GBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C1R | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C1R | sing | 1.53Å | 1.59Å | |
| C3 | C | sing | 1.51Å | 1.40Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C1R | C2R | sing | 1.53Å | 1.59Å | |
| C1R | C6R | sing | 1.53Å | 1.59Å | |
| C2R | C3R | sing | 1.53Å | 1.59Å | |
| C2R | H2R1 | sing | 1.09Å | 1.11Å | |
| C2R | H2R2 | sing | 1.09Å | 1.12Å | |
| C3R | C4R | sing | 1.53Å | 1.58Å | |
| C3R | H3R1 | sing | 1.09Å | 1.12Å | |
| C3R | H3R2 | sing | 1.09Å | 1.12Å | |
| C4R | C5R | sing | 1.53Å | 1.57Å | |
| C4R | H4R1 | sing | 1.09Å | 1.12Å | |
| C4R | H4R2 | sing | 1.09Å | 1.12Å | |
| C5R | C6R | sing | 1.53Å | 1.55Å | |
| C5R | H5R1 | sing | 1.09Å | 1.12Å | |
| C5R | H5R2 | sing | 1.09Å | 1.12Å | |
| C6R | H6R1 | sing | 1.09Å | 1.12Å | |
| C6R | H6R2 | sing | 1.09Å | 1.12Å | |
| C | OA | sing | 1.34Å | 1.25Å | |
| C | OB | doub | 1.21Å | 1.25Å | |
| OA | HOA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 152.0° | 106.7° |
| C2 | N1 | HN12 | 98.2° | 106.7° |
| N1 | C2 | C1R | 152.0° | 109.5° |
| N1 | C2 | H21 | 98.2° | 109.5° |
| N1 | C2 | H22 | 98.2° | 109.5° |
| HN11 | N1 | HN12 | 98.2° | 106.7° |
| C1R | C2 | H21 | 98.2° | 109.5° |
| C1R | C2 | H22 | 98.2° | 109.5° |
| C2 | C1R | C3 | 87.9° | 109.5° |
| C2 | C1R | C2R | 125.2° | 109.5° |
| C2 | C1R | C6R | 112.7° | 109.5° |
| H21 | C2 | H22 | 107.8° | 109.5° |
| C1R | C3 | C | 128.7° | 109.5° |
| C1R | C3 | H31 | 105.5° | 109.5° |
| C1R | C3 | H32 | 105.5° | 109.5° |
| C3 | C1R | C2R | 109.4° | 109.5° |
| C3 | C1R | C6R | 110.6° | 109.4° |
| C | C3 | H31 | 105.5° | 109.5° |
| C | C3 | H32 | 105.5° | 109.4° |
| C3 | C | OA | 111.6° | 120.0° |
| C3 | C | OB | 125.1° | 120.0° |
| H31 | C3 | H32 | 103.8° | 109.5° |
| C2R | C1R | C6R | 108.8° | 109.4° |
| C1R | C2R | C3R | 107.7° | 109.5° |
| C1R | C2R | H2R1 | 112.9° | 109.5° |
| C1R | C2R | H2R2 | 112.9° | 109.4° |
| C1R | C6R | C5R | 111.6° | 109.4° |
| C1R | C6R | H6R1 | 111.5° | 109.5° |
| C1R | C6R | H6R2 | 111.4° | 109.5° |
| C3R | C2R | H2R1 | 112.8° | 109.5° |
| C3R | C2R | H2R2 | 112.8° | 109.5° |
| C2R | C3R | C4R | 109.8° | 109.4° |
| C2R | C3R | H3R1 | 112.1° | 109.5° |
| C2R | C3R | H3R2 | 112.1° | 109.5° |
| H2R1 | C2R | H2R2 | 97.6° | 109.5° |
| C4R | C3R | H3R1 | 112.0° | 109.5° |
| C4R | C3R | H3R2 | 112.1° | 109.5° |
| C3R | C4R | C5R | 109.0° | 109.4° |
| C3R | C4R | H4R1 | 112.4° | 109.5° |
| C3R | C4R | H4R2 | 112.4° | 109.4° |
| H3R1 | C3R | H3R2 | 98.3° | 109.5° |
| C5R | C4R | H4R1 | 112.4° | 109.5° |
| C5R | C4R | H4R2 | 112.4° | 109.5° |
| C4R | C5R | C6R | 108.5° | 109.5° |
| C4R | C5R | H5R1 | 112.6° | 109.4° |
| C4R | C5R | H5R2 | 112.6° | 109.5° |
| H4R1 | C4R | H4R2 | 98.0° | 109.5° |
| C6R | C5R | H5R1 | 112.6° | 109.5° |
| C6R | C5R | H5R2 | 112.6° | 109.5° |
| C5R | C6R | H6R1 | 111.4° | 109.5° |
| C5R | C6R | H6R2 | 111.4° | 109.5° |
| H5R1 | C5R | H5R2 | 97.8° | 109.5° |
| H6R1 | C6R | H6R2 | 98.9° | 109.5° |
| OA | C | OB | 123.3° | 120.0° |
| C | OA | HOA | 111.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.3° | 113.7° |
| N1 | C2 | C1R | H21 | 125.2° | 120.0° |
| N1 | C2 | C1R | H22 | 125.3° | 120.0° |
| N1 | C2 | H21 | H22 | 101.4° | 120.0° |
| N1 | C2 | C1R | C3 | 67.8° | 64.3° |
| N1 | C2 | C1R | C2R | 179.8° | 175.6° |
| N1 | C2 | C1R | C6R | 43.6° | 55.6° |
| HN11 | N1 | C2 | C1R | 179.9° | 174.3° |
| HN11 | N1 | C2 | H21 | 54.7° | 65.7° |
| HN11 | N1 | C2 | H22 | 54.8° | 54.2° |
| HN12 | N1 | C2 | C1R | 54.7° | 72.0° |
| HN12 | N1 | C2 | H21 | 179.9° | 48.0° |
| HN12 | N1 | C2 | H22 | 70.6° | 168.0° |
| C1R | C2 | H21 | H22 | 101.4° | 120.0° |
| C2 | C1R | C3 | C2R | 126.7° | 120.0° |
| C2 | C1R | C3 | C6R | 113.5° | 120.0° |
| C2 | C1R | C3 | C | 68.2° | 177.7° |
| C2 | C1R | C3 | H31 | 57.1° | 57.7° |
| C2 | C1R | C3 | H32 | 166.5° | 62.3° |
| C2 | C1R | C2R | C6R | 137.6° | 120.0° |
| C2 | C1R | C2R | C3R | 78.9° | 60.0° |
| C2 | C1R | C2R | H2R1 | 46.4° | 180.0° |
| C2 | C1R | C2R | H2R2 | 155.9° | 60.0° |
| C2 | C1R | C6R | C5R | 83.6° | 60.0° |
| C2 | C1R | C6R | H6R1 | 151.1° | 60.0° |
| C2 | C1R | C6R | H6R2 | 41.6° | 180.0° |
| H21 | C2 | C1R | C3 | 166.9° | 55.7° |
| H21 | C2 | C1R | C2R | 54.6° | 64.4° |
| H21 | C2 | C1R | C6R | 81.6° | 175.6° |
| H22 | C2 | C1R | C3 | 57.4° | 175.6° |
| H22 | C2 | C1R | C2R | 54.9° | 55.6° |
| H22 | C2 | C1R | C6R | 168.9° | 64.4° |
| C1R | C3 | C | H31 | 125.3° | 120.0° |
| C1R | C3 | C | H32 | 125.3° | 120.0° |
| C1R | C3 | H31 | H32 | 110.6° | 120.0° |
| C3 | C1R | C2R | C6R | 120.9° | 120.0° |
| C3 | C1R | C2R | C3R | 179.6° | 180.0° |
| C3 | C1R | C2R | H2R1 | 55.2° | 60.0° |
| C3 | C1R | C2R | H2R2 | 54.4° | 60.0° |
| C3 | C1R | C6R | C5R | 179.8° | 180.0° |
| C3 | C1R | C6R | H6R1 | 54.6° | 60.0° |
| C3 | C1R | C6R | H6R2 | 54.9° | 60.0° |
| C1R | C3 | C | OA | 106.7° | 174.4° |
| C1R | C3 | C | OB | 74.0° | 5.5° |
| C | C3 | H31 | H32 | 110.7° | 119.9° |
| C | C3 | C1R | C2R | 58.5° | 62.2° |
| C | C3 | C1R | C6R | 178.3° | 57.7° |
| C3 | C | OA | OB | 179.3° | 179.9° |
| C3 | C | OA | HOA | 180.0° | 180.0° |
| H31 | C3 | C1R | C2R | 176.2° | 177.7° |
| H31 | C3 | C1R | C6R | 56.4° | 62.3° |
| H31 | C3 | C | OA | 18.5° | 54.4° |
| H31 | C3 | C | OB | 160.8° | 125.6° |
| H32 | C3 | C1R | C2R | 66.8° | 57.7° |
| H32 | C3 | C1R | C6R | 53.0° | 177.7° |
| H32 | C3 | C | OA | 128.0° | 65.6° |
| H32 | C3 | C | OB | 51.3° | 114.5° |
| C1R | C2R | C3R | H2R1 | 125.3° | 120.0° |
| C1R | C2R | C3R | H2R2 | 125.2° | 120.0° |
| C1R | C2R | H2R1 | H2R2 | 118.8° | 120.0° |
| C1R | C2R | C3R | C4R | 61.5° | 60.0° |
| C1R | C2R | C3R | H3R1 | 63.7° | 180.0° |
| C1R | C2R | C3R | H3R2 | 173.2° | 60.0° |
| C2R | C1R | C6R | C5R | 59.7° | 60.0° |
| C2R | C1R | C6R | H6R1 | 65.6° | 180.0° |
| C2R | C1R | C6R | H6R2 | 175.1° | 60.0° |
| C6R | C1R | C2R | C3R | 58.7° | 60.0° |
| C6R | C1R | C2R | H2R1 | 176.1° | 60.0° |
| C6R | C1R | C2R | H2R2 | 66.5° | 180.0° |
| C1R | C6R | C5R | C4R | 60.0° | 60.0° |
| C1R | C6R | C5R | H6R1 | 125.3° | 120.0° |
| C1R | C6R | C5R | H6R2 | 125.3° | 120.0° |
| C1R | C6R | C5R | H5R1 | 65.3° | 180.0° |
| C1R | C6R | C5R | H5R2 | 174.7° | 60.0° |
| C1R | C6R | H6R1 | H6R2 | 117.4° | 120.0° |
| C3R | C2R | H2R1 | H2R2 | 118.8° | 120.0° |
| C2R | C3R | C4R | H3R1 | 125.3° | 120.0° |
| C2R | C3R | C4R | H3R2 | 125.3° | 120.0° |
| C2R | C3R | H3R1 | H3R2 | 118.0° | 120.0° |
| C2R | C3R | C4R | C5R | 62.7° | 60.0° |
| C2R | C3R | C4R | H4R1 | 172.0° | 60.0° |
| C2R | C3R | C4R | H4R2 | 62.6° | 180.0° |
| H2R1 | C2R | C3R | C4R | 173.2° | 60.0° |
| H2R1 | C2R | C3R | H3R1 | 61.5° | 60.0° |
| H2R1 | C2R | C3R | H3R2 | 48.0° | 180.0° |
| H2R2 | C2R | C3R | C4R | 63.7° | 180.0° |
| H2R2 | C2R | C3R | H3R1 | 171.0° | 60.0° |
| H2R2 | C2R | C3R | H3R2 | 61.5° | 60.0° |
| C4R | C3R | H3R1 | H3R2 | 117.9° | 120.0° |
| C3R | C4R | C5R | H4R1 | 125.3° | 120.0° |
| C3R | C4R | C5R | H4R2 | 125.3° | 119.9° |
| C3R | C4R | H4R1 | H4R2 | 118.3° | 120.0° |
| C3R | C4R | C5R | C6R | 60.5° | 60.0° |
| C3R | C4R | C5R | H5R1 | 64.8° | 180.0° |
| C3R | C4R | C5R | H5R2 | 174.2° | 60.0° |
| H3R1 | C3R | C4R | C5R | 62.6° | 180.0° |
| H3R1 | C3R | C4R | H4R1 | 62.7° | 60.0° |
| H3R1 | C3R | C4R | H4R2 | 172.1° | 60.0° |
| H3R2 | C3R | C4R | C5R | 172.0° | 60.0° |
| H3R2 | C3R | C4R | H4R1 | 46.7° | NaN° |
| H3R2 | C3R | C4R | H4R2 | 62.7° | 60.0° |
| C5R | C4R | H4R1 | H4R2 | 118.3° | 120.0° |
| C4R | C5R | C6R | H5R1 | 125.3° | 119.9° |
| C4R | C5R | C6R | H5R2 | 125.3° | 120.0° |
| C4R | C5R | H5R1 | H5R2 | 118.5° | 120.0° |
| C4R | C5R | C6R | H6R1 | 65.3° | 180.0° |
| C4R | C5R | C6R | H6R2 | 174.7° | 60.0° |
| H4R1 | C4R | C5R | C6R | 174.2° | 60.0° |
| H4R1 | C4R | C5R | H5R1 | 60.5° | 60.0° |
| H4R1 | C4R | C5R | H5R2 | 48.9° | 180.0° |
| H4R2 | C4R | C5R | C6R | 64.8° | 180.0° |
| H4R2 | C4R | C5R | H5R1 | 169.9° | 60.0° |
| H4R2 | C4R | C5R | H5R2 | 60.5° | 59.9° |
| C6R | C5R | H5R1 | H5R2 | 118.5° | 120.0° |
| C5R | C6R | H6R1 | H6R2 | 117.2° | 120.0° |
| H5R1 | C5R | C6R | H6R1 | 169.4° | 60.0° |
| H5R1 | C5R | C6R | H6R2 | 60.0° | 60.0° |
| H5R2 | C5R | C6R | H6R1 | 60.0° | 60.0° |
| H5R2 | C5R | C6R | H6R2 | 49.5° | 180.0° |
| OB | C | OA | HOA | 0.7° | 0.0° |
