65T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXY | C | sing | 1.35Å | 1.36Å | |
| C11 | C01 | sing | 1.51Å | 1.51Å | |
| C11 | O4 | sing | 1.43Å | 1.44Å | |
| N3 | O4 | sing | 1.42Å | 1.41Å | |
| N3 | CA | doub | 1.29Å | 1.27Å | |
| C | CA | sing | 1.47Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | S07 | sing | 1.76Å | 1.77Å | |
| NP0 | S07 | sing | 1.66Å | 1.59Å | |
| O09 | S07 | doub | 1.42Å | 1.44Å | |
| S07 | O08 | doub | 1.42Å | 1.44Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| NP0 | HP01 | sing | 0.97Å | 1.00Å | |
| NP0 | HP02 | sing | 0.97Å | 1.00Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| OXY | HXY | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXY | C | CA | 121.0° | 120.0° |
| OXY | C | O | 122.7° | 120.0° |
| C | OXY | HXY | 109.5° | 117.0° |
| C01 | C11 | O4 | 107.5° | 109.4° |
| C11 | C01 | C02 | 120.9° | 119.9° |
| C11 | C01 | C06 | 120.6° | 120.0° |
| C01 | C11 | H3 | 110.0° | 109.5° |
| C01 | C11 | H4 | 109.9° | 109.4° |
| C11 | O4 | N3 | 109.1° | 114.0° |
| O4 | C11 | H3 | 110.0° | 109.5° |
| O4 | C11 | H4 | 110.0° | 109.5° |
| O4 | N3 | CA | 112.4° | 120.1° |
| N3 | CA | C | 120.4° | 120.1° |
| N3 | CA | H2 | 119.8° | 120.0° |
| CA | C | O | 116.3° | 120.0° |
| C | CA | H2 | 119.8° | 120.0° |
| C02 | C01 | C06 | 118.5° | 120.0° |
| C01 | C02 | C03 | 121.3° | 120.0° |
| C01 | C02 | H02 | 119.4° | 120.0° |
| C01 | C06 | C05 | 120.9° | 120.0° |
| C01 | C06 | H06 | 119.6° | 120.0° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C03 | C02 | H02 | 119.4° | 120.0° |
| C02 | C03 | H03 | 120.1° | 120.0° |
| C06 | C05 | C04 | 120.0° | 120.0° |
| C06 | C05 | H05 | 120.0° | 120.0° |
| C05 | C06 | H06 | 119.5° | 120.0° |
| C03 | C04 | C05 | 119.6° | 120.0° |
| C03 | C04 | S07 | 120.8° | 120.0° |
| C04 | C03 | H03 | 120.1° | 120.0° |
| C05 | C04 | S07 | 119.6° | 120.0° |
| C04 | C05 | H05 | 120.0° | 120.0° |
| C04 | S07 | NP0 | 107.3° | 107.2° |
| C04 | S07 | O09 | 105.7° | 106.4° |
| C04 | S07 | O08 | 106.2° | 106.4° |
| NP0 | S07 | O09 | 110.5° | 106.4° |
| NP0 | S07 | O08 | 109.6° | 106.4° |
| S07 | NP0 | HP01 | 109.5° | 120.0° |
| S07 | NP0 | HP02 | 109.5° | 120.0° |
| O09 | S07 | O08 | 117.0° | 123.1° |
| HP01 | NP0 | HP02 | 109.4° | 120.0° |
| H3 | C11 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXY | C | CA | N3 | 7.7° | 180.0° |
| OXY | C | CA | O | 178.2° | 180.0° |
| OXY | C | CA | H2 | 172.3° | 0.0° |
| C01 | C11 | O4 | H3 | 119.7° | 120.0° |
| C01 | C11 | O4 | H4 | 119.7° | 119.9° |
| C01 | C11 | O4 | N3 | 162.1° | 180.0° |
| C11 | C01 | C02 | C06 | 179.1° | 179.7° |
| C11 | C01 | C02 | C03 | 179.0° | 180.0° |
| C11 | C01 | C06 | C05 | 179.0° | 179.8° |
| C11 | C01 | C02 | H02 | 1.1° | 0.1° |
| C11 | C01 | C06 | H06 | 1.0° | 0.1° |
| C01 | C11 | H3 | H4 | 120.9° | 120.0° |
| C11 | O4 | N3 | CA | 175.3° | 180.0° |
| O4 | C11 | C01 | C02 | 104.7° | 90.1° |
| O4 | C11 | C01 | C06 | 76.2° | 90.3° |
| O4 | C11 | H3 | H4 | 120.9° | 120.0° |
| O4 | N3 | CA | C | 171.8° | 180.0° |
| O4 | N3 | CA | H2 | 8.2° | 0.0° |
| N3 | O4 | C11 | H3 | 42.4° | 60.0° |
| N3 | O4 | C11 | H4 | 78.2° | 60.1° |
| N3 | CA | C | H2 | 180.0° | 180.0° |
| N3 | CA | C | O | 174.1° | 0.0° |
| CA | C | OXY | HXY | 178.2° | 180.0° |
| O | C | OXY | HXY | 0.0° | 0.1° |
| O | C | CA | H2 | 5.9° | 180.0° |
| C01 | C02 | C03 | H02 | 180.0° | 179.9° |
| C02 | C01 | C06 | C05 | 0.1° | 0.5° |
| C01 | C02 | C03 | C04 | 0.8° | 0.1° |
| C01 | C02 | C03 | H03 | 179.2° | 179.9° |
| C02 | C01 | C06 | H06 | 179.9° | 179.7° |
| C02 | C01 | C11 | H3 | 135.6° | 29.9° |
| C02 | C01 | C11 | H4 | 15.0° | 150.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.3° |
| C01 | C06 | C05 | H06 | 180.0° | 179.8° |
| C01 | C06 | C05 | C04 | 0.8° | 0.4° |
| C06 | C01 | C02 | H02 | 179.9° | 179.7° |
| C01 | C06 | C05 | H05 | 179.3° | 179.7° |
| C06 | C01 | C11 | H3 | 43.5° | 149.7° |
| C06 | C01 | C11 | H4 | 164.1° | 29.7° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.7° | 0.0° |
| C02 | C03 | C04 | S07 | 179.5° | 180.0° |
| C06 | C05 | C04 | C03 | 1.7° | 0.2° |
| C06 | C05 | C04 | H05 | 180.0° | 179.8° |
| C06 | C05 | C04 | S07 | 179.5° | 179.8° |
| C03 | C04 | C05 | S07 | 177.8° | 180.0° |
| C03 | C04 | S07 | NP0 | 130.7° | 90.0° |
| C03 | C04 | S07 | O09 | 12.8° | 156.4° |
| C03 | C04 | S07 | O08 | 112.2° | 23.6° |
| C04 | C03 | C02 | H02 | 179.2° | 180.0° |
| C03 | C04 | C05 | H05 | 178.3° | 180.0° |
| C05 | C04 | S07 | NP0 | 51.5° | 90.0° |
| C05 | C04 | S07 | O09 | 169.4° | 23.6° |
| C05 | C04 | S07 | O08 | 65.6° | 156.4° |
| C05 | C04 | C03 | H03 | 178.3° | 180.0° |
| C04 | C05 | C06 | H06 | 179.2° | 179.8° |
| C04 | S07 | NP0 | O09 | 114.7° | 113.6° |
| C04 | S07 | NP0 | O08 | 114.9° | 113.6° |
| C04 | S07 | O09 | O08 | 118.0° | 122.9° |
| S07 | C04 | C03 | H03 | 0.5° | 0.0° |
| C04 | S07 | NP0 | HP01 | 180.0° | 0.0° |
| C04 | S07 | NP0 | HP02 | 60.0° | 180.0° |
| S07 | C04 | C05 | H05 | 0.5° | 0.0° |
| NP0 | S07 | O09 | O08 | 126.3° | 123.0° |
| S07 | NP0 | HP01 | HP02 | 120.0° | 179.9° |
| O09 | S07 | NP0 | HP01 | 65.2° | 113.5° |
| O09 | S07 | NP0 | HP02 | 54.7° | 66.4° |
| O08 | S07 | NP0 | HP01 | 65.1° | 113.6° |
| O08 | S07 | NP0 | HP02 | 174.9° | 66.5° |
| H02 | C02 | C03 | H03 | 0.8° | 0.0° |
| H05 | C05 | C06 | H06 | 0.8° | 0.0° |
