O7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N27 | C26 | sing | 1.35Å | 1.33Å | Aromatic |
| N27 | C23 | sing | 1.37Å | 1.33Å | Aromatic |
| C26 | N25 | doub | 1.30Å | 1.33Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C04 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | doub | 1.35Å | 1.37Å | Aromatic |
| C02 | O01 | sing | 1.34Å | 1.25Å | |
| C02 | C04 | sing | 1.51Å | 1.54Å | |
| N25 | C24 | sing | 1.34Å | 1.33Å | Aromatic |
| C04 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C06 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| O20 | C19 | doub | 1.21Å | 1.26Å | |
| O17 | C16 | doub | 1.21Å | 1.27Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C16 | O18 | sing | 1.34Å | 1.25Å | |
| N12 | C08 | sing | 1.47Å | 1.45Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C19 | O21 | sing | 1.34Å | 1.24Å | |
| C19 | C13 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.51Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C09 | O11 | doub | 1.21Å | 1.25Å | |
| C09 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| N05 | H2 | sing | 1.01Å | 1.00Å | |
| N12 | H121 | sing | 1.01Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| O18 | H6 | sing | 0.97Å | 0.95Å | |
| O21 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N27 | C23 | 108.0° | 107.2° |
| N27 | C26 | N25 | 109.5° | 108.7° |
| N27 | C26 | H261 | 125.3° | 125.6° |
| C26 | N27 | H271 | 126.0° | 126.5° |
| N27 | C23 | C22 | 125.5° | 126.6° |
| N27 | C23 | C24 | 107.4° | 106.8° |
| C23 | N27 | H271 | 126.0° | 126.3° |
| C26 | N25 | C24 | 108.0° | 109.3° |
| N25 | C26 | H261 | 125.3° | 125.7° |
| O03 | C02 | O01 | 119.4° | 120.0° |
| O03 | C02 | C04 | 122.2° | 120.0° |
| C23 | C22 | C04 | 114.6° | 109.4° |
| C22 | C23 | C24 | 127.1° | 126.6° |
| C23 | C22 | H222 | 108.1° | 109.5° |
| C23 | C22 | H221 | 108.2° | 109.5° |
| C22 | C04 | C02 | 101.6° | 109.5° |
| C22 | C04 | N05 | 112.7° | 109.5° |
| C22 | C04 | H041 | 109.6° | 109.4° |
| C04 | C22 | H222 | 108.2° | 109.5° |
| C04 | C22 | H221 | 108.1° | 109.5° |
| C23 | C24 | N25 | 107.1° | 108.0° |
| C23 | C24 | H241 | 126.4° | 126.0° |
| O01 | C02 | C04 | 118.4° | 120.0° |
| C02 | O01 | H5 | 109.5° | 117.0° |
| C02 | C04 | N05 | 112.7° | 109.5° |
| C02 | C04 | H041 | 109.4° | 109.5° |
| N25 | C24 | H241 | 126.4° | 126.0° |
| C04 | N05 | C06 | 108.4° | 111.0° |
| N05 | C04 | H041 | 110.5° | 109.5° |
| C04 | N05 | H2 | 109.7° | 111.0° |
| N05 | C06 | C07 | 111.6° | 109.5° |
| N05 | C06 | H061 | 108.9° | 109.5° |
| N05 | C06 | H062 | 109.0° | 109.5° |
| C06 | N05 | H2 | 109.7° | 111.0° |
| C06 | C07 | C08 | 112.5° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.5° |
| C07 | C06 | H062 | 108.9° | 109.4° |
| C06 | C07 | H072 | 108.7° | 109.5° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| O20 | C19 | O21 | 122.0° | 120.0° |
| O20 | C19 | C13 | 120.0° | 120.0° |
| O17 | C16 | C15 | 121.4° | 120.0° |
| O17 | C16 | O18 | 119.9° | 120.0° |
| C07 | C08 | N12 | 111.2° | 109.5° |
| C07 | C08 | C09 | 104.4° | 109.5° |
| C08 | C07 | H072 | 108.7° | 109.5° |
| C08 | C07 | H071 | 108.7° | 109.5° |
| C07 | C08 | H081 | 110.5° | 109.5° |
| C16 | C15 | C14 | 109.0° | 109.5° |
| C15 | C16 | O18 | 118.7° | 120.0° |
| C16 | C15 | H151 | 109.6° | 109.5° |
| C16 | C15 | H152 | 109.6° | 109.5° |
| C15 | C14 | C13 | 113.9° | 109.5° |
| C15 | C14 | H141 | 108.3° | 109.5° |
| C15 | C14 | H142 | 108.3° | 109.5° |
| C14 | C15 | H151 | 109.6° | 109.4° |
| C14 | C15 | H152 | 109.6° | 109.4° |
| C16 | O18 | H6 | 109.5° | 117.0° |
| C08 | N12 | C13 | 105.8° | 111.0° |
| N12 | C08 | C09 | 108.9° | 109.5° |
| N12 | C08 | H081 | 111.6° | 109.5° |
| C08 | N12 | H121 | 110.3° | 111.0° |
| N12 | C13 | C19 | 109.9° | 109.5° |
| N12 | C13 | C14 | 112.7° | 109.4° |
| N12 | C13 | H131 | 108.7° | 109.5° |
| C13 | N12 | H121 | 110.4° | 111.1° |
| O21 | C19 | C13 | 118.0° | 120.0° |
| C19 | O21 | H7 | 109.5° | 117.0° |
| C19 | C13 | C14 | 109.6° | 109.5° |
| C19 | C13 | H131 | 107.8° | 109.5° |
| C08 | C09 | O11 | 118.6° | 120.0° |
| C08 | C09 | O10 | 120.9° | 120.0° |
| C09 | C08 | H081 | 110.1° | 109.5° |
| C14 | C13 | H131 | 107.9° | 109.4° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| O11 | C09 | O10 | 120.6° | 120.0° |
| C09 | O10 | H1 | 109.5° | 117.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N27 | C23 | H271 | 180.0° | 179.7° |
| N27 | C26 | N25 | H261 | 180.0° | 179.8° |
| C26 | N27 | C23 | C22 | 178.7° | 180.0° |
| C26 | N27 | C23 | C24 | 1.4° | 0.4° |
| N27 | C26 | N25 | C24 | 0.8° | 0.2° |
| C23 | N27 | C26 | N25 | 1.4° | 0.3° |
| N27 | C23 | C22 | C24 | 179.9° | 179.6° |
| N27 | C23 | C22 | C04 | 172.6° | 95.3° |
| N27 | C23 | C24 | N25 | 0.9° | 0.3° |
| N27 | C23 | C22 | H222 | 51.9° | 144.7° |
| N27 | C23 | C22 | H221 | 66.6° | 24.7° |
| N27 | C23 | C24 | H241 | 179.1° | 179.8° |
| C23 | N27 | C26 | H261 | 178.7° | 179.8° |
| C26 | N25 | C24 | C23 | 0.1° | 0.1° |
| C26 | N25 | C24 | H241 | 179.9° | 180.0° |
| N25 | C26 | N27 | H271 | 178.6° | 180.0° |
| O03 | C02 | C04 | C22 | 98.0° | 120.0° |
| O03 | C02 | O01 | C04 | 179.9° | 180.0° |
| O03 | C02 | C04 | N05 | 141.1° | 0.0° |
| O03 | C02 | C04 | H041 | 17.8° | 120.0° |
| O03 | C02 | O01 | H5 | 0.0° | 0.0° |
| C23 | C22 | C04 | H222 | 120.7° | 120.0° |
| C23 | C22 | C04 | H221 | 120.8° | 120.0° |
| C23 | C22 | C04 | C02 | 166.4° | 175.0° |
| C22 | C23 | C24 | N25 | 179.2° | 180.0° |
| C23 | C22 | C04 | N05 | 72.8° | 65.0° |
| C23 | C22 | C04 | H041 | 50.8° | 55.0° |
| C23 | C22 | H222 | H221 | 117.7° | 120.0° |
| C22 | C23 | C24 | H241 | 0.8° | 0.2° |
| C22 | C23 | N27 | H271 | 1.3° | 0.2° |
| C04 | C22 | C23 | C24 | 7.3° | 85.1° |
| C22 | C04 | C02 | O01 | 82.1° | 60.0° |
| C22 | C04 | C02 | N05 | 120.9° | 120.0° |
| C22 | C04 | C02 | H041 | 115.8° | 120.0° |
| C22 | C04 | N05 | H041 | 123.0° | 119.9° |
| C22 | C04 | N05 | C06 | 171.4° | 155.0° |
| C04 | C22 | H222 | H221 | 117.6° | 120.0° |
| C22 | C04 | N05 | H2 | 51.6° | 81.1° |
| C23 | C24 | N25 | H241 | 180.0° | 179.9° |
| C24 | C23 | C22 | H222 | 128.0° | 34.9° |
| C24 | C23 | C22 | H221 | 113.5° | 154.9° |
| C24 | C23 | N27 | H271 | 178.6° | 179.9° |
| O01 | C02 | C04 | N05 | 38.8° | 180.0° |
| O01 | C02 | C04 | H041 | 162.1° | 60.0° |
| C02 | C04 | N05 | H041 | 122.7° | 120.0° |
| C02 | C04 | N05 | C06 | 57.2° | 85.0° |
| C02 | C04 | C22 | H222 | 45.6° | 65.0° |
| C02 | C04 | C22 | H221 | 72.9° | 55.0° |
| C02 | C04 | N05 | H2 | 62.6° | 38.9° |
| C04 | C02 | O01 | H5 | 179.9° | 180.0° |
| C24 | N25 | C26 | H261 | 179.2° | 180.0° |
| C04 | N05 | C06 | H2 | 119.8° | 123.9° |
| C04 | N05 | C06 | C07 | 178.1° | 180.0° |
| C04 | N05 | C06 | H061 | 57.8° | 60.0° |
| C04 | N05 | C06 | H062 | 61.5° | 60.1° |
| N05 | C04 | C22 | H222 | 166.5° | 55.0° |
| N05 | C04 | C22 | H221 | 48.0° | 175.0° |
| N05 | C06 | C07 | H061 | 120.3° | 120.0° |
| N05 | C06 | C07 | H062 | 120.3° | 120.0° |
| N05 | C06 | C07 | C08 | 83.1° | 180.0° |
| C06 | N05 | C04 | H041 | 65.5° | 35.1° |
| N05 | C06 | H061 | H062 | 119.1° | 120.0° |
| N05 | C06 | C07 | H072 | 156.4° | 60.0° |
| N05 | C06 | C07 | H071 | 37.3° | 59.9° |
| C06 | C07 | C08 | H072 | 120.4° | 120.0° |
| C06 | C07 | C08 | H071 | 120.5° | 120.0° |
| C06 | C07 | C08 | N12 | 72.1° | 65.0° |
| C06 | C07 | C08 | C09 | 170.7° | 175.0° |
| C07 | C06 | H061 | H062 | 119.0° | 120.0° |
| C06 | C07 | H072 | H071 | 118.6° | 119.9° |
| C06 | C07 | C08 | H081 | 52.4° | 55.0° |
| C07 | C06 | N05 | H2 | 62.0° | 56.1° |
| O20 | C19 | C13 | N12 | 30.4° | 0.0° |
| O20 | C19 | O21 | C13 | 178.3° | 180.0° |
| O20 | C19 | C13 | C14 | 94.0° | 120.0° |
| O20 | C19 | C13 | H131 | 148.7° | 120.0° |
| O20 | C19 | O21 | H7 | 0.0° | 0.0° |
| O17 | C16 | C15 | O18 | 179.7° | 180.0° |
| O17 | C16 | C15 | C14 | 123.3° | 0.0° |
| O17 | C16 | C15 | H151 | 3.4° | 120.0° |
| O17 | C16 | C15 | H152 | 116.8° | 120.0° |
| O17 | C16 | O18 | H6 | 0.0° | 0.0° |
| C07 | C08 | N12 | C09 | 114.5° | 120.0° |
| C07 | C08 | N12 | H081 | 123.8° | 120.0° |
| C07 | C08 | N12 | C13 | 168.0° | 155.0° |
| C07 | C08 | C09 | H081 | 118.6° | 120.0° |
| C07 | C08 | C09 | O11 | 110.9° | 120.0° |
| C07 | C08 | C09 | O10 | 68.0° | 60.0° |
| C08 | C07 | C06 | H061 | 37.2° | 60.0° |
| C08 | C07 | C06 | H062 | 156.5° | 60.0° |
| C08 | C07 | H072 | H071 | 118.7° | 120.0° |
| C07 | C08 | N12 | H121 | 72.6° | 81.0° |
| C16 | C15 | C14 | H151 | 119.9° | 120.0° |
| C16 | C15 | C14 | H152 | 119.9° | 120.0° |
| C16 | C15 | C14 | C13 | 173.9° | 180.0° |
| C16 | C15 | C14 | H141 | 65.4° | 60.0° |
| C16 | C15 | C14 | H142 | 53.2° | 60.0° |
| C16 | C15 | H151 | H152 | 120.3° | 120.1° |
| C15 | C16 | O18 | H6 | 179.7° | 180.0° |
| C14 | C15 | C16 | O18 | 56.5° | 180.0° |
| C15 | C14 | C13 | N12 | 61.0° | 65.0° |
| C15 | C14 | C13 | C19 | 61.8° | 175.0° |
| C15 | C14 | C13 | H141 | 120.7° | 120.0° |
| C15 | C14 | C13 | H142 | 120.6° | 120.1° |
| C15 | C14 | C13 | H131 | 179.0° | 55.0° |
| C15 | C14 | H141 | H142 | 117.9° | 120.0° |
| C14 | C15 | H151 | H152 | 120.2° | 119.9° |
| O18 | C16 | C15 | H151 | 176.4° | 60.0° |
| O18 | C16 | C15 | H152 | 63.5° | 60.0° |
| C08 | N12 | C13 | H121 | 119.4° | 123.9° |
| C08 | N12 | C13 | C19 | 81.7° | 85.0° |
| N12 | C08 | C09 | H081 | 122.6° | 120.0° |
| C08 | N12 | C13 | C14 | 155.7° | 155.0° |
| N12 | C08 | C09 | O11 | 8.0° | 0.0° |
| N12 | C08 | C09 | O10 | 173.1° | 180.0° |
| C08 | N12 | C13 | H131 | 36.1° | 35.0° |
| N12 | C08 | C07 | H072 | 167.5° | 175.0° |
| N12 | C08 | C07 | H071 | 48.4° | 55.0° |
| N12 | C13 | C19 | O21 | 147.9° | 179.9° |
| N12 | C13 | C19 | C14 | 124.4° | 120.0° |
| N12 | C13 | C19 | H131 | 118.3° | 120.1° |
| C13 | N12 | C08 | C09 | 77.6° | 85.0° |
| N12 | C13 | C14 | H131 | 120.1° | 120.0° |
| N12 | C13 | C14 | H141 | 59.7° | 55.0° |
| N12 | C13 | C14 | H142 | 178.4° | 174.9° |
| C13 | N12 | C08 | H081 | 44.2° | 35.0° |
| O21 | C19 | C13 | C14 | 87.7° | 60.0° |
| O21 | C19 | C13 | H131 | 29.6° | 60.0° |
| C19 | C13 | C14 | H131 | 117.2° | 120.0° |
| C19 | C13 | C14 | H141 | 177.5° | 65.0° |
| C19 | C13 | C14 | H142 | 58.8° | 54.9° |
| C19 | C13 | N12 | H121 | 158.9° | 151.1° |
| C13 | C19 | O21 | H7 | 178.3° | 180.0° |
| C08 | C09 | O11 | O10 | 178.9° | 180.0° |
| C08 | C09 | O10 | H1 | 178.9° | 180.0° |
| C09 | C08 | C07 | H072 | 50.3° | 55.0° |
| C09 | C08 | C07 | H071 | 68.9° | 65.0° |
| C09 | C08 | N12 | H121 | 41.9° | 39.0° |
| C13 | C14 | H141 | H142 | 118.0° | 120.0° |
| C13 | C14 | C15 | H151 | 54.0° | 60.0° |
| C13 | C14 | C15 | H152 | 66.2° | 60.0° |
| C14 | C13 | N12 | H121 | 36.3° | 31.1° |
| O11 | C09 | O10 | H1 | 0.0° | 0.0° |
| O11 | C09 | C08 | H081 | 130.6° | 120.0° |
| O10 | C09 | C08 | H081 | 50.5° | 60.0° |
| H131 | C13 | C14 | H141 | 60.4° | 175.0° |
| H131 | C13 | C14 | H142 | 58.3° | 65.1° |
| H131 | C13 | N12 | H121 | 83.3° | 88.9° |
| H141 | C14 | C15 | H151 | 174.6° | 180.0° |
| H141 | C14 | C15 | H152 | 54.5° | 60.0° |
| H142 | C14 | C15 | H151 | 66.7° | 60.0° |
| H142 | C14 | C15 | H152 | 173.2° | 180.0° |
| H041 | C04 | C22 | H222 | 70.0° | 175.0° |
| H041 | C04 | C22 | H221 | 171.5° | 65.0° |
| H041 | C04 | N05 | H2 | 174.7° | 159.0° |
| H061 | C06 | C07 | H072 | 83.3° | 60.0° |
| H061 | C06 | C07 | H071 | 157.6° | 179.9° |
| H061 | C06 | N05 | H2 | 177.7° | 63.9° |
| H062 | C06 | C07 | H072 | 36.1° | 180.0° |
| H062 | C06 | C07 | H071 | 83.0° | 60.0° |
| H062 | C06 | N05 | H2 | 58.3° | 176.0° |
| H072 | C07 | C08 | H081 | 68.1° | 65.0° |
| H071 | C07 | C08 | H081 | 172.8° | 175.0° |
| H081 | C08 | N12 | H121 | 163.6° | 159.0° |
| H261 | C26 | N27 | H271 | 1.3° | 0.1° |
