CZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA | CA2 | sing | 1.36Å | 1.37Å | |
| OA | HOA | sing | 0.97Å | 0.95Å | |
| CA2 | CA3 | doub | 1.39Å | 1.40Å | Aromatic |
| CA2 | CA1 | sing | 1.40Å | 1.44Å | Aromatic |
| CA3 | CA4 | sing | 1.38Å | 1.39Å | Aromatic |
| CA3 | CA7 | sing | 1.51Å | 1.50Å | |
| CA4 | CA5 | doub | 1.39Å | 1.38Å | Aromatic |
| CA4 | HA4 | sing | 1.08Å | 1.10Å | |
| CA5 | CA6 | sing | 1.38Å | 1.39Å | Aromatic |
| CA5 | HA5 | sing | 1.08Å | 1.10Å | |
| CA6 | CA1 | doub | 1.40Å | 1.39Å | Aromatic |
| CA6 | HA6 | sing | 1.08Å | 1.10Å | |
| CA1 | CA | sing | 1.47Å | 1.44Å | |
| CA | NA | doub | 1.30Å | 1.29Å | |
| CA | HA | sing | 1.08Å | 1.10Å | |
| NA | CC1 | sing | 1.36Å | 1.44Å | |
| CC1 | CC6 | doub | 1.40Å | 1.40Å | Aromatic |
| CC1 | CC2 | sing | 1.41Å | 1.40Å | Aromatic |
| CC6 | CC5 | sing | 1.38Å | 1.39Å | Aromatic |
| CC6 | HC6 | sing | 1.08Å | 1.10Å | |
| CC5 | CC4 | doub | 1.39Å | 1.40Å | Aromatic |
| CC5 | HC5 | sing | 1.08Å | 1.10Å | |
| CC4 | CC3 | sing | 1.38Å | 1.40Å | Aromatic |
| CC4 | HC4 | sing | 1.08Å | 1.10Å | |
| CC3 | CC2 | doub | 1.40Å | 1.39Å | Aromatic |
| CC3 | HC3 | sing | 1.08Å | 1.10Å | |
| CC2 | NB | sing | 1.37Å | 1.44Å | |
| NB | CB | doub | 1.30Å | 1.29Å | |
| CB | CB1 | sing | 1.47Å | 1.44Å | |
| CB | HB | sing | 1.08Å | 1.10Å | |
| CB1 | CB6 | doub | 1.40Å | 1.39Å | Aromatic |
| CB1 | CB2 | sing | 1.40Å | 1.44Å | Aromatic |
| CB6 | CB5 | sing | 1.38Å | 1.39Å | Aromatic |
| CB6 | HB6 | sing | 1.08Å | 1.10Å | |
| CB5 | CB4 | doub | 1.39Å | 1.39Å | Aromatic |
| CB5 | HB5 | sing | 1.08Å | 1.10Å | |
| CB4 | CB3 | sing | 1.38Å | 1.39Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.10Å | |
| CB3 | CB2 | doub | 1.39Å | 1.40Å | Aromatic |
| CB3 | CB7 | sing | 1.51Å | 1.50Å | |
| CB2 | OB | sing | 1.36Å | 1.37Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CB7 | HB71 | sing | 1.09Å | 1.11Å | |
| CB7 | HB72 | sing | 1.09Å | 1.11Å | |
| CB7 | HB73 | sing | 1.09Å | 1.12Å | |
| CA7 | HA71 | sing | 1.09Å | 1.11Å | |
| CA7 | HA72 | sing | 1.09Å | 1.12Å | |
| CA7 | HA73 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA2 | OA | HOA | 117.4° | 106.8° |
| OA | CA2 | CA3 | 117.4° | 120.1° |
| OA | CA2 | CA1 | 121.7° | 120.2° |
| CA3 | CA2 | CA1 | 120.9° | 119.7° |
| CA2 | CA3 | CA4 | 118.8° | 120.1° |
| CA2 | CA3 | CA7 | 122.6° | 120.0° |
| CA2 | CA1 | CA6 | 117.7° | 119.6° |
| CA2 | CA1 | CA | 122.1° | 120.2° |
| CA4 | CA3 | CA7 | 118.6° | 120.0° |
| CA3 | CA4 | CA5 | 121.2° | 120.4° |
| CA3 | CA4 | HA4 | 119.6° | 119.8° |
| CA3 | CA7 | HA71 | 122.6° | 109.5° |
| CA3 | CA7 | HA72 | 107.5° | 109.5° |
| CA3 | CA7 | HA73 | 107.5° | 109.5° |
| CA5 | CA4 | HA4 | 119.2° | 119.8° |
| CA4 | CA5 | CA6 | 120.0° | 120.3° |
| CA4 | CA5 | HA5 | 119.7° | 119.9° |
| CA6 | CA5 | HA5 | 120.3° | 119.8° |
| CA5 | CA6 | CA1 | 121.4° | 119.9° |
| CA5 | CA6 | HA6 | 119.4° | 120.1° |
| CA1 | CA6 | HA6 | 119.2° | 120.0° |
| CA6 | CA1 | CA | 120.1° | 120.3° |
| CA1 | CA | NA | 126.6° | 120.1° |
| CA1 | CA | HA | 123.0° | 120.0° |
| NA | CA | HA | 110.4° | 120.0° |
| CA | NA | CC1 | 122.8° | 120.1° |
| NA | CC1 | CC6 | 123.5° | 120.2° |
| NA | CC1 | CC2 | 117.0° | 120.2° |
| CC6 | CC1 | CC2 | 119.5° | 119.5° |
| CC1 | CC6 | CC5 | 121.1° | 120.0° |
| CC1 | CC6 | HC6 | 119.7° | 119.9° |
| CC1 | CC2 | CC3 | 119.5° | 119.5° |
| CC1 | CC2 | NB | 116.8° | 120.2° |
| CC5 | CC6 | HC6 | 119.2° | 120.0° |
| CC6 | CC5 | CC4 | 119.3° | 120.5° |
| CC6 | CC5 | HC5 | 120.1° | 119.8° |
| CC4 | CC5 | HC5 | 120.6° | 119.7° |
| CC5 | CC4 | CC3 | 119.6° | 120.5° |
| CC5 | CC4 | HC4 | 120.3° | 119.8° |
| CC3 | CC4 | HC4 | 120.1° | 119.7° |
| CC4 | CC3 | CC2 | 121.0° | 119.9° |
| CC4 | CC3 | HC3 | 119.7° | 120.0° |
| CC2 | CC3 | HC3 | 119.3° | 120.1° |
| CC3 | CC2 | NB | 123.7° | 120.2° |
| CC2 | NB | CB | 122.8° | 120.0° |
| NB | CB | CB1 | 126.7° | 120.0° |
| NB | CB | HB | 110.5° | 120.1° |
| CB1 | CB | HB | 122.9° | 119.9° |
| CB | CB1 | CB6 | 120.0° | 120.3° |
| CB | CB1 | CB2 | 122.2° | 120.2° |
| CB6 | CB1 | CB2 | 117.8° | 119.5° |
| CB1 | CB6 | CB5 | 121.4° | 119.9° |
| CB1 | CB6 | HB6 | 119.3° | 120.0° |
| CB1 | CB2 | CB3 | 120.9° | 119.7° |
| CB1 | CB2 | OB | 121.7° | 120.1° |
| CB5 | CB6 | HB6 | 119.3° | 120.1° |
| CB6 | CB5 | CB4 | 119.9° | 120.3° |
| CB6 | CB5 | HB5 | 120.1° | 119.8° |
| CB4 | CB5 | HB5 | 120.0° | 119.9° |
| CB5 | CB4 | CB3 | 121.2° | 120.4° |
| CB5 | CB4 | HB4 | 119.2° | 119.8° |
| CB3 | CB4 | HB4 | 119.6° | 119.8° |
| CB4 | CB3 | CB2 | 118.8° | 120.1° |
| CB4 | CB3 | CB7 | 118.7° | 119.9° |
| CB2 | CB3 | CB7 | 122.5° | 120.0° |
| CB3 | CB2 | OB | 117.4° | 120.2° |
| CB3 | CB7 | HB71 | 118.6° | 109.5° |
| CB3 | CB7 | HB72 | 108.9° | 109.4° |
| CB3 | CB7 | HB73 | 108.9° | 109.4° |
| CB2 | OB | HOB | 121.7° | 106.8° |
| HB71 | CB7 | HB72 | 109.0° | 109.5° |
| HB71 | CB7 | HB73 | 108.9° | 109.5° |
| HB72 | CB7 | HB73 | 101.2° | 109.5° |
| HA71 | CA7 | HA72 | 107.6° | 109.5° |
| HA71 | CA7 | HA73 | 107.6° | 109.4° |
| HA72 | CA7 | HA73 | 102.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | CA2 | CA3 | CA1 | 179.8° | 179.4° |
| OA | CA2 | CA3 | CA4 | 179.4° | 180.0° |
| OA | CA2 | CA3 | CA7 | 1.3° | 0.3° |
| OA | CA2 | CA1 | CA6 | 179.2° | 180.0° |
| OA | CA2 | CA1 | CA | 4.5° | 0.3° |
| HOA | OA | CA2 | CA3 | 180.0° | 90.5° |
| HOA | OA | CA2 | CA1 | 0.2° | 90.1° |
| CA2 | CA3 | CA4 | CA7 | 179.4° | 179.7° |
| CA2 | CA3 | CA4 | CA5 | 0.1° | 0.3° |
| CA2 | CA3 | CA4 | HA4 | 179.9° | 179.7° |
| CA3 | CA2 | CA1 | CA6 | 0.6° | 0.6° |
| CA3 | CA2 | CA1 | CA | 175.7° | 179.8° |
| CA2 | CA3 | CA7 | HA71 | 180.0° | 90.3° |
| CA2 | CA3 | CA7 | HA72 | 54.7° | 29.7° |
| CA2 | CA3 | CA7 | HA73 | 54.7° | 149.7° |
| CA1 | CA2 | CA3 | CA4 | 0.4° | 0.6° |
| CA1 | CA2 | CA3 | CA7 | 179.0° | 179.7° |
| CA2 | CA1 | CA6 | CA5 | 0.5° | 0.3° |
| CA2 | CA1 | CA6 | CA | 176.4° | 179.7° |
| CA2 | CA1 | CA6 | HA6 | 179.5° | 179.8° |
| CA2 | CA1 | CA | NA | 4.6° | 0.3° |
| CA2 | CA1 | CA | HA | 175.4° | 179.7° |
| CA3 | CA4 | CA5 | HA4 | 180.0° | 180.0° |
| CA3 | CA4 | CA5 | CA6 | 0.0° | 0.0° |
| CA3 | CA4 | CA5 | HA5 | 180.0° | 179.9° |
| CA4 | CA3 | CA7 | HA71 | 0.7° | 90.0° |
| CA4 | CA3 | CA7 | HA72 | 124.7° | 150.0° |
| CA4 | CA3 | CA7 | HA73 | 125.9° | 30.0° |
| CA7 | CA3 | CA4 | CA5 | 179.3° | 180.0° |
| CA7 | CA3 | CA4 | HA4 | 0.7° | 0.0° |
| CA3 | CA7 | HA71 | HA72 | 125.3° | 120.1° |
| CA3 | CA7 | HA71 | HA73 | 125.3° | 120.0° |
| CA3 | CA7 | HA72 | HA73 | 113.1° | 120.0° |
| CA4 | CA5 | CA6 | HA5 | 180.0° | 179.9° |
| CA4 | CA5 | CA6 | CA1 | 0.2° | 0.0° |
| CA4 | CA5 | CA6 | HA6 | 179.8° | 179.9° |
| HA4 | CA4 | CA5 | CA6 | 180.0° | 180.0° |
| HA4 | CA4 | CA5 | HA5 | 0.0° | 0.1° |
| CA5 | CA6 | CA1 | HA6 | 180.0° | 179.9° |
| CA5 | CA6 | CA1 | CA | 175.9° | 179.9° |
| HA5 | CA5 | CA6 | CA1 | 179.8° | 179.9° |
| HA5 | CA5 | CA6 | HA6 | 0.2° | 0.0° |
| CA6 | CA1 | CA | NA | 171.7° | 180.0° |
| CA6 | CA1 | CA | HA | 8.3° | 0.1° |
| HA6 | CA6 | CA1 | CA | 4.1° | 0.1° |
| CA1 | CA | NA | HA | 180.0° | 179.9° |
| CA1 | CA | NA | CC1 | 178.7° | 174.8° |
| CA | NA | CC1 | CC6 | 14.0° | 47.6° |
| CA | NA | CC1 | CC2 | 168.3° | 132.6° |
| HA | CA | NA | CC1 | 1.3° | 5.3° |
| NA | CC1 | CC6 | CC2 | 177.7° | 179.8° |
| NA | CC1 | CC6 | CC5 | 177.1° | 180.0° |
| NA | CC1 | CC6 | HC6 | 2.9° | 0.0° |
| NA | CC1 | CC2 | CC3 | 177.2° | 179.7° |
| NA | CC1 | CC2 | NB | 2.8° | 0.3° |
| CC1 | CC6 | CC5 | HC6 | 180.0° | 180.0° |
| CC1 | CC6 | CC5 | CC4 | 0.4° | 0.1° |
| CC1 | CC6 | CC5 | HC5 | 179.6° | 180.0° |
| CC6 | CC1 | CC2 | CC3 | 0.6° | 0.5° |
| CC6 | CC1 | CC2 | NB | 179.4° | 179.9° |
| CC2 | CC1 | CC6 | CC5 | 0.6° | 0.2° |
| CC2 | CC1 | CC6 | HC6 | 179.4° | 179.8° |
| CC1 | CC2 | CC3 | CC4 | 0.5° | 0.5° |
| CC1 | CC2 | CC3 | NB | 180.0° | 179.4° |
| CC1 | CC2 | CC3 | HC3 | 179.6° | 179.6° |
| CC1 | CC2 | NB | CB | 158.2° | 132.0° |
| CC6 | CC5 | CC4 | HC5 | 180.0° | 180.0° |
| CC6 | CC5 | CC4 | CC3 | 0.3° | 0.1° |
| CC6 | CC5 | CC4 | HC4 | 179.7° | 180.0° |
| HC6 | CC6 | CC5 | CC4 | 179.6° | 180.0° |
| HC6 | CC6 | CC5 | HC5 | 0.4° | 0.0° |
| CC5 | CC4 | CC3 | HC4 | 180.0° | 180.0° |
| CC5 | CC4 | CC3 | CC2 | 0.3° | 0.3° |
| CC5 | CC4 | CC3 | HC3 | 179.7° | 179.9° |
| HC5 | CC5 | CC4 | CC3 | 179.7° | 180.0° |
| HC5 | CC5 | CC4 | HC4 | 0.3° | 0.0° |
| CC4 | CC3 | CC2 | HC3 | 180.0° | 179.8° |
| CC4 | CC3 | CC2 | NB | 179.5° | 180.0° |
| HC4 | CC4 | CC3 | CC2 | 179.7° | 179.7° |
| HC4 | CC4 | CC3 | HC3 | 0.3° | 0.1° |
| CC3 | CC2 | NB | CB | 21.8° | 47.4° |
| HC3 | CC3 | CC2 | NB | 0.4° | 0.2° |
| CC2 | NB | CB | CB1 | 179.2° | 175.1° |
| CC2 | NB | CB | HB | 0.7° | 4.9° |
| NB | CB | CB1 | HB | 179.9° | 180.0° |
| NB | CB | CB1 | CB6 | 178.8° | 180.0° |
| NB | CB | CB1 | CB2 | 3.4° | 0.3° |
| CB | CB1 | CB6 | CB2 | 177.9° | 179.7° |
| CB | CB1 | CB6 | CB5 | 178.0° | 180.0° |
| CB | CB1 | CB6 | HB6 | 2.0° | 0.0° |
| CB | CB1 | CB2 | CB3 | 177.8° | 179.7° |
| CB | CB1 | CB2 | OB | 3.6° | 0.3° |
| HB | CB | CB1 | CB6 | 1.3° | 0.0° |
| HB | CB | CB1 | CB2 | 176.5° | 179.7° |
| CB1 | CB6 | CB5 | HB6 | 179.9° | 180.0° |
| CB1 | CB6 | CB5 | CB4 | 0.3° | 0.0° |
| CB1 | CB6 | CB5 | HB5 | 179.8° | 180.0° |
| CB6 | CB1 | CB2 | CB3 | 0.1° | 0.5° |
| CB6 | CB1 | CB2 | OB | 178.6° | 179.9° |
| CB2 | CB1 | CB6 | CB5 | 0.1° | 0.2° |
| CB2 | CB1 | CB6 | HB6 | 179.9° | 179.8° |
| CB1 | CB2 | CB3 | CB4 | 0.0° | 0.6° |
| CB1 | CB2 | CB3 | OB | 178.7° | 179.4° |
| CB1 | CB2 | CB3 | CB7 | 179.2° | 179.8° |
| CB1 | CB2 | OB | HOB | 179.9° | 90.6° |
| CB6 | CB5 | CB4 | HB5 | 180.0° | 180.0° |
| CB6 | CB5 | CB4 | CB3 | 0.3° | 0.1° |
| CB6 | CB5 | CB4 | HB4 | 179.7° | 180.0° |
| HB6 | CB6 | CB5 | CB4 | 179.7° | 180.0° |
| HB6 | CB6 | CB5 | HB5 | 0.3° | 0.0° |
| CB5 | CB4 | CB3 | HB4 | 180.0° | 179.9° |
| CB5 | CB4 | CB3 | CB2 | 0.2° | 0.4° |
| CB5 | CB4 | CB3 | CB7 | 179.4° | 180.0° |
| HB5 | CB5 | CB4 | CB3 | 179.7° | 179.9° |
| HB5 | CB5 | CB4 | HB4 | 0.3° | 0.0° |
| CB4 | CB3 | CB2 | CB7 | 179.2° | 179.6° |
| CB4 | CB3 | CB2 | OB | 178.7° | 180.0° |
| CB4 | CB3 | CB7 | HB71 | 179.9° | 90.0° |
| CB4 | CB3 | CB7 | HB72 | 54.7° | 150.0° |
| CB4 | CB3 | CB7 | HB73 | 54.8° | 30.0° |
| HB4 | CB4 | CB3 | CB2 | 179.8° | 179.7° |
| HB4 | CB4 | CB3 | CB7 | 0.6° | 0.1° |
| CB3 | CB2 | OB | HOB | 1.4° | 90.0° |
| CB2 | CB3 | CB7 | HB71 | 0.7° | 89.6° |
| CB2 | CB3 | CB7 | HB72 | 126.1° | 30.4° |
| CB2 | CB3 | CB7 | HB73 | 124.4° | 150.3° |
| CB7 | CB3 | CB2 | OB | 2.1° | 0.4° |
| CB3 | CB7 | HB71 | HB72 | 125.3° | 120.0° |
| CB3 | CB7 | HB71 | HB73 | 125.2° | 120.0° |
| CB3 | CB7 | HB72 | HB73 | 114.6° | 119.9° |
| HB71 | CB7 | HB72 | HB73 | 114.7° | 120.0° |
| HA71 | CA7 | HA72 | HA73 | 113.1° | 119.9° |
