5HG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | P30 | doub | 1.48Å | 1.53Å | |
| P30 | O32 | sing | 1.61Å | 1.52Å | |
| P30 | O34 | sing | 1.61Å | 1.52Å | |
| P30 | C28 | sing | 1.82Å | 1.81Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C28 | O26 | sing | 1.43Å | 1.43Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| O26 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C22 | N17 | sing | 1.46Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N17 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| N17 | C3 | sing | 1.37Å | 1.34Å | Aromatic |
| C15 | N13 | doub | 1.30Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N13 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.48Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.48Å | Aromatic |
| C3 | N4 | doub | 1.33Å | 1.36Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N6 | C1 | sing | 1.33Å | 1.36Å | Aromatic |
| C1 | N20 | sing | 1.38Å | 1.36Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N20 | H202 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | P30 | O32 | 114.9° | 109.5° |
| O36 | P30 | O34 | 113.5° | 109.5° |
| O36 | P30 | C28 | 104.8° | 109.5° |
| O32 | P30 | O34 | 112.5° | 109.5° |
| O32 | P30 | C28 | 106.9° | 109.5° |
| P30 | O32 | HO32 | 109.5° | 106.8° |
| O34 | P30 | C28 | 102.8° | 109.5° |
| P30 | O34 | HO34 | 109.5° | 106.8° |
| P30 | C28 | O26 | 106.0° | 109.5° |
| P30 | C28 | H281 | 111.4° | 109.5° |
| P30 | C28 | H282 | 110.6° | 109.5° |
| O26 | C28 | H281 | 111.4° | 109.5° |
| O26 | C28 | H282 | 110.6° | 109.4° |
| C28 | O26 | C24 | 114.7° | 106.8° |
| H281 | C28 | H282 | 106.9° | 109.5° |
| O26 | C24 | C22 | 107.8° | 109.5° |
| O26 | C24 | H241 | 110.4° | 109.5° |
| O26 | C24 | H242 | 110.1° | 109.5° |
| C22 | C24 | H241 | 110.4° | 109.5° |
| C22 | C24 | H242 | 110.0° | 109.5° |
| C24 | C22 | N17 | 110.5° | 109.5° |
| C24 | C22 | H221 | 108.9° | 109.5° |
| C24 | C22 | H222 | 109.2° | 109.5° |
| H241 | C24 | H242 | 108.1° | 109.4° |
| N17 | C22 | H221 | 108.9° | 109.5° |
| N17 | C22 | H222 | 109.1° | 109.5° |
| C22 | N17 | C15 | 124.9° | 126.3° |
| C22 | N17 | C3 | 126.5° | 126.3° |
| H221 | C22 | H222 | 110.2° | 109.4° |
| C15 | N17 | C3 | 108.6° | 107.4° |
| N17 | C15 | N13 | 111.5° | 110.0° |
| N17 | C15 | H15 | 124.2° | 125.0° |
| N17 | C3 | C2 | 106.0° | 106.0° |
| N17 | C3 | N4 | 134.8° | 134.9° |
| N13 | C15 | H15 | 124.3° | 125.0° |
| C15 | N13 | C2 | 106.8° | 109.4° |
| N13 | C2 | C3 | 107.2° | 107.1° |
| N13 | C2 | C1 | 135.5° | 134.7° |
| C3 | C2 | C1 | 117.4° | 118.2° |
| C2 | C3 | N4 | 119.3° | 119.1° |
| C2 | C1 | N6 | 117.2° | 118.5° |
| C2 | C1 | N20 | 120.6° | 120.8° |
| C3 | N4 | C5 | 120.6° | 120.6° |
| N4 | C5 | N6 | 123.1° | 122.4° |
| N4 | C5 | H5 | 118.4° | 118.8° |
| N6 | C5 | H5 | 118.5° | 118.8° |
| C5 | N6 | C1 | 122.5° | 121.2° |
| N6 | C1 | N20 | 122.2° | 120.8° |
| C1 | N20 | H201 | 109.5° | 120.0° |
| C1 | N20 | H202 | 109.5° | 120.0° |
| H201 | N20 | H202 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | P30 | O32 | O34 | 132.0° | 120.0° |
| O36 | P30 | O32 | C28 | 115.9° | 120.0° |
| O36 | P30 | O34 | C28 | 112.6° | 120.0° |
| O36 | P30 | O32 | HO32 | 38.4° | 60.0° |
| O36 | P30 | O34 | HO34 | 128.8° | 180.0° |
| O36 | P30 | C28 | O26 | 173.8° | 60.0° |
| O36 | P30 | C28 | H281 | 64.9° | 60.0° |
| O36 | P30 | C28 | H282 | 53.8° | 180.0° |
| O32 | P30 | O34 | C28 | 114.7° | 120.0° |
| O32 | P30 | O34 | HO34 | 98.4° | 60.0° |
| O32 | P30 | C28 | O26 | 51.3° | 180.0° |
| O32 | P30 | C28 | H281 | 172.6° | 60.0° |
| O32 | P30 | C28 | H282 | 68.7° | 60.0° |
| O34 | P30 | O32 | HO32 | 170.4° | 60.0° |
| O34 | P30 | C28 | O26 | 67.4° | 60.0° |
| O34 | P30 | C28 | H281 | 54.0° | 180.0° |
| O34 | P30 | C28 | H282 | 172.6° | 60.0° |
| C28 | P30 | O32 | HO32 | 77.5° | 180.0° |
| C28 | P30 | O34 | HO34 | 16.2° | 60.0° |
| P30 | C28 | O26 | H281 | 121.3° | 120.0° |
| P30 | C28 | O26 | H282 | 120.0° | 120.0° |
| P30 | C28 | H281 | H282 | 120.9° | 120.0° |
| P30 | C28 | O26 | C24 | 139.6° | 75.0° |
| O26 | C28 | H281 | H282 | 120.9° | 120.0° |
| C28 | O26 | C24 | C22 | 100.8° | 180.0° |
| C28 | O26 | C24 | H241 | 138.5° | 60.0° |
| C28 | O26 | C24 | H242 | 19.2° | 60.0° |
| H281 | C28 | O26 | C24 | 18.3° | 165.0° |
| H282 | C28 | O26 | C24 | 100.4° | 45.0° |
| O26 | C24 | C22 | H241 | 120.7° | 120.0° |
| O26 | C24 | C22 | H242 | 120.0° | 120.0° |
| O26 | C24 | H241 | H242 | 120.5° | 119.9° |
| O26 | C24 | C22 | N17 | 177.4° | 180.0° |
| O26 | C24 | C22 | H221 | 57.8° | 60.0° |
| O26 | C24 | C22 | H222 | 62.6° | 60.0° |
| C22 | C24 | H241 | H242 | 120.4° | 120.0° |
| C24 | C22 | N17 | H221 | 119.6° | 120.0° |
| C24 | C22 | N17 | H222 | 120.0° | 120.0° |
| C24 | C22 | H221 | H222 | 119.8° | 120.0° |
| C24 | C22 | N17 | C15 | 105.5° | 95.0° |
| C24 | C22 | N17 | C3 | 73.5° | 84.9° |
| H241 | C24 | C22 | N17 | 61.9° | 60.0° |
| H241 | C24 | C22 | H221 | 178.5° | 180.0° |
| H241 | C24 | C22 | H222 | 58.1° | 60.0° |
| H242 | C24 | C22 | N17 | 57.4° | 60.0° |
| H242 | C24 | C22 | H221 | 62.2° | 60.1° |
| H242 | C24 | C22 | H222 | 177.4° | NaN° |
| N17 | C22 | H221 | H222 | 119.7° | 120.0° |
| C22 | N17 | C15 | C3 | 179.2° | 179.9° |
| C22 | N17 | C15 | N13 | 179.9° | 179.9° |
| C22 | N17 | C15 | H15 | 0.1° | 0.1° |
| C22 | N17 | C3 | C2 | 180.0° | 179.7° |
| C22 | N17 | C3 | N4 | 0.3° | 0.1° |
| H221 | C22 | N17 | C15 | 134.8° | 25.1° |
| H221 | C22 | N17 | C3 | 46.1° | 155.0° |
| H222 | C22 | N17 | C15 | 14.5° | 145.0° |
| H222 | C22 | N17 | C3 | 166.5° | 35.1° |
| N17 | C15 | N13 | H15 | 180.0° | 180.0° |
| N17 | C15 | N13 | C2 | 0.6° | 0.2° |
| C15 | N17 | C3 | C2 | 0.8° | 0.2° |
| C15 | N17 | C3 | N4 | 178.9° | 179.9° |
| C3 | N17 | C15 | N13 | 0.9° | 0.0° |
| C3 | N17 | C15 | H15 | 179.1° | 180.0° |
| N17 | C3 | C2 | N13 | 0.5° | 0.3° |
| N17 | C3 | C2 | N4 | 179.8° | 179.9° |
| N17 | C3 | C2 | C1 | 179.7° | 179.6° |
| N17 | C3 | N4 | C5 | 179.8° | 180.0° |
| C15 | N13 | C2 | C3 | 0.0° | 0.3° |
| C15 | N13 | C2 | C1 | 179.7° | 179.5° |
| H15 | C15 | N13 | C2 | 179.4° | 179.8° |
| N13 | C2 | C3 | C1 | 179.8° | 179.3° |
| N13 | C2 | C3 | N4 | 179.3° | 179.8° |
| N13 | C2 | C1 | N6 | 179.3° | 179.6° |
| N13 | C2 | C1 | N20 | 0.0° | 0.7° |
| C2 | C3 | N4 | C5 | 0.5° | 0.2° |
| C3 | C2 | C1 | N6 | 0.4° | 0.5° |
| C3 | C2 | C1 | N20 | 179.7° | 179.7° |
| C1 | C2 | C3 | N4 | 0.5° | 0.5° |
| C2 | C1 | N6 | C5 | 0.2° | 0.3° |
| C2 | C1 | N6 | N20 | 179.3° | 179.8° |
| C2 | C1 | N20 | H201 | 154.7° | 179.7° |
| C2 | C1 | N20 | H202 | 85.3° | 0.5° |
| C3 | N4 | C5 | N6 | 0.3° | 0.1° |
| C3 | N4 | C5 | H5 | 179.7° | 180.0° |
| N4 | C5 | N6 | H5 | 180.0° | 179.9° |
| N4 | C5 | N6 | C1 | 0.2° | 0.1° |
| C5 | N6 | C1 | N20 | 179.5° | 180.0° |
| H5 | C5 | N6 | C1 | 179.8° | 179.9° |
| N6 | C1 | N20 | H201 | 24.6° | 0.1° |
| N6 | C1 | N20 | H202 | 95.5° | 179.8° |
| C1 | N20 | H201 | H202 | 120.1° | 179.9° |
