00X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| N30 | HN30 | sing | 1.01Å | 1.00Å | |
| N30 | HN3A | sing | 1.01Å | 1.00Å | |
| C35 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C32 | C31 | sing | 1.51Å | 1.48Å | |
| C31 | C35 | sing | 1.54Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | C35 | sing | 1.54Å | 1.54Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N30 | HN30 | 109.5° | 111.0° |
| C31 | N30 | HN3A | 109.4° | 111.0° |
| N30 | C31 | C32 | 108.9° | 110.3° |
| N30 | C31 | C35 | 114.2° | 110.3° |
| N30 | C31 | H31 | 105.0° | 110.3° |
| HN30 | N30 | HN3A | 109.5° | 111.0° |
| C35 | O30 | HO30 | 109.5° | 114.0° |
| O30 | C35 | C31 | 112.1° | 110.8° |
| O30 | C35 | C39 | 110.3° | 110.8° |
| O30 | C35 | H35 | 106.7° | 110.7° |
| C32 | C31 | C35 | 103.7° | 105.1° |
| C32 | C31 | H31 | 115.3° | 110.4° |
| C31 | C32 | C33 | 126.2° | 130.4° |
| C31 | C32 | C36 | 111.9° | 109.8° |
| C35 | C31 | H31 | 110.1° | 110.3° |
| C31 | C35 | C39 | 108.2° | 102.4° |
| C31 | C35 | H35 | 108.8° | 110.8° |
| C33 | C32 | C36 | 121.9° | 119.9° |
| C32 | C33 | C34 | 117.6° | 120.2° |
| C32 | C33 | H33 | 121.2° | 119.9° |
| C32 | C36 | C37 | 121.3° | 119.9° |
| C32 | C36 | C39 | 112.1° | 109.8° |
| C34 | C33 | H33 | 121.2° | 119.9° |
| C33 | C34 | C38 | 120.5° | 119.9° |
| C33 | C34 | H34 | 119.7° | 120.0° |
| C38 | C34 | H34 | 119.7° | 120.0° |
| C34 | C38 | C37 | 121.1° | 119.9° |
| C34 | C38 | H38 | 119.4° | 120.1° |
| C39 | C35 | H35 | 110.7° | 111.0° |
| C35 | C39 | C36 | 102.3° | 105.2° |
| C35 | C39 | H39 | 111.9° | 110.3° |
| C35 | C39 | H39A | 112.0° | 110.3° |
| C37 | C36 | C39 | 126.7° | 130.4° |
| C36 | C37 | C38 | 117.7° | 120.2° |
| C36 | C37 | H37 | 121.2° | 119.9° |
| C36 | C39 | H39 | 111.9° | 110.3° |
| C36 | C39 | H39A | 112.0° | 110.3° |
| C38 | C37 | H37 | 121.2° | 119.9° |
| C37 | C38 | H38 | 119.5° | 120.0° |
| H39 | C39 | H39A | 106.9° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N30 | HN30 | HN3A | 120.0° | 124.0° |
| N30 | C31 | C35 | O30 | 9.9° | 27.0° |
| N30 | C31 | C32 | C35 | 121.9° | 118.9° |
| N30 | C31 | C32 | H31 | 117.6° | 122.1° |
| N30 | C31 | C35 | H31 | 117.8° | 122.1° |
| N30 | C31 | C32 | C33 | 49.5° | 43.9° |
| N30 | C31 | C32 | C36 | 130.5° | 136.1° |
| N30 | C31 | C35 | C39 | 131.7° | 145.3° |
| N30 | C31 | C35 | H35 | 108.0° | 96.3° |
| HN30 | N30 | C31 | C32 | 180.0° | 64.3° |
| HN30 | N30 | C31 | C35 | 64.7° | 179.9° |
| HN30 | N30 | C31 | H31 | 56.0° | 57.9° |
| HN3A | N30 | C31 | C32 | 60.0° | 171.8° |
| HN3A | N30 | C31 | C35 | 55.4° | 56.1° |
| HN3A | N30 | C31 | H31 | 176.1° | 66.0° |
| O30 | C35 | C31 | C32 | 108.5° | 91.9° |
| O30 | C35 | C31 | C39 | 121.8° | 118.3° |
| O30 | C35 | C31 | H35 | 117.8° | 123.3° |
| O30 | C35 | C31 | H31 | 127.6° | 149.1° |
| O30 | C35 | C39 | H35 | 117.9° | 123.5° |
| O30 | C35 | C39 | C36 | 110.0° | 91.9° |
| O30 | C35 | C39 | H39 | 10.0° | 27.1° |
| O30 | C35 | C39 | H39A | 129.9° | 149.2° |
| HO30 | O30 | C35 | C31 | 180.0° | 180.0° |
| HO30 | O30 | C35 | C39 | 59.4° | 67.0° |
| HO30 | O30 | C35 | H35 | 60.9° | 56.7° |
| C32 | C31 | C35 | H31 | 123.8° | 119.0° |
| C31 | C32 | C33 | C36 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 180.0° | 179.9° |
| C31 | C32 | C33 | H33 | 0.0° | 0.0° |
| C32 | C31 | C35 | C39 | 13.3° | 26.4° |
| C32 | C31 | C35 | H35 | 133.6° | 144.8° |
| C31 | C32 | C36 | C37 | 179.9° | 180.0° |
| C31 | C32 | C36 | C39 | 0.4° | 0.0° |
| C35 | C31 | C32 | C33 | 171.4° | 162.8° |
| C35 | C31 | C32 | C36 | 8.5° | 17.2° |
| C31 | C35 | C39 | H35 | 119.2° | 118.3° |
| C31 | C35 | C39 | C36 | 12.9° | 26.4° |
| C31 | C35 | C39 | H39 | 132.9° | 145.3° |
| C31 | C35 | C39 | H39A | 107.1° | 92.5° |
| H31 | C31 | C32 | C33 | 68.1° | 78.2° |
| H31 | C31 | C32 | C36 | 111.9° | 101.7° |
| H31 | C31 | C35 | C39 | 110.5° | 92.6° |
| H31 | C31 | C35 | H35 | 9.8° | 25.8° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C38 | 0.2° | 0.0° |
| C32 | C33 | C34 | H34 | 179.8° | 180.0° |
| C33 | C32 | C36 | C37 | 0.1° | 0.0° |
| C33 | C32 | C36 | C39 | 179.6° | 180.0° |
| C36 | C32 | C33 | C34 | 0.0° | 0.0° |
| C36 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C36 | C39 | C35 | 7.9° | 17.2° |
| C32 | C36 | C37 | C39 | 179.6° | 180.0° |
| C32 | C36 | C37 | C38 | 0.0° | 0.0° |
| C32 | C36 | C37 | H37 | 180.0° | 180.0° |
| C32 | C36 | C39 | H39 | 127.9° | 136.1° |
| C32 | C36 | C39 | H39A | 112.1° | 101.7° |
| C33 | C34 | C38 | H34 | 180.0° | 180.0° |
| C33 | C34 | C38 | C37 | 0.3° | 0.0° |
| C33 | C34 | C38 | H38 | 179.7° | 180.0° |
| H33 | C33 | C34 | C38 | 179.8° | 180.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| C34 | C38 | C37 | C36 | 0.2° | 0.0° |
| C34 | C38 | C37 | H38 | 180.0° | 180.0° |
| C34 | C38 | C37 | H37 | 179.8° | 180.0° |
| H34 | C34 | C38 | C37 | 179.7° | 180.0° |
| H34 | C34 | C38 | H38 | 0.3° | 0.0° |
| C35 | C39 | C36 | C37 | 171.7° | 162.8° |
| C35 | C39 | C36 | H39 | 120.0° | 118.9° |
| C35 | C39 | C36 | H39A | 120.0° | 118.9° |
| C35 | C39 | H39 | H39A | 122.9° | 122.1° |
| H35 | C35 | C39 | C36 | 132.1° | 144.6° |
| H35 | C35 | C39 | H39 | 107.9° | 96.4° |
| H35 | C35 | C39 | H39A | 12.1° | 25.7° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C36 | C39 | H39 | 51.7° | 43.9° |
| C37 | C36 | C39 | H39A | 68.3° | 78.3° |
| C39 | C36 | C37 | C38 | 179.7° | 180.0° |
| C39 | C36 | C37 | H37 | 0.3° | 0.0° |
| C36 | C39 | H39 | H39A | 122.9° | 122.1° |
| H37 | C37 | C38 | H38 | 0.2° | 0.1° |






