V30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | N1I | doub | 1.31Å | 1.33Å | |
| CAS | N1I | sing | 1.35Å | 1.35Å | |
| CAN | N1J | sing | 1.35Å | 1.34Å | |
| CAG | N1J | sing | 1.46Å | 1.47Å | |
| N1J | HN1J | sing | 0.97Å | 1.00Å | |
| CAR | N1K | sing | 1.35Å | 1.38Å | |
| N1K | CAQ | sing | 1.36Å | 1.36Å | |
| N1K | HN1K | sing | 0.97Å | 1.00Å | |
| CAA | CAO | sing | 1.51Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CAP | sing | 1.51Å | 1.53Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAC | CAN | doub | 1.21Å | 1.23Å | |
| OAD | CAR | doub | 1.22Å | 1.22Å | |
| CAF | OAE | sing | 1.43Å | 1.44Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| SAL | CAH | sing | 1.81Å | 1.83Å | |
| CAN | CAH | sing | 1.51Å | 1.53Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAQ | SAL | sing | 1.76Å | 1.73Å | |
| CAO | SAM | sing | 1.75Å | 1.70Å | Aromatic |
| CAS | SAM | sing | 1.76Å | 1.70Å | Aromatic |
| CAP | CAO | doub | 1.32Å | 1.39Å | Aromatic |
| CAP | CAT | sing | 1.45Å | 1.41Å | Aromatic |
| CAR | CAT | sing | 1.43Å | 1.41Å | |
| CAT | CAS | doub | 1.39Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | N1I | CAS | 119.9° | 121.5° |
| N1I | CAQ | N1K | 122.0° | 121.6° |
| N1I | CAQ | SAL | 121.3° | 119.2° |
| N1I | CAS | SAM | 129.1° | 130.7° |
| N1I | CAS | CAT | 121.7° | 119.7° |
| CAN | N1J | CAG | 124.1° | 120.0° |
| CAN | N1J | HN1J | 117.9° | 120.0° |
| N1J | CAN | OAC | 124.8° | 120.0° |
| N1J | CAN | CAH | 114.3° | 120.0° |
| CAG | N1J | HN1J | 118.0° | 120.0° |
| N1J | CAG | CAF | 109.4° | 109.5° |
| N1J | CAG | HAG | 109.5° | 109.5° |
| N1J | CAG | HAGA | 109.5° | 109.4° |
| CAR | N1K | CAQ | 120.0° | 120.3° |
| CAR | N1K | HN1K | 120.0° | 119.8° |
| N1K | CAR | OAD | 117.1° | 120.6° |
| N1K | CAR | CAT | 119.2° | 118.9° |
| CAQ | N1K | HN1K | 120.0° | 119.9° |
| N1K | CAQ | SAL | 116.6° | 119.2° |
| CAO | CAA | HAA | 109.5° | 109.5° |
| CAO | CAA | HAAA | 109.5° | 109.5° |
| CAO | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAO | SAM | 124.4° | 124.3° |
| CAA | CAO | CAP | 126.7° | 124.4° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CAP | CAB | HAB | 109.5° | 109.5° |
| CAP | CAB | HABA | 109.5° | 109.5° |
| CAP | CAB | HABB | 109.5° | 109.5° |
| CAB | CAP | CAO | 123.2° | 122.6° |
| CAB | CAP | CAT | 123.0° | 122.6° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| OAC | CAN | CAH | 120.8° | 120.0° |
| OAD | CAR | CAT | 123.7° | 120.5° |
| CAF | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAF | CAG | 110.0° | 109.4° |
| OAE | CAF | HAF | 109.3° | 109.5° |
| OAE | CAF | HAFA | 109.3° | 109.5° |
| CAG | CAF | HAF | 109.3° | 109.5° |
| CAG | CAF | HAFA | 109.3° | 109.4° |
| CAF | CAG | HAG | 109.5° | 109.5° |
| CAF | CAG | HAGA | 109.5° | 109.5° |
| HAF | CAF | HAFA | 109.7° | 109.5° |
| HAG | CAG | HAGA | 109.5° | 109.4° |
| SAL | CAH | CAN | 113.3° | 109.5° |
| SAL | CAH | HAH | 108.2° | 109.4° |
| SAL | CAH | HAHA | 108.2° | 109.5° |
| CAH | SAL | CAQ | 101.1° | 100.0° |
| CAN | CAH | HAH | 108.2° | 109.5° |
| CAN | CAH | HAHA | 108.2° | 109.5° |
| HAH | CAH | HAHA | 110.7° | 109.5° |
| CAO | SAM | CAS | 95.6° | 92.2° |
| SAM | CAO | CAP | 108.9° | 111.3° |
| SAM | CAS | CAT | 109.2° | 109.6° |
| CAO | CAP | CAT | 113.8° | 114.9° |
| CAP | CAT | CAR | 130.4° | 130.0° |
| CAP | CAT | CAS | 112.5° | 112.1° |
| CAR | CAT | CAS | 117.1° | 118.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1I | CAQ | N1K | CAR | 0.1° | 0.0° |
| N1I | CAQ | N1K | SAL | 179.7° | 180.0° |
| N1I | CAQ | N1K | HN1K | 179.9° | 179.9° |
| N1I | CAQ | SAL | CAH | 6.1° | 0.0° |
| CAQ | N1I | CAS | SAM | 178.1° | 180.0° |
| CAQ | N1I | CAS | CAT | 1.1° | 0.1° |
| CAS | N1I | CAQ | N1K | 0.6° | 0.1° |
| CAS | N1I | CAQ | SAL | 179.7° | 179.9° |
| N1I | CAS | SAM | CAO | 179.9° | 180.0° |
| N1I | CAS | SAM | CAT | 179.3° | 179.9° |
| N1I | CAS | CAT | CAP | 179.6° | 180.0° |
| N1I | CAS | CAT | CAR | 0.9° | 0.1° |
| CAN | N1J | CAG | HN1J | 180.0° | 179.9° |
| N1J | CAN | OAC | CAH | 180.0° | 180.0° |
| CAN | N1J | CAG | CAF | 164.4° | 180.0° |
| CAN | N1J | CAG | HAG | 75.6° | 59.9° |
| CAN | N1J | CAG | HAGA | 44.4° | 60.0° |
| N1J | CAN | CAH | SAL | 140.4° | 180.0° |
| N1J | CAN | CAH | HAH | 20.4° | 60.0° |
| N1J | CAN | CAH | HAHA | 99.7° | 60.0° |
| CAG | N1J | CAN | OAC | 0.3° | 0.1° |
| N1J | CAG | CAF | OAE | 172.2° | 65.1° |
| N1J | CAG | CAF | HAG | 120.0° | 120.1° |
| N1J | CAG | CAF | HAGA | 120.0° | 119.9° |
| N1J | CAG | CAF | HAF | 52.2° | 55.0° |
| N1J | CAG | CAF | HAFA | 67.8° | 175.0° |
| N1J | CAG | HAG | HAGA | 120.0° | 119.9° |
| CAG | N1J | CAN | CAH | 179.7° | 179.9° |
| HN1J | N1J | CAN | OAC | 179.7° | 180.0° |
| HN1J | N1J | CAG | CAF | 15.6° | 0.1° |
| HN1J | N1J | CAG | HAG | 104.4° | 120.0° |
| HN1J | N1J | CAG | HAGA | 135.6° | 120.1° |
| HN1J | N1J | CAN | CAH | 0.3° | 0.0° |
| CAR | N1K | CAQ | HN1K | 180.0° | 179.9° |
| N1K | CAR | OAD | CAT | 179.2° | 179.9° |
| CAR | N1K | CAQ | SAL | 179.7° | 179.9° |
| N1K | CAR | CAT | CAP | 179.7° | 180.0° |
| N1K | CAR | CAT | CAS | 0.2° | 0.1° |
| CAQ | N1K | CAR | OAD | 179.5° | 180.0° |
| N1K | CAQ | SAL | CAH | 173.7° | 180.0° |
| CAQ | N1K | CAR | CAT | 0.3° | 0.1° |
| HN1K | N1K | CAR | OAD | 0.5° | 0.1° |
| HN1K | N1K | CAQ | SAL | 0.3° | 0.0° |
| HN1K | N1K | CAR | CAT | 179.7° | 180.0° |
| CAO | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAO | CAP | CAB | 1.5° | 0.0° |
| CAA | CAO | SAM | CAP | 179.7° | 180.0° |
| CAA | CAO | SAM | CAS | 179.6° | 180.0° |
| CAA | CAO | CAP | CAT | 179.7° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAO | SAM | 0.0° | 0.0° |
| HAA | CAA | CAO | CAP | 179.7° | 180.0° |
| HAAA | CAA | CAO | SAM | 120.0° | 120.1° |
| HAAA | CAA | CAO | CAP | 60.4° | 60.0° |
| HAAB | CAA | CAO | SAM | 120.0° | 120.0° |
| HAAB | CAA | CAO | CAP | 59.6° | 60.0° |
| CAP | CAB | HAB | HABA | 120.0° | 120.0° |
| CAP | CAB | HAB | HABB | 120.0° | 120.1° |
| CAP | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAP | CAO | SAM | 178.9° | 180.0° |
| CAB | CAP | CAO | CAT | 178.3° | 180.0° |
| CAB | CAP | CAT | CAR | 0.1° | 0.0° |
| CAB | CAP | CAT | CAS | 179.4° | 180.0° |
| HAB | CAB | HABA | HABB | 119.9° | 119.9° |
| HAB | CAB | CAP | CAO | 89.0° | 90.0° |
| HAB | CAB | CAP | CAT | 89.1° | 90.0° |
| HABA | CAB | CAP | CAO | 151.0° | 150.0° |
| HABA | CAB | CAP | CAT | 30.9° | 30.0° |
| HABB | CAB | CAP | CAO | 30.9° | 30.0° |
| HABB | CAB | CAP | CAT | 150.9° | 150.0° |
| OAC | CAN | CAH | SAL | 39.6° | 0.0° |
| OAC | CAN | CAH | HAH | 159.6° | 120.0° |
| OAC | CAN | CAH | HAHA | 80.4° | 120.0° |
| OAD | CAR | CAT | CAP | 0.5° | 0.1° |
| OAD | CAR | CAT | CAS | 179.0° | 180.0° |
| OAE | CAF | CAG | HAF | 120.0° | 120.0° |
| OAE | CAF | CAG | HAFA | 120.0° | 120.0° |
| OAE | CAF | HAF | HAFA | 119.8° | 120.1° |
| OAE | CAF | CAG | HAG | 52.2° | 55.0° |
| OAE | CAF | CAG | HAGA | 67.8° | 175.0° |
| HOAE | OAE | CAF | CAG | 180.0° | 180.0° |
| HOAE | OAE | CAF | HAF | 60.0° | 60.0° |
| HOAE | OAE | CAF | HAFA | 60.0° | 60.1° |
| CAG | CAF | HAF | HAFA | 119.8° | 120.0° |
| CAF | CAG | HAG | HAGA | 120.0° | 120.0° |
| HAF | CAF | CAG | HAG | 67.8° | 175.0° |
| HAF | CAF | CAG | HAGA | 172.2° | 65.0° |
| HAFA | CAF | CAG | HAG | 172.2° | 65.0° |
| HAFA | CAF | CAG | HAGA | 52.2° | 55.0° |
| SAL | CAH | CAN | HAH | 120.0° | 119.9° |
| SAL | CAH | CAN | HAHA | 120.0° | 120.0° |
| SAL | CAH | HAH | HAHA | 118.4° | 120.0° |
| CAN | CAH | HAH | HAHA | 118.5° | 120.0° |
| CAN | CAH | SAL | CAQ | 78.3° | 180.0° |
| HAH | CAH | SAL | CAQ | 41.6° | 60.0° |
| HAHA | CAH | SAL | CAQ | 161.7° | 59.9° |
| SAM | CAO | CAP | CAT | 0.6° | 0.0° |
| CAO | SAM | CAS | CAT | 0.6° | 0.0° |
| CAS | SAM | CAO | CAP | 0.0° | 0.0° |
| SAM | CAS | CAT | CAP | 1.1° | 0.0° |
| SAM | CAS | CAT | CAR | 178.5° | 180.0° |
| CAO | CAP | CAT | CAR | 178.4° | 180.0° |
| CAO | CAP | CAT | CAS | 1.1° | 0.0° |
| CAP | CAT | CAR | CAS | 179.5° | 180.0° |
