0GG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C31 | sing | 1.47Å | 1.48Å | |
| C33 | C31 | sing | 1.53Å | 1.56Å | |
| C33 | N6 | sing | 1.47Å | 1.48Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C42 | O10 | sing | 1.43Å | 1.42Å | |
| N6 | C34 | sing | 1.35Å | 1.38Å | |
| O10 | C38 | sing | 1.36Å | 1.39Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | O9 | doub | 1.21Å | 1.21Å | |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | O8 | doub | 1.21Å | 1.21Å | |
| C36 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | O11 | sing | 1.36Å | 1.36Å | |
| C39 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | H4 | sing | 1.01Å | 1.00Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | H39 | sing | 1.08Å | 1.08Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| O11 | H45 | sing | 0.97Å | 0.95Å | |
| N4 | H2 | sing | 1.01Å | 1.00Å | |
| C32 | OXT | sing | 1.34Å | 17.84Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C31 | C33 | 109.6° | 109.5° |
| N4 | C31 | C32 | 111.7° | 109.4° |
| C31 | N4 | H4 | 109.5° | 111.0° |
| N4 | C31 | H32 | 108.6° | 109.5° |
| C31 | N4 | H2 | 109.5° | 111.0° |
| C31 | C33 | N6 | 111.9° | 109.4° |
| C33 | C31 | C32 | 111.2° | 109.4° |
| C33 | C31 | H32 | 107.6° | 109.5° |
| C31 | C33 | H33 | 108.8° | 109.5° |
| C31 | C33 | H34 | 108.9° | 109.5° |
| C33 | N6 | C34 | 126.8° | 120.0° |
| C33 | N6 | H7 | 116.6° | 120.0° |
| N6 | C33 | H33 | 108.9° | 109.5° |
| N6 | C33 | H34 | 108.9° | 109.5° |
| C31 | C32 | O8 | 123.1° | 120.0° |
| C32 | C31 | H32 | 107.8° | 109.4° |
| C31 | C32 | OXT | 120.2° | 120.0° |
| C42 | O10 | C38 | 115.6° | 117.0° |
| O10 | C42 | H40 | 109.5° | 109.5° |
| O10 | C42 | H41 | 109.5° | 109.5° |
| O10 | C42 | H42 | 109.5° | 109.5° |
| N6 | C34 | C35 | 117.5° | 120.0° |
| N6 | C34 | O9 | 119.7° | 120.0° |
| C34 | N6 | H7 | 116.6° | 120.0° |
| O10 | C38 | C37 | 121.0° | 120.1° |
| O10 | C38 | C39 | 121.0° | 120.1° |
| C34 | C35 | C36 | 115.2° | 109.5° |
| C35 | C34 | O9 | 122.7° | 120.0° |
| C34 | C35 | H35 | 108.0° | 109.4° |
| C34 | C35 | H36 | 108.0° | 109.5° |
| C35 | C36 | C37 | 120.6° | 119.9° |
| C35 | C36 | C41 | 121.7° | 119.9° |
| C36 | C35 | H35 | 108.0° | 109.4° |
| C36 | C35 | H36 | 108.0° | 109.5° |
| C38 | C37 | C36 | 122.8° | 120.0° |
| C37 | C38 | C39 | 118.0° | 119.8° |
| C38 | C37 | H37 | 118.6° | 120.0° |
| C37 | C36 | C41 | 117.7° | 120.1° |
| C36 | C37 | H37 | 118.6° | 120.0° |
| C38 | C39 | O11 | 120.4° | 120.1° |
| C38 | C39 | C40 | 119.7° | 119.8° |
| O8 | C32 | OXT | 112.7° | 120.0° |
| C36 | C41 | C40 | 120.4° | 120.2° |
| C36 | C41 | H39 | 119.8° | 119.9° |
| O11 | C39 | C40 | 119.9° | 120.1° |
| C39 | O11 | H45 | 109.5° | 114.0° |
| C39 | C40 | C41 | 121.4° | 120.0° |
| C39 | C40 | H38 | 119.3° | 120.0° |
| C41 | C40 | H38 | 119.3° | 120.0° |
| C40 | C41 | H39 | 119.8° | 119.9° |
| H4 | N4 | H2 | 109.5° | 111.0° |
| H33 | C33 | H34 | 109.5° | 109.4° |
| H35 | C35 | H36 | 109.5° | 109.5° |
| H40 | C42 | H41 | 109.5° | 109.5° |
| H40 | C42 | H42 | 109.5° | 109.5° |
| H41 | C42 | H42 | 109.5° | 109.4° |
| C32 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C31 | C33 | C32 | 124.1° | 120.0° |
| N4 | C31 | C33 | H32 | 118.0° | 120.0° |
| N4 | C31 | C33 | N6 | 174.8° | 55.1° |
| N4 | C31 | C32 | H32 | 119.3° | 120.0° |
| N4 | C31 | C32 | O8 | 165.2° | 20.0° |
| C31 | N4 | H4 | H2 | 120.0° | 123.9° |
| N4 | C31 | C33 | H33 | 54.4° | 65.0° |
| N4 | C31 | C33 | H34 | 64.8° | 175.0° |
| N4 | C31 | C32 | OXT | 9.6° | 160.0° |
| C31 | C33 | N6 | H33 | 120.3° | 120.1° |
| C31 | C33 | N6 | H34 | 120.4° | 120.0° |
| C33 | C31 | C32 | H32 | 117.8° | 120.0° |
| C31 | C33 | N6 | C34 | 136.7° | 180.0° |
| C33 | C31 | C32 | O8 | 42.3° | 99.9° |
| C33 | C31 | N4 | H4 | 180.0° | 64.0° |
| C31 | C33 | N6 | H7 | 43.3° | 0.1° |
| C31 | C33 | H33 | H34 | 118.9° | 120.0° |
| C33 | C31 | N4 | H2 | 60.0° | 59.9° |
| C33 | C31 | C32 | OXT | 113.3° | 80.0° |
| N6 | C33 | C31 | C32 | 50.7° | 175.0° |
| C33 | N6 | C34 | H7 | 180.0° | 179.9° |
| C33 | N6 | C34 | C35 | 115.7° | 180.0° |
| C33 | N6 | C34 | O9 | 64.0° | 0.0° |
| N6 | C33 | C31 | H32 | 67.2° | 65.0° |
| N6 | C33 | H33 | H34 | 118.9° | 120.0° |
| C31 | C32 | O8 | OXT | 157.3° | 180.0° |
| C32 | C31 | N4 | H4 | 56.2° | 176.1° |
| C32 | C31 | C33 | H33 | 69.7° | 55.0° |
| C32 | C31 | C33 | H34 | 171.1° | 65.0° |
| C32 | C31 | N4 | H2 | 176.2° | 60.0° |
| C31 | C32 | OXT | HXT | 90.0° | 180.0° |
| C42 | O10 | C38 | C37 | 89.5° | 0.0° |
| C42 | O10 | C38 | C39 | 90.8° | 179.9° |
| O10 | C42 | H40 | H41 | 120.0° | 120.0° |
| O10 | C42 | H40 | H42 | 120.0° | 120.1° |
| O10 | C42 | H41 | H42 | 120.0° | 119.9° |
| N6 | C34 | C35 | O9 | 179.7° | 180.0° |
| N6 | C34 | C35 | C36 | 165.7° | 180.0° |
| C34 | N6 | C33 | H33 | 16.3° | 59.9° |
| C34 | N6 | C33 | H34 | 102.9° | 60.0° |
| N6 | C34 | C35 | H35 | 73.5° | 60.1° |
| N6 | C34 | C35 | H36 | 44.9° | 60.0° |
| O10 | C38 | C37 | C39 | 179.6° | 180.0° |
| O10 | C38 | C37 | C36 | 179.7° | 180.0° |
| O10 | C38 | C39 | O11 | 0.3° | 0.0° |
| O10 | C38 | C39 | C40 | 179.7° | 180.0° |
| O10 | C38 | C37 | H37 | 0.3° | 0.0° |
| C38 | O10 | C42 | H40 | 180.0° | 60.0° |
| C38 | O10 | C42 | H41 | 60.0° | 60.1° |
| C38 | O10 | C42 | H42 | 60.0° | 180.0° |
| C34 | C35 | C36 | H35 | 120.8° | 119.9° |
| C34 | C35 | C36 | H36 | 120.8° | 120.0° |
| C34 | C35 | C36 | C37 | 117.6° | 89.8° |
| C34 | C35 | C36 | C41 | 62.9° | 90.0° |
| C35 | C34 | N6 | H7 | 64.3° | 0.0° |
| C34 | C35 | H35 | H36 | 117.4° | 120.0° |
| C35 | C36 | C37 | C38 | 179.6° | 180.0° |
| C35 | C36 | C37 | C41 | 179.5° | 179.7° |
| C36 | C35 | C34 | O9 | 14.6° | 0.0° |
| C35 | C36 | C41 | C40 | 179.7° | 179.7° |
| C36 | C35 | H35 | H36 | 117.4° | 120.0° |
| C35 | C36 | C37 | H37 | 0.4° | 0.0° |
| C35 | C36 | C41 | H39 | 0.3° | 0.1° |
| C38 | C37 | C36 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | C41 | 0.1° | 0.3° |
| C37 | C38 | C39 | O11 | 179.9° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C41 | C40 | 0.2° | 0.6° |
| C37 | C36 | C35 | H35 | 3.2° | 150.3° |
| C37 | C36 | C35 | H36 | 121.5° | 30.2° |
| C37 | C36 | C41 | H39 | 179.8° | 179.8° |
| O9 | C34 | N6 | H7 | 116.0° | 180.0° |
| O9 | C34 | C35 | H35 | 106.2° | 120.0° |
| O9 | C34 | C35 | H36 | 135.4° | 120.0° |
| C38 | C39 | O11 | C40 | 179.9° | 180.0° |
| C38 | C39 | C40 | C41 | 0.1° | 0.3° |
| C39 | C38 | C37 | H37 | 180.0° | 180.0° |
| C38 | C39 | C40 | H38 | 179.9° | 180.0° |
| C38 | C39 | O11 | H45 | 180.0° | 90.0° |
| O8 | C32 | C31 | H32 | 75.5° | 140.0° |
| O8 | C32 | OXT | HXT | 90.0° | 0.0° |
| C36 | C41 | C40 | C39 | 0.2° | 0.6° |
| C36 | C41 | C40 | H39 | 180.0° | 179.6° |
| C41 | C36 | C35 | H35 | 176.3° | 30.0° |
| C41 | C36 | C35 | H36 | 57.9° | 150.0° |
| C41 | C36 | C37 | H37 | 179.9° | 179.7° |
| C36 | C41 | C40 | H38 | 179.7° | 179.7° |
| O11 | C39 | C40 | C41 | 179.8° | 179.7° |
| O11 | C39 | C40 | H38 | 0.2° | 0.0° |
| C39 | C40 | C41 | H38 | 180.0° | 179.7° |
| C39 | C40 | C41 | H39 | 179.8° | 179.7° |
| C40 | C39 | O11 | H45 | 0.1° | 90.0° |
| H4 | N4 | C31 | H32 | 62.6° | 56.1° |
| H7 | N6 | C33 | H33 | 163.7° | 120.0° |
| H7 | N6 | C33 | H34 | 77.1° | 120.1° |
| H32 | C31 | C33 | H33 | 172.4° | 175.0° |
| H32 | C31 | C33 | H34 | 53.1° | 55.0° |
| H32 | C31 | N4 | H2 | 57.4° | 180.0° |
| H32 | C31 | C32 | OXT | 128.9° | 40.0° |
| H38 | C40 | C41 | H39 | 0.2° | 0.0° |
| H40 | C42 | H41 | H42 | 120.0° | 120.0° |
