3G0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C3 | trip | 1.14Å | 1.15Å | |
| C3 | PT | sing | 2.15Å | 1.88Å | |
| PT | C2 | sing | 2.15Å | 1.86Å | |
| PT | C4 | sing | 2.15Å | 1.87Å | |
| PT | C1 | sing | 2.15Å | 1.86Å | |
| C2 | N2 | trip | 1.14Å | 1.14Å | |
| C4 | N4 | trip | 1.14Å | 1.15Å | |
| C1 | N1 | trip | 1.14Å | 1.14Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C3 | PT | 176.8° | 180.0° |
| C3 | PT | C2 | 89.3° | 109.5° |
| C3 | PT | C4 | 90.1° | 109.5° |
| C3 | PT | C1 | 171.0° | 109.5° |
| C2 | PT | C4 | 172.5° | 109.5° |
| C2 | PT | C1 | 90.1° | 109.5° |
| PT | C2 | N2 | 177.0° | 180.0° |
| C4 | PT | C1 | 91.7° | 109.5° |
| PT | C4 | N4 | 179.2° | 180.0° |
| PT | C1 | N1 | 178.3° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C3 | PT | C2 | 155.6° | 60.0° |
| N3 | C3 | PT | C4 | 31.8° | 60.0° |
| N3 | C3 | PT | C1 | 69.3° | 180.0° |
| C3 | PT | C2 | C4 | 85.5° | 120.0° |
| C3 | PT | C2 | C1 | 171.0° | 120.0° |
| C3 | PT | C4 | C1 | 171.1° | 120.0° |
| C3 | PT | C2 | N2 | 106.5° | 60.0° |
| C3 | PT | C4 | N4 | 144.6° | 60.0° |
| C3 | PT | C1 | N1 | 109.5° | 180.0° |
| C2 | PT | C4 | C1 | 103.5° | 120.0° |
| C2 | PT | C4 | N4 | 59.2° | 180.0° |
| C2 | PT | C1 | N1 | 23.2° | 60.0° |
| C4 | PT | C2 | N2 | 21.1° | 180.0° |
| C4 | PT | C1 | N1 | 149.5° | 60.0° |
| C1 | PT | C2 | N2 | 82.5° | 60.0° |
| C1 | PT | C4 | N4 | 44.3° | 60.0° |
