T2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | CA | sing | 1.53Å | 1.53Å | |
| O28 | CA | sing | 1.43Å | 1.40Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.18Å | |
| C | OXT | sing | 1.34Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| O28 | H | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C34 | 111.7° | 109.5° |
| C33 | C32 | C31 | 112.5° | 109.5° |
| C33 | C32 | H321 | 107.7° | 109.4° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.4° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| C34 | C32 | C31 | 109.7° | 109.5° |
| C34 | C32 | H321 | 107.5° | 109.5° |
| C32 | C34 | H341 | 109.5° | 109.5° |
| C32 | C34 | H342 | 109.5° | 109.5° |
| C32 | C34 | H343 | 109.5° | 109.5° |
| C32 | C31 | C30 | 114.2° | 109.5° |
| C32 | C31 | H311 | 108.3° | 109.5° |
| C32 | C31 | H312 | 108.3° | 109.5° |
| C31 | C32 | H321 | 107.6° | 109.5° |
| C31 | C30 | CA | 110.9° | 109.4° |
| C31 | C30 | H302 | 109.1° | 109.5° |
| C31 | C30 | H301 | 109.1° | 109.4° |
| C30 | C31 | H311 | 108.3° | 109.5° |
| C30 | C31 | H312 | 108.3° | 109.5° |
| C30 | CA | O28 | 105.6° | 109.5° |
| C30 | CA | C | 108.9° | 109.4° |
| C30 | CA | HA | 109.8° | 109.5° |
| CA | C30 | H302 | 109.1° | 109.5° |
| CA | C30 | H301 | 109.1° | 109.5° |
| O28 | CA | C | 111.2° | 109.5° |
| O28 | CA | HA | 111.7° | 109.5° |
| CA | O28 | H | 109.5° | 114.1° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 121.5° | 120.0° |
| C | CA | HA | 109.5° | 109.5° |
| O | C | OXT | 119.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H333 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C34 | C31 | 125.4° | 120.0° |
| C33 | C32 | C34 | H321 | 117.9° | 119.9° |
| C33 | C32 | C31 | H321 | 118.4° | 120.0° |
| C33 | C32 | C31 | C30 | 47.0° | 65.0° |
| C33 | C32 | C31 | H311 | 167.7° | 55.0° |
| C33 | C32 | C31 | H312 | 73.7° | 175.0° |
| C32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 120.0° | 120.0° |
| C32 | C33 | H333 | H332 | 120.0° | 120.0° |
| C33 | C32 | C34 | H341 | 180.0° | 179.9° |
| C33 | C32 | C34 | H342 | 60.0° | 60.0° |
| C33 | C32 | C34 | H343 | 60.0° | 60.0° |
| C34 | C32 | C31 | H321 | 116.7° | 120.0° |
| C34 | C32 | C31 | C30 | 78.0° | 175.0° |
| C34 | C32 | C31 | H311 | 42.8° | 65.0° |
| C34 | C32 | C31 | H312 | 161.4° | 55.0° |
| C34 | C32 | C33 | H331 | 180.0° | 60.0° |
| C34 | C32 | C33 | H333 | 60.0° | 60.0° |
| C34 | C32 | C33 | H332 | 60.0° | 180.0° |
| C32 | C34 | H341 | H342 | 120.0° | 120.0° |
| C32 | C34 | H341 | H343 | 120.0° | 120.1° |
| C32 | C34 | H342 | H343 | 120.0° | 120.0° |
| C32 | C31 | C30 | H311 | 120.7° | 120.0° |
| C32 | C31 | C30 | H312 | 120.7° | 120.0° |
| C32 | C31 | C30 | CA | 121.4° | 180.0° |
| C32 | C31 | C30 | H302 | 118.4° | 60.0° |
| C32 | C31 | C30 | H301 | 1.2° | 60.0° |
| C32 | C31 | H311 | H312 | 117.8° | 120.0° |
| C31 | C32 | C33 | H331 | 56.1° | 60.0° |
| C31 | C32 | C33 | H333 | 176.2° | 180.0° |
| C31 | C32 | C33 | H332 | 63.9° | 60.0° |
| C31 | C32 | C34 | H341 | 54.5° | 60.0° |
| C31 | C32 | C34 | H342 | 65.4° | 180.0° |
| C31 | C32 | C34 | H343 | 174.6° | 60.0° |
| C31 | C30 | CA | H302 | 120.2° | 120.0° |
| C31 | C30 | CA | H301 | 120.2° | 119.9° |
| C31 | C30 | CA | O28 | 41.4° | 65.0° |
| C31 | C30 | CA | C | 78.1° | 175.0° |
| C31 | C30 | CA | HA | 162.0° | 55.1° |
| C31 | C30 | H302 | H301 | 119.3° | 120.0° |
| C30 | C31 | H311 | H312 | 117.8° | 120.0° |
| C30 | C31 | C32 | H321 | 165.4° | 55.0° |
| C30 | CA | O28 | C | 118.0° | 119.9° |
| C30 | CA | O28 | HA | 119.4° | 120.0° |
| C30 | CA | C | HA | 120.1° | 120.0° |
| C30 | CA | C | O | 87.4° | 115.1° |
| C30 | CA | C | OXT | 91.6° | 65.0° |
| CA | C30 | H302 | H301 | 119.4° | 120.1° |
| CA | C30 | C31 | H311 | 0.7° | 60.0° |
| CA | C30 | C31 | H312 | 117.9° | 60.0° |
| C30 | CA | O28 | H | 105.9° | 60.0° |
| O28 | CA | C | HA | 123.9° | 120.1° |
| O28 | CA | C | O | 28.6° | 4.9° |
| O28 | CA | C | OXT | 152.4° | 175.0° |
| O28 | CA | C30 | H302 | 161.6° | 175.0° |
| O28 | CA | C30 | H301 | 78.8° | 54.9° |
| CA | C | O | OXT | 179.0° | 180.0° |
| C | CA | C30 | H302 | 42.1° | 55.0° |
| C | CA | C30 | H301 | 161.7° | 65.1° |
| C | CA | O28 | H | 12.1° | 60.0° |
| CA | C | OXT | HXT | 179.0° | 180.0° |
| O | C | CA | HA | 152.5° | 125.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 28.5° | 55.0° |
| HA | CA | C30 | H302 | 77.8° | 64.9° |
| HA | CA | C30 | H301 | 41.8° | 175.0° |
| HA | CA | O28 | H | 134.7° | 180.0° |
| H302 | C30 | C31 | H311 | 120.9° | 180.0° |
| H302 | C30 | C31 | H312 | 2.3° | 60.0° |
| H301 | C30 | C31 | H311 | 119.5° | 60.0° |
| H301 | C30 | C31 | H312 | 121.9° | 180.0° |
| H311 | C31 | C32 | H321 | 73.9° | 175.0° |
| H312 | C31 | C32 | H321 | 44.7° | 65.0° |
| H321 | C32 | C33 | H331 | 62.2° | 180.0° |
| H321 | C32 | C33 | H333 | 57.8° | 60.0° |
| H321 | C32 | C33 | H332 | 177.8° | 60.1° |
| H321 | C32 | C34 | H341 | 62.1° | 60.0° |
| H321 | C32 | C34 | H342 | 177.9° | 59.9° |
| H321 | C32 | C34 | H343 | 57.9° | 179.9° |
| H331 | C33 | H333 | H332 | 120.0° | 120.0° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
