G39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.22Å | 1.25Å | |
| C1 | O1B | sing | 1.35Å | 1.24Å | |
| C1 | C2 | sing | 1.47Å | 1.41Å | |
| O1B | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C2 | C7 | doub | 1.32Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | N4 | sing | 1.47Å | 1.39Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | N5 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C10 | O10 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.50Å | 1.49Å | |
| C6 | O7 | sing | 1.43Å | 1.44Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O7 | C8 | sing | 1.43Å | 1.38Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C81 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C91 | sing | 1.53Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C81 | C82 | sing | 1.53Å | 1.45Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C82 | H821 | sing | 1.09Å | 1.10Å | |
| C82 | H822 | sing | 1.09Å | 1.10Å | |
| C82 | H823 | sing | 1.09Å | 1.10Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C91 | H913 | sing | 1.09Å | 1.10Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 120.1° | 120.0° |
| O1A | C1 | C2 | 119.7° | 120.0° |
| O1B | C1 | C2 | 120.1° | 120.0° |
| C1 | O1B | HO1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 120.3° | 118.1° |
| C1 | C2 | C7 | 121.2° | 118.1° |
| C3 | C2 | C7 | 118.2° | 123.8° |
| C2 | C3 | C4 | 119.6° | 110.1° |
| C2 | C3 | H31 | 106.2° | 109.4° |
| C2 | C3 | H32 | 106.2° | 109.4° |
| C2 | C7 | C6 | 120.8° | 123.8° |
| C2 | C7 | H7 | 119.6° | 118.2° |
| C4 | C3 | H31 | 106.2° | 109.3° |
| C4 | C3 | H32 | 106.2° | 109.3° |
| C3 | C4 | C5 | 112.7° | 108.5° |
| C3 | C4 | N4 | 105.5° | 109.6° |
| C3 | C4 | H4 | 110.1° | 109.6° |
| H31 | C3 | H32 | 112.5° | 109.3° |
| C5 | C4 | N4 | 109.6° | 109.7° |
| C5 | C4 | H4 | 106.0° | 109.6° |
| C4 | C5 | N5 | 110.9° | 109.6° |
| C4 | C5 | C6 | 107.9° | 108.5° |
| C4 | C5 | H5 | 110.3° | 109.6° |
| N4 | C4 | H4 | 113.2° | 109.8° |
| C4 | N4 | HN41 | 109.5° | 111.0° |
| C4 | N4 | HN42 | 109.5° | 111.0° |
| N5 | C5 | C6 | 111.6° | 109.6° |
| N5 | C5 | H5 | 106.5° | 109.6° |
| C5 | N5 | C10 | 120.7° | 120.0° |
| C5 | N5 | HN5 | 119.6° | 120.0° |
| C6 | C5 | H5 | 109.6° | 109.8° |
| C5 | C6 | C7 | 118.3° | 110.2° |
| C5 | C6 | O7 | 115.2° | 109.4° |
| C5 | C6 | H6 | 98.3° | 109.4° |
| C10 | N5 | HN5 | 119.6° | 120.0° |
| N5 | C10 | O10 | 122.0° | 120.0° |
| N5 | C10 | C11 | 115.8° | 120.0° |
| O10 | C10 | C11 | 122.2° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C7 | C6 | O7 | 110.8° | 109.5° |
| C7 | C6 | H6 | 104.1° | 109.2° |
| C6 | C7 | H7 | 119.6° | 118.1° |
| O7 | C6 | H6 | 108.2° | 109.2° |
| C6 | O7 | C8 | 129.2° | 114.0° |
| O7 | C8 | C9 | 107.6° | 109.5° |
| O7 | C8 | C81 | 102.2° | 109.5° |
| O7 | C8 | H8 | 119.6° | 109.4° |
| C9 | C8 | C81 | 120.2° | 109.5° |
| C9 | C8 | H8 | 101.5° | 109.5° |
| C8 | C9 | C91 | 112.6° | 109.5° |
| C8 | C9 | H91 | 108.4° | 109.4° |
| C8 | C9 | H92 | 108.4° | 109.5° |
| C81 | C8 | H8 | 106.9° | 109.5° |
| C8 | C81 | C82 | 112.4° | 109.4° |
| C8 | C81 | H811 | 108.5° | 109.5° |
| C8 | C81 | H812 | 108.5° | 109.5° |
| C91 | C9 | H91 | 108.5° | 109.5° |
| C91 | C9 | H92 | 108.5° | 109.5° |
| C9 | C91 | H911 | 109.5° | 109.4° |
| C9 | C91 | H912 | 109.4° | 109.4° |
| C9 | C91 | H913 | 109.5° | 109.5° |
| H91 | C9 | H92 | 110.5° | 109.4° |
| C82 | C81 | H811 | 108.5° | 109.5° |
| C82 | C81 | H812 | 108.5° | 109.5° |
| C81 | C82 | H821 | 109.5° | 109.5° |
| C81 | C82 | H822 | 109.5° | 109.5° |
| C81 | C82 | H823 | 109.4° | 109.4° |
| H811 | C81 | H812 | 110.4° | 109.5° |
| H821 | C82 | H822 | 109.4° | 109.5° |
| H821 | C82 | H823 | 109.5° | 109.4° |
| H822 | C82 | H823 | 109.5° | 109.5° |
| H911 | C91 | H912 | 109.5° | 109.5° |
| H911 | C91 | H913 | 109.5° | 109.5° |
| H912 | C91 | H913 | 109.5° | 109.5° |
| HN41 | N4 | HN42 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 176.2° | 179.7° |
| O1A | C1 | O1B | HO1 | 0.0° | 0.1° |
| O1A | C1 | C2 | C3 | 167.7° | 180.0° |
| O1A | C1 | C2 | C7 | 5.6° | 0.2° |
| O1B | C1 | C2 | C3 | 8.5° | 0.3° |
| O1B | C1 | C2 | C7 | 178.2° | 179.4° |
| C2 | C1 | O1B | HO1 | 176.2° | 179.7° |
| C1 | C2 | C3 | C7 | 173.5° | 179.8° |
| C1 | C2 | C3 | C4 | 164.2° | 162.8° |
| C1 | C2 | C3 | H31 | 75.8° | 77.0° |
| C1 | C2 | C3 | H32 | 44.2° | 42.6° |
| C1 | C2 | C7 | C6 | 169.7° | 179.8° |
| C1 | C2 | C7 | H7 | 10.3° | 0.4° |
| C2 | C3 | C4 | H31 | 120.0° | 120.2° |
| C2 | C3 | C4 | H32 | 120.0° | 120.2° |
| C2 | C3 | H31 | H32 | 115.8° | 119.7° |
| C2 | C3 | C4 | C5 | 35.5° | 49.7° |
| C2 | C3 | C4 | N4 | 155.0° | 169.5° |
| C2 | C3 | C4 | H4 | 82.6° | 69.9° |
| C3 | C2 | C7 | C6 | 3.8° | 0.1° |
| C3 | C2 | C7 | H7 | 176.2° | 179.8° |
| C7 | C2 | C3 | C4 | 9.3° | 16.9° |
| C7 | C2 | C3 | H31 | 110.7° | 103.3° |
| C7 | C2 | C3 | H32 | 129.3° | 137.1° |
| C2 | C7 | C6 | C5 | 24.6° | 16.7° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | O7 | 160.8° | 137.0° |
| C2 | C7 | C6 | H6 | 83.1° | 103.4° |
| C4 | C3 | H31 | H32 | 115.8° | 119.6° |
| C3 | C4 | C5 | N4 | 117.1° | 119.8° |
| C3 | C4 | C5 | H4 | 120.4° | 119.7° |
| C3 | C4 | N4 | H4 | 120.4° | 120.4° |
| C3 | C4 | C5 | N5 | 173.9° | 172.2° |
| C3 | C4 | C5 | C6 | 51.4° | 68.0° |
| C3 | C4 | C5 | H5 | 68.3° | 51.9° |
| C3 | C4 | N4 | HN41 | 180.0° | 59.9° |
| C3 | C4 | N4 | HN42 | 60.0° | 176.1° |
| H31 | C3 | C4 | C5 | 84.5° | 70.5° |
| H31 | C3 | C4 | N4 | 35.0° | 49.3° |
| H31 | C3 | C4 | H4 | 157.4° | 169.9° |
| H32 | C3 | C4 | C5 | 155.5° | 170.0° |
| H32 | C3 | C4 | N4 | 85.0° | 70.3° |
| H32 | C3 | C4 | H4 | 37.4° | 50.3° |
| C5 | C4 | N4 | H4 | 118.0° | 120.5° |
| C4 | C5 | N5 | C6 | 120.3° | 119.0° |
| C4 | C5 | N5 | H5 | 120.1° | 120.4° |
| C4 | C5 | C6 | H5 | 120.2° | 119.8° |
| C4 | C5 | N5 | C10 | 110.6° | 155.0° |
| C4 | C5 | N5 | HN5 | 69.4° | 25.0° |
| C4 | C5 | C6 | C7 | 48.5° | 49.6° |
| C4 | C5 | C6 | O7 | 177.2° | 169.9° |
| C4 | C5 | C6 | H6 | 62.5° | 70.5° |
| C5 | C4 | N4 | HN41 | 58.5° | 179.0° |
| C5 | C4 | N4 | HN42 | 61.6° | 57.0° |
| N4 | C4 | C5 | N5 | 69.0° | 52.5° |
| N4 | C4 | C5 | C6 | 168.6° | 172.2° |
| N4 | C4 | C5 | H5 | 48.8° | 67.9° |
| C4 | N4 | HN41 | HN42 | 120.0° | 124.0° |
| H4 | C4 | C5 | N5 | 53.5° | 68.1° |
| H4 | C4 | C5 | C6 | 69.0° | 51.6° |
| H4 | C4 | C5 | H5 | 171.3° | 171.5° |
| H4 | C4 | N4 | HN41 | 59.6° | 60.5° |
| H4 | C4 | N4 | HN42 | 179.6° | 63.5° |
| N5 | C5 | C6 | H5 | 117.8° | 120.5° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 1.8° | 0.0° |
| C5 | N5 | C10 | C11 | 180.0° | 180.0° |
| N5 | C5 | C6 | C7 | 170.5° | 169.3° |
| N5 | C5 | C6 | O7 | 55.1° | 70.3° |
| N5 | C5 | C6 | H6 | 59.5° | 49.2° |
| C6 | C5 | N5 | C10 | 129.1° | 86.0° |
| C6 | C5 | N5 | HN5 | 50.9° | 94.1° |
| C5 | C6 | C7 | O7 | 136.2° | 120.3° |
| C5 | C6 | C7 | H6 | 107.7° | 120.2° |
| C5 | C6 | O7 | H6 | 108.8° | 119.7° |
| C5 | C6 | C7 | H7 | 155.4° | 163.1° |
| C5 | C6 | O7 | C8 | 91.2° | 150.0° |
| H5 | C5 | N5 | C10 | 9.5° | 34.6° |
| H5 | C5 | N5 | HN5 | 170.5° | 145.4° |
| H5 | C5 | C6 | C7 | 71.7° | 70.2° |
| H5 | C5 | C6 | O7 | 62.7° | 50.1° |
| H5 | C5 | C6 | H6 | 177.3° | 169.7° |
| N5 | C10 | O10 | C11 | 178.0° | 180.0° |
| N5 | C10 | C11 | H111 | 178.1° | 0.0° |
| N5 | C10 | C11 | H112 | 61.9° | 120.0° |
| N5 | C10 | C11 | H113 | 58.1° | 120.0° |
| HN5 | N5 | C10 | O10 | 178.2° | 180.0° |
| HN5 | N5 | C10 | C11 | 0.0° | 0.0° |
| O10 | C10 | C11 | H111 | 0.0° | 180.0° |
| O10 | C10 | C11 | H112 | 120.0° | 60.0° |
| O10 | C10 | C11 | H113 | 120.0° | 60.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 119.9° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C7 | C6 | O7 | H6 | 113.6° | 119.5° |
| C7 | C6 | O7 | C8 | 131.2° | 89.2° |
| O7 | C6 | C7 | H7 | 19.2° | 42.7° |
| C6 | O7 | C8 | C9 | 78.2° | 150.0° |
| C6 | O7 | C8 | C81 | 154.4° | 90.0° |
| C6 | O7 | C8 | H8 | 36.6° | 30.0° |
| H6 | C6 | C7 | H7 | 96.9° | 76.8° |
| H6 | C6 | O7 | C8 | 17.7° | 30.3° |
| O7 | C8 | C9 | C81 | 116.1° | 120.0° |
| O7 | C8 | C9 | H8 | 126.4° | 119.9° |
| O7 | C8 | C81 | H8 | 126.5° | 120.0° |
| O7 | C8 | C9 | C91 | 58.9° | 65.0° |
| O7 | C8 | C9 | H91 | 178.9° | 55.1° |
| O7 | C8 | C9 | H92 | 61.1° | 175.0° |
| O7 | C8 | C81 | C82 | 63.0° | 65.0° |
| O7 | C8 | C81 | H811 | 177.0° | 175.0° |
| O7 | C8 | C81 | H812 | 57.0° | 55.0° |
| C9 | C8 | C81 | H8 | 114.7° | 120.0° |
| C8 | C9 | C91 | H91 | 120.0° | 120.0° |
| C8 | C9 | C91 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 118.7° | 119.9° |
| C9 | C8 | C81 | C82 | 178.2° | 175.0° |
| C9 | C8 | C81 | H811 | 58.2° | 55.0° |
| C9 | C8 | C81 | H812 | 61.8° | 65.0° |
| C8 | C9 | C91 | H911 | 180.0° | 60.0° |
| C8 | C9 | C91 | H912 | 60.0° | 60.0° |
| C8 | C9 | C91 | H913 | 60.0° | 180.0° |
| C81 | C8 | C9 | C91 | 57.2° | 175.0° |
| C81 | C8 | C9 | H91 | 62.9° | 65.0° |
| C81 | C8 | C9 | H92 | 177.2° | 55.0° |
| C8 | C81 | C82 | H811 | 120.0° | 120.0° |
| C8 | C81 | C82 | H812 | 120.0° | 120.0° |
| C8 | C81 | H811 | H812 | 118.8° | 120.0° |
| C8 | C81 | C82 | H821 | 180.0° | 60.0° |
| C8 | C81 | C82 | H822 | 60.0° | 60.0° |
| C8 | C81 | C82 | H823 | 60.0° | 180.0° |
| H8 | C8 | C9 | C91 | 174.7° | 55.0° |
| H8 | C8 | C9 | H91 | 54.6° | 175.0° |
| H8 | C8 | C9 | H92 | 65.3° | 65.1° |
| H8 | C8 | C81 | C82 | 63.5° | 55.0° |
| H8 | C8 | C81 | H811 | 56.5° | 65.0° |
| H8 | C8 | C81 | H812 | 176.5° | 175.0° |
| C91 | C9 | H91 | H92 | 118.8° | 120.0° |
| C9 | C91 | H911 | H912 | 120.0° | 119.9° |
| C9 | C91 | H911 | H913 | 120.0° | 120.0° |
| C9 | C91 | H912 | H913 | 120.0° | 120.0° |
| H91 | C9 | C91 | H911 | 60.0° | 180.0° |
| H91 | C9 | C91 | H912 | 180.0° | 60.0° |
| H91 | C9 | C91 | H913 | 60.0° | 60.0° |
| H92 | C9 | C91 | H911 | 60.0° | 60.0° |
| H92 | C9 | C91 | H912 | 60.0° | 180.0° |
| H92 | C9 | C91 | H913 | 180.0° | 60.0° |
| C82 | C81 | H811 | H812 | 118.8° | 120.0° |
| C81 | C82 | H821 | H822 | 120.0° | 120.1° |
| C81 | C82 | H821 | H823 | 120.0° | 120.0° |
| C81 | C82 | H822 | H823 | 120.0° | 120.0° |
| H811 | C81 | C82 | H821 | 60.0° | 180.0° |
| H811 | C81 | C82 | H822 | 180.0° | 60.0° |
| H811 | C81 | C82 | H823 | 60.0° | 60.0° |
| H812 | C81 | C82 | H821 | 60.0° | 59.9° |
| H812 | C81 | C82 | H822 | 60.0° | NaN° |
| H812 | C81 | C82 | H823 | 180.0° | 60.0° |
| H821 | C82 | H822 | H823 | 120.0° | 120.0° |
| H911 | C91 | H912 | H913 | 120.0° | 120.1° |
