | 180.0° |
| CAT | CAN | CAL | H4 | 62.0° | 60.1° |
| CAT | CAN | CAL | H5 | 57.2° | 60.0° |
| CAT | CAN | H8 | H9 | 118.9° | 120.0° |
| CAN | CAT | H12 | H13 | 118.5° | 120.0° |
| CAN | CAL | CAM | H4 | 120.4° | 119.9° |
| CAN | CAL | CAM | H5 | 120.4° | 120.0° |
| CAN | CAL | CAM | CAR | 177.7° | 180.0° |
| CAN | CAL | H4 | H5 | 118.7° | 120.1° |
| CAN | CAL | CAM | H6 | 61.9° | 60.0° |
| CAN | CAL | CAM | H7 | 57.3° | 60.0° |
| CAL | CAN | H8 | H9 | 118.9° | 120.0° |
| CAL | CAN | CAT | H12 | 60.2° | 60.0° |
| CAL | CAN | CAT | H13 | 58.8° | 59.9° |
| CAL | CAM | CAR | H6 | 120.4° | 120.0° |
| CAL | CAM | CAR | H7 | 120.4° | 120.0° |
| CAL | CAM | CAR | CBB | 175.7° | 180.0° |
| CAM | CAL | H4 | H5 | 118.7° | 120.0° |
| CAL | CAM | H6 | H7 | 118.8° | 120.1° |
| CAM | CAL | CAN | H8 | 57.2° | 60.0° |
| CAM | CAL | CAN | H9 | 62.0° | 60.0° |
| CAL | CAM | CAR | H10 | 55.4° | 60.0° |
| CAL | CAM | CAR | H11 | 64.0° | 60.0° |
| CAM | CAR | CBB | H10 | 120.3° | 120.1° |
| CAM | CAR | CBB | H11 | 120.3° | 120.0° |
| CAM | CAR | CBB | OAX | 171.9° | 180.0° |
| CAR | CAM | CAL | H4 | 57.3° | 60.1° |
| CAR | CAM | CAL | H5 | 61.8° | 60.0° |
| CAR | CAM | H6 | H7 | 118.7° | 120.0° |
| CAM | CAR | H10 | H11 | 119.1° | 120.0° |
| CAA | OAX | CBB | CAR | 153.4° | 180.0° |
| OAX | CAA | H1 | H2 | 120.0° | 120.0° |
| OAX | CAA | H1 | H3 | 120.0° | 120.0° |
| OAX | CAA | H2 | H3 | 120.0° | 120.1° |
| CBB | CAR | CAM | H6 | 63.9° | 60.0° |
| CBB | CAR | CAM | H7 | 55.2° | 60.0° |
| CBB | CAR | H10 | H11 | 119.1° | 120.0° |
| CBB | OAX | CAA | H1 | 180.0° | 60.0° |
| CBB | OAX | CAA | H2 | 60.0° | 59.9° |
| CBB | OAX | CAA | H3 | 60.0° | 180.0° |
| OAX | CBB | CAR | H10 | 51.7° | 60.0° |
| OAX | CBB | CAR | H11 | 67.8° | 60.0° |
| O1 | CBC | CAT | H12 | 75.6° | 60.0° |
| O1 | CBC | CAT | H13 | 43.4° | 60.0° |
| H1 | CAA | H2 | H3 | 119.9° | 119.9° |
| H4 | CAL | CAM | H6 | 177.7° | 59.9° |
| H4 | CAL | CAM | H7 | 63.1° | 180.0° |
| H4 | CAL | CAN | H8 | 177.7° | 180.0° |
| H4 | CAL | CAN | H9 | 58.4° | 59.9° |
| H5 | CAL | CAM | H6 | 58.6° | 179.9° |
| H5 | CAL | CAM | H7 | 177.7° | 60.0° |
| H5 | CAL | CAN | H8 | 63.2° | 60.0° |
| H5 | CAL | CAN | H9 | 177.5° | 180.0° |
| H6 | CAM | CAR | H10 | 175.8° | 180.0° |
| H6 | CAM | CAR | H11 | 56.4° | 60.0° |
| H7 | CAM | CAR | H10 | 65.1° | 60.0° |
| H7 | CAM | CAR | H11 | 175.5° | 180.0° |
| H8 | CAN | CAT | H12 | 179.4° | 180.0° |
| H8 | CAN | CAT | H13 | 61.5° | 60.1° |
| H9 | CAN | CAT | H12 | 60.1° | 60.0° |
| H9 | CAN | CAT | H13 | 179.2° | 180.0° |
