YOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA4 | CA5 | sing | 1.38Å | 1.41Å | Aromatic |
| CA4 | CA3 | doub | 1.38Å | 1.42Å | Aromatic |
| CA4 | HA4 | sing | 0.94Å | 1.08Å | |
| CA5 | CA6 | doub | 1.38Å | 1.43Å | Aromatic |
| CA5 | HA5 | sing | 0.94Å | 1.08Å | |
| CA6 | CA1 | sing | 1.40Å | 1.42Å | Aromatic |
| CA6 | HA6 | sing | 0.94Å | 1.08Å | |
| CA1 | CA | sing | 1.44Å | 1.44Å | |
| CA1 | CA2 | doub | 1.40Å | 1.46Å | Aromatic |
| CA | NA | doub | 1.26Å | 1.30Å | |
| CA | HA | sing | 0.94Å | 1.08Å | |
| NA | CC1 | sing | 1.41Å | 1.43Å | |
| NA | FE | sing | 2.36Å | 2.06Å | |
| CC1 | CC6 | doub | 1.40Å | 1.42Å | Aromatic |
| CC1 | CC2 | sing | 1.40Å | 1.43Å | Aromatic |
| CC6 | CC5 | sing | 1.38Å | 1.43Å | Aromatic |
| CC6 | HC6 | sing | 0.94Å | 1.08Å | |
| CA3 | CA2 | sing | 1.42Å | 1.43Å | Aromatic |
| CA3 | HA3 | sing | 0.94Å | 1.08Å | |
| CA2 | OA | sing | 1.26Å | 1.36Å | |
| OA | FE | sing | 1.82Å | 2.10Å | |
| FE | NB | sing | 2.33Å | 2.21Å | |
| FE | OB | sing | 1.83Å | 2.01Å | |
| NB | CC2 | sing | 1.41Å | 1.36Å | |
| NB | CB | doub | 1.26Å | 1.31Å | |
| CC2 | CC3 | doub | 1.40Å | 1.45Å | Aromatic |
| CC3 | CC4 | sing | 1.38Å | 1.41Å | Aromatic |
| CC3 | HC3 | sing | 0.94Å | 1.08Å | |
| CC4 | CC5 | doub | 1.38Å | 1.44Å | Aromatic |
| CC4 | HC4 | sing | 0.94Å | 1.08Å | |
| CC5 | HC5 | sing | 0.94Å | 1.08Å | |
| OB | CB2 | sing | 1.27Å | 1.37Å | |
| CB2 | CB1 | sing | 1.40Å | 1.48Å | Aromatic |
| CB2 | CB3 | doub | 1.42Å | 1.44Å | Aromatic |
| CB1 | CB | sing | 1.44Å | 1.43Å | |
| CB1 | CB6 | doub | 1.40Å | 1.42Å | Aromatic |
| CB | HB | sing | 0.94Å | 1.08Å | |
| CB6 | CB5 | sing | 1.38Å | 1.40Å | Aromatic |
| CB6 | HB6 | sing | 0.94Å | 1.08Å | |
| CB5 | CB4 | doub | 1.38Å | 1.42Å | Aromatic |
| CB5 | HB5 | sing | 0.94Å | 1.08Å | |
| CB4 | CB3 | sing | 1.39Å | 1.42Å | Aromatic |
| CB4 | HB4 | sing | 0.94Å | 1.08Å | |
| CB3 | HB3 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA5 | CA4 | CA3 | 123.9° | 120.6° |
| CA5 | CA4 | HA4 | 118.1° | 119.9° |
| CA4 | CA5 | CA6 | 118.6° | 119.6° |
| CA4 | CA5 | HA5 | 120.7° | 120.3° |
| CA3 | CA4 | HA4 | 118.0° | 119.6° |
| CA4 | CA3 | CA2 | 116.7° | 121.0° |
| CA4 | CA3 | HA3 | 121.6° | 119.9° |
| CA6 | CA5 | HA5 | 120.7° | 120.1° |
| CA5 | CA6 | CA1 | 120.3° | 120.0° |
| CA5 | CA6 | HA6 | 119.8° | 119.4° |
| CA1 | CA6 | HA6 | 119.9° | 118.9° |
| CA6 | CA1 | CA | 117.6° | 123.0° |
| CA6 | CA1 | CA2 | 119.4° | 119.9° |
| CA | CA1 | CA2 | 122.9° | 114.3° |
| CA1 | CA | NA | 127.1° | 120.2° |
| CA1 | CA | HA | 116.5° | 119.6° |
| CA1 | CA2 | CA3 | 121.0° | 117.3° |
| CA1 | CA2 | OA | 120.9° | 118.0° |
| NA | CA | HA | 116.5° | 120.2° |
| CA | NA | CC1 | 116.3° | 135.5° |
| CA | NA | FE | 127.3° | 85.4° |
| CC1 | NA | FE | 116.4° | 118.1° |
| NA | CC1 | CC6 | 130.1° | 129.9° |
| NA | CC1 | CC2 | 112.0° | 110.2° |
| NA | FE | OA | 85.0° | 98.9° |
| NA | FE | NB | 74.2° | 61.2° |
| NA | FE | OB | 158.7° | 161.9° |
| CC6 | CC1 | CC2 | 117.9° | 119.1° |
| CC1 | CC6 | CC5 | 119.3° | 120.3° |
| CC1 | CC6 | HC6 | 120.4° | 119.3° |
| CC1 | CC2 | NB | 116.6° | 110.5° |
| CC1 | CC2 | CC3 | 123.0° | 119.5° |
| CC5 | CC6 | HC6 | 120.4° | 120.1° |
| CC6 | CC5 | CC4 | 123.1° | 120.2° |
| CC6 | CC5 | HC5 | 118.4° | 119.8° |
| CA2 | CA3 | HA3 | 121.6° | 119.1° |
| CA3 | CA2 | OA | 118.1° | 124.7° |
| CA2 | OA | FE | 126.0° | 100.1° |
| OA | FE | NB | 124.8° | 160.1° |
| OA | FE | OB | 96.4° | 99.2° |
| NB | FE | OB | 87.9° | 100.6° |
| FE | NB | CC2 | 111.9° | 117.2° |
| FE | NB | CB | 116.4° | 84.2° |
| FE | OB | CB2 | 127.0° | 106.2° |
| CC2 | NB | CB | 126.9° | 136.0° |
| NB | CC2 | CC3 | 120.4° | 129.9° |
| NB | CB | CB1 | 130.7° | 119.7° |
| NB | CB | HB | 114.7° | 120.5° |
| CC2 | CC3 | CC4 | 118.8° | 120.3° |
| CC2 | CC3 | HC3 | 120.6° | 119.5° |
| CC4 | CC3 | HC3 | 120.6° | 120.2° |
| CC3 | CC4 | CC5 | 117.9° | 120.1° |
| CC3 | CC4 | HC4 | 121.0° | 119.8° |
| CC5 | CC4 | HC4 | 121.0° | 120.1° |
| CC4 | CC5 | HC5 | 118.4° | 120.0° |
| OB | CB2 | CB1 | 123.6° | 116.4° |
| OB | CB2 | CB3 | 116.5° | 125.4° |
| CB1 | CB2 | CB3 | 119.9° | 116.9° |
| CB2 | CB1 | CB | 121.7° | 115.2° |
| CB2 | CB1 | CB6 | 116.4° | 120.9° |
| CB2 | CB3 | CB4 | 121.3° | 121.0° |
| CB2 | CB3 | HB3 | 119.4° | 119.1° |
| CB | CB1 | CB6 | 121.9° | 122.8° |
| CB1 | CB | HB | 114.7° | 119.9° |
| CB1 | CB6 | CB5 | 122.5° | 120.1° |
| CB1 | CB6 | HB6 | 118.7° | 119.7° |
| CB5 | CB6 | HB6 | 118.7° | 120.2° |
| CB6 | CB5 | CB4 | 121.7° | 119.6° |
| CB6 | CB5 | HB5 | 119.1° | 120.1° |
| CB4 | CB5 | HB5 | 119.2° | 120.2° |
| CB5 | CB4 | CB3 | 118.2° | 120.7° |
| CB5 | CB4 | HB4 | 120.9° | 119.8° |
| CB3 | CB4 | HB4 | 120.9° | 119.5° |
| CB4 | CB3 | HB3 | 119.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA5 | CA4 | CA3 | HA4 | 180.0° | 179.9° |
| CA4 | CA5 | CA6 | HA5 | 180.0° | 177.7° |
| CA4 | CA5 | CA6 | CA1 | 0.1° | 10.4° |
| CA4 | CA5 | CA6 | HA6 | 179.9° | 176.0° |
| CA5 | CA4 | CA3 | CA2 | 0.6° | 0.4° |
| CA5 | CA4 | CA3 | HA3 | 179.4° | 179.8° |
| CA3 | CA4 | CA5 | CA6 | 0.7° | 2.5° |
| CA3 | CA4 | CA5 | HA5 | 179.3° | 179.8° |
| CA4 | CA3 | CA2 | CA1 | 0.1° | 4.5° |
| CA4 | CA3 | CA2 | HA3 | 180.0° | 179.8° |
| CA4 | CA3 | CA2 | OA | 179.3° | 177.7° |
| HA4 | CA4 | CA5 | CA6 | 179.3° | 177.4° |
| HA4 | CA4 | CA5 | HA5 | 0.7° | 0.2° |
| HA4 | CA4 | CA3 | CA2 | 179.4° | 179.7° |
| HA4 | CA4 | CA3 | HA3 | 0.6° | 0.1° |
| CA5 | CA6 | CA1 | HA6 | 180.0° | 165.6° |
| CA5 | CA6 | CA1 | CA | 179.6° | 175.5° |
| CA5 | CA6 | CA1 | CA2 | 0.6° | 15.5° |
| HA5 | CA5 | CA6 | CA1 | 179.9° | 171.9° |
| HA5 | CA5 | CA6 | HA6 | 0.1° | 6.4° |
| CA6 | CA1 | CA | CA2 | 179.8° | 161.0° |
| CA6 | CA1 | CA | NA | 168.6° | 71.8° |
| CA6 | CA1 | CA | HA | 11.4° | 108.2° |
| CA6 | CA1 | CA2 | CA3 | 0.7° | 12.3° |
| CA6 | CA1 | CA2 | OA | 179.9° | 169.7° |
| HA6 | CA6 | CA1 | CA | 0.4° | 18.9° |
| HA6 | CA6 | CA1 | CA2 | 179.5° | 178.9° |
| CA1 | CA | NA | HA | 180.0° | 179.9° |
| CA1 | CA | NA | CC1 | 170.9° | 167.5° |
| CA1 | CA | NA | FE | 8.6° | 66.1° |
| CA | CA1 | CA2 | CA3 | 179.5° | 173.9° |
| CA | CA1 | CA2 | OA | 0.3° | 8.0° |
| CA2 | CA1 | CA | NA | 11.2° | 89.2° |
| CA2 | CA1 | CA | HA | 168.7° | 90.8° |
| CA1 | CA2 | CA3 | OA | 179.2° | 177.9° |
| CA1 | CA2 | CA3 | HA3 | 179.9° | 175.3° |
| CA1 | CA2 | OA | FE | 29.6° | 66.2° |
| CA | NA | CC1 | FE | 179.5° | 114.5° |
| CA | NA | CC1 | CC6 | 24.5° | 23.9° |
| CA | NA | CC1 | CC2 | 155.5° | 144.9° |
| CA | NA | FE | OA | 25.0° | 0.4° |
| CA | NA | FE | NB | 153.4° | 178.1° |
| CA | NA | FE | OB | 119.8° | 178.2° |
| HA | CA | NA | CC1 | 9.1° | 12.4° |
| HA | CA | NA | FE | 171.5° | 113.9° |
| NA | CC1 | CC6 | CC2 | 179.9° | 168.0° |
| NA | CC1 | CC6 | CC5 | 179.0° | 176.3° |
| NA | CC1 | CC6 | HC6 | 1.0° | 10.1° |
| CC1 | NA | FE | OA | 154.5° | 140.6° |
| CC1 | NA | FE | NB | 26.1° | 37.9° |
| CC1 | NA | FE | OB | 59.7° | 38.0° |
| NA | CC1 | CC2 | NB | 0.9° | 6.2° |
| NA | CC1 | CC2 | CC3 | 179.1° | 178.2° |
| FE | NA | CC1 | CC6 | 156.0° | 138.4° |
| FE | NA | CC1 | CC2 | 24.0° | 30.4° |
| NA | FE | OA | CA2 | 35.7° | 59.4° |
| NA | FE | OA | NB | 66.8° | 3.7° |
| NA | FE | OA | OB | 158.7° | 179.6° |
| NA | FE | NB | OB | 168.4° | 180.0° |
| NA | FE | NB | CC2 | 24.7° | 41.5° |
| NA | FE | NB | CB | 132.6° | 179.0° |
| NA | FE | OB | CB2 | 2.0° | 55.9° |
| CC1 | CC6 | CC5 | HC6 | 180.0° | 173.6° |
| CC6 | CC1 | CC2 | NB | 179.0° | 176.4° |
| CC6 | CC1 | CC2 | CC3 | 1.0° | 8.0° |
| CC1 | CC6 | CC5 | CC4 | 1.0° | 4.9° |
| CC1 | CC6 | CC5 | HC5 | 179.0° | 176.3° |
| CC2 | CC1 | CC6 | CC5 | 1.0° | 8.3° |
| CC2 | CC1 | CC6 | HC6 | 179.0° | 178.1° |
| CC1 | CC2 | NB | FE | 20.1° | 41.5° |
| CC1 | CC2 | NB | CC3 | 180.0° | 174.9° |
| CC1 | CC2 | NB | CB | 134.3° | 153.1° |
| CC1 | CC2 | CC3 | CC4 | 0.9° | 4.4° |
| CC1 | CC2 | CC3 | HC3 | 179.2° | 176.6° |
| CC6 | CC5 | CC4 | CC3 | 0.9° | 1.1° |
| CC6 | CC5 | CC4 | HC5 | 180.0° | 178.9° |
| CC6 | CC5 | CC4 | HC4 | 179.1° | 178.9° |
| HC6 | CC6 | CC5 | CC4 | 179.0° | 178.4° |
| HC6 | CC6 | CC5 | HC5 | 1.0° | 2.7° |
| CA3 | CA2 | OA | FE | 151.2° | 116.0° |
| HA3 | CA3 | CA2 | OA | 0.7° | 2.6° |
| CA2 | OA | FE | NB | 102.4° | 63.1° |
| CA2 | OA | FE | OB | 165.7° | 121.0° |
| OA | FE | NB | OB | 96.3° | 175.8° |
| OA | FE | NB | CC2 | 96.8° | 37.3° |
| OA | FE | NB | CB | 60.5° | 176.8° |
| OA | FE | OB | CB2 | 94.6° | 125.5° |
| FE | NB | CC2 | CB | 154.4° | 111.6° |
| FE | NB | CC2 | CC3 | 159.9° | 143.5° |
| NB | FE | OB | CB2 | 30.2° | 55.9° |
| FE | NB | CB | CB1 | 33.9° | 65.0° |
| FE | NB | CB | HB | 146.1° | 114.9° |
| OB | FE | NB | CC2 | 166.9° | 138.5° |
| OB | FE | NB | CB | 35.8° | 1.0° |
| FE | OB | CB2 | CB1 | 17.5° | 48.7° |
| FE | OB | CB2 | CB3 | 161.4° | 118.2° |
| NB | CC2 | CC3 | CC4 | 179.1° | 179.0° |
| NB | CC2 | CC3 | HC3 | 0.8° | 2.0° |
| CC2 | NB | CB | CB1 | 172.7° | 171.2° |
| CC2 | NB | CB | HB | 7.3° | 8.8° |
| CB | NB | CC2 | CC3 | 45.7° | 31.9° |
| NB | CB | CB1 | CB2 | 10.7° | 101.3° |
| NB | CB | CB1 | HB | 180.0° | 180.0° |
| NB | CB | CB1 | CB6 | 168.5° | 90.9° |
| CC2 | CC3 | CC4 | HC3 | 180.0° | 179.0° |
| CC2 | CC3 | CC4 | CC5 | 0.8° | 0.9° |
| CC2 | CC3 | CC4 | HC4 | 179.2° | 179.1° |
| CC3 | CC4 | CC5 | HC4 | 180.0° | 179.9° |
| CC3 | CC4 | CC5 | HC5 | 179.1° | 180.0° |
| HC3 | CC3 | CC4 | CC5 | 179.3° | 179.9° |
| HC3 | CC3 | CC4 | HC4 | 0.8° | 0.2° |
| HC4 | CC4 | CC5 | HC5 | 0.9° | 0.0° |
| OB | CB2 | CB1 | CB3 | 178.8° | 168.0° |
| OB | CB2 | CB1 | CB | 1.5° | 13.0° |
| OB | CB2 | CB1 | CB6 | 179.3° | 178.9° |
| OB | CB2 | CB3 | CB4 | 179.4° | 174.8° |
| OB | CB2 | CB3 | HB3 | 0.6° | 8.0° |
| CB2 | CB1 | CB | CB6 | 179.2° | 167.9° |
| CB2 | CB1 | CB | HB | 169.3° | 78.7° |
| CB2 | CB1 | CB6 | CB5 | 0.1° | 8.6° |
| CB2 | CB1 | CB6 | HB6 | 179.9° | 174.6° |
| CB1 | CB2 | CB3 | CB4 | 0.5° | 8.0° |
| CB1 | CB2 | CB3 | HB3 | 179.5° | 174.8° |
| CB3 | CB2 | CB1 | CB | 179.7° | 179.0° |
| CB3 | CB2 | CB1 | CB6 | 0.5° | 10.9° |
| CB2 | CB3 | CB4 | CB5 | 0.1° | 2.8° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 177.2° |
| CB2 | CB3 | CB4 | HB4 | 180.0° | 177.2° |
| CB | CB1 | CB6 | CB5 | 179.1° | 175.8° |
| CB | CB1 | CB6 | HB6 | 0.9° | 7.4° |
| CB6 | CB1 | CB | HB | 11.5° | 89.2° |
| CB1 | CB6 | CB5 | HB6 | 180.0° | 176.7° |
| CB1 | CB6 | CB5 | CB4 | 0.6° | 3.0° |
| CB1 | CB6 | CB5 | HB5 | 179.3° | 177.1° |
| CB6 | CB5 | CB4 | HB5 | 180.0° | 179.9° |
| CB6 | CB5 | CB4 | CB3 | 0.6° | 0.1° |
| CB6 | CB5 | CB4 | HB4 | 179.4° | 179.8° |
| HB6 | CB6 | CB5 | CB4 | 179.4° | 179.7° |
| HB6 | CB6 | CB5 | HB5 | 0.7° | 0.4° |
| CB5 | CB4 | CB3 | HB4 | 180.0° | 179.9° |
| CB5 | CB4 | CB3 | HB3 | 179.9° | 179.9° |
| HB5 | CB5 | CB4 | CB3 | 179.4° | 180.0° |
| HB5 | CB5 | CB4 | HB4 | 0.6° | 0.1° |
| HB4 | CB4 | CB3 | HB3 | 0.0° | 0.0° |
