7RW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C06 | sing | 1.46Å | 1.47Å | |
| N05 | C04 | sing | 1.39Å | 1.44Å | |
| N03 | C04 | doub | 1.33Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.33Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | sing | 1.35Å | 1.36Å | |
| C04 | N10 | sing | 1.32Å | 1.30Å | Aromatic |
| C02 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.36Å | |
| C07 | C09 | sing | 1.53Å | 1.36Å | |
| C08 | C09 | sing | 1.53Å | 1.36Å | |
| N10 | C11 | doub | 1.33Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.46Å | 1.51Å | Aromatic |
| C11 | N15 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.36Å | Aromatic |
| N15 | C14 | sing | 1.37Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.46Å | 1.44Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| O26 | C17 | doub | 1.21Å | 1.20Å | |
| C17 | N18 | sing | 1.35Å | 1.43Å | |
| N18 | C19 | sing | 1.40Å | 1.43Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | CL25 | sing | 1.74Å | 1.72Å | |
| N22 | C23 | sing | 1.32Å | 1.31Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | N05 | C04 | 119.7° | 120.0° |
| N05 | C06 | C07 | 115.1° | 109.5° |
| N05 | C06 | H061 | 108.1° | 109.5° |
| N05 | C06 | H062 | 108.1° | 109.4° |
| C06 | N05 | H051 | 106.9° | 120.0° |
| N05 | C04 | N03 | 117.7° | 118.8° |
| N05 | C04 | N10 | 119.1° | 118.7° |
| C04 | N05 | H051 | 106.8° | 120.0° |
| C04 | N03 | C02 | 121.3° | 121.0° |
| N03 | C04 | N10 | 123.2° | 122.5° |
| N03 | C02 | O01 | 121.1° | 120.7° |
| N03 | C02 | C12 | 117.7° | 118.5° |
| C06 | C07 | C08 | 150.0° | 117.5° |
| C06 | C07 | C09 | 150.0° | 117.5° |
| C07 | C06 | H061 | 108.0° | 109.5° |
| C07 | C06 | H062 | 108.0° | 109.5° |
| C06 | C07 | H2 | 90.1° | 115.6° |
| O01 | C02 | C12 | 121.2° | 120.8° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C04 | N10 | C11 | 117.5° | 120.6° |
| C02 | C12 | C11 | 118.5° | 118.8° |
| C02 | C12 | C13 | 133.6° | 135.0° |
| C08 | C07 | C09 | 60.0° | 60.0° |
| C07 | C08 | C09 | 59.9° | 60.0° |
| C07 | C08 | H1 | 120.0° | 117.5° |
| C07 | C08 | H081 | 120.0° | 117.5° |
| C08 | C07 | H2 | 90.1° | 117.5° |
| C07 | C09 | C08 | 60.1° | 60.0° |
| C07 | C09 | H091 | 120.0° | 117.5° |
| C09 | C07 | H2 | 90.1° | 117.5° |
| C07 | C09 | H3 | 120.0° | 117.5° |
| C09 | C08 | H1 | 120.0° | 117.5° |
| C09 | C08 | H081 | 120.0° | 117.5° |
| C08 | C09 | H091 | 120.0° | 117.5° |
| C08 | C09 | H3 | 120.0° | 117.5° |
| N10 | C11 | C12 | 121.8° | 118.6° |
| N10 | C11 | N15 | 130.6° | 134.2° |
| C11 | C12 | C13 | 107.9° | 106.2° |
| C12 | C11 | N15 | 107.5° | 107.2° |
| C12 | C13 | C14 | 104.7° | 106.8° |
| C12 | C13 | H131 | 127.6° | 126.6° |
| C11 | N15 | C14 | 110.8° | 110.0° |
| C11 | N15 | C16 | 125.5° | 125.0° |
| C13 | C14 | N15 | 109.1° | 109.8° |
| C14 | C13 | H131 | 127.7° | 126.6° |
| C13 | C14 | H141 | 125.5° | 125.0° |
| C14 | N15 | C16 | 123.7° | 125.0° |
| N15 | C14 | H141 | 125.5° | 125.1° |
| N15 | C16 | C17 | 112.5° | 109.5° |
| N15 | C16 | H162 | 108.7° | 109.5° |
| N15 | C16 | H161 | 108.7° | 109.5° |
| C16 | C17 | O26 | 125.0° | 120.0° |
| C16 | C17 | N18 | 111.3° | 120.0° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| O26 | C17 | N18 | 123.6° | 120.0° |
| C17 | N18 | C19 | 124.6° | 120.0° |
| C17 | N18 | H181 | 117.7° | 120.0° |
| N18 | C19 | C20 | 123.4° | 120.9° |
| N18 | C19 | C24 | 117.2° | 120.8° |
| C19 | N18 | H181 | 117.7° | 120.0° |
| C19 | C20 | C21 | 119.0° | 119.1° |
| C20 | C19 | C24 | 119.4° | 118.3° |
| C19 | C20 | H201 | 120.5° | 120.4° |
| C20 | C21 | N22 | 120.7° | 120.8° |
| C21 | C20 | H201 | 120.5° | 120.5° |
| C20 | C21 | H211 | 119.6° | 119.6° |
| C19 | C24 | C23 | 118.6° | 119.0° |
| C19 | C24 | CL25 | 121.0° | 120.5° |
| C21 | N22 | C23 | 121.0° | 121.9° |
| N22 | C21 | H211 | 119.7° | 119.6° |
| C23 | C24 | CL25 | 120.4° | 120.5° |
| C24 | C23 | N22 | 121.4° | 120.9° |
| C24 | C23 | H231 | 119.3° | 119.6° |
| N22 | C23 | H231 | 119.3° | 119.6° |
| H162 | C16 | H161 | 109.4° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H1 | C08 | H081 | 109.5° | 115.6° |
| H091 | C09 | H3 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | N05 | C04 | H051 | 121.4° | 180.0° |
| C06 | N05 | C04 | N03 | 179.8° | 0.1° |
| N05 | C06 | C07 | H061 | 120.8° | 120.0° |
| N05 | C06 | C07 | H062 | 120.8° | 120.0° |
| C06 | N05 | C04 | N10 | 0.8° | 180.0° |
| N05 | C06 | C07 | C08 | 155.9° | 175.0° |
| N05 | C06 | C07 | C09 | 23.1° | 116.3° |
| N05 | C06 | H061 | H062 | 117.5° | 120.0° |
| N05 | C06 | C07 | H2 | 113.6° | 29.3° |
| N05 | C04 | N03 | N10 | 179.4° | 179.9° |
| N05 | C04 | N03 | C02 | 178.8° | 179.9° |
| C04 | N05 | C06 | C07 | 83.4° | 180.0° |
| N05 | C04 | N10 | C11 | 178.8° | 180.0° |
| C04 | N05 | C06 | H061 | 155.8° | 60.0° |
| C04 | N05 | C06 | H062 | 37.4° | 60.0° |
| C04 | N03 | C02 | O01 | 179.3° | 180.0° |
| C04 | N03 | C02 | C12 | 0.5° | 0.0° |
| N03 | C04 | N10 | C11 | 0.6° | 0.1° |
| N03 | C04 | N05 | H051 | 58.7° | 179.9° |
| N03 | C02 | O01 | C12 | 179.9° | 179.9° |
| C02 | N03 | C04 | N10 | 0.6° | 0.1° |
| N03 | C02 | C12 | C11 | 0.5° | 0.0° |
| N03 | C02 | C12 | C13 | 179.5° | 180.0° |
| N03 | C02 | O01 | H011 | 0.0° | 90.0° |
| C06 | C07 | C08 | C09 | 179.4° | 107.5° |
| C06 | C07 | C08 | H2 | 90.5° | 145.0° |
| C06 | C07 | C09 | H2 | 90.5° | 145.0° |
| C07 | C06 | H061 | H062 | 117.4° | 120.0° |
| C06 | C07 | C08 | H1 | 70.0° | 0.0° |
| C06 | C07 | C08 | H081 | 71.1° | 145.0° |
| C06 | C07 | C09 | H091 | 71.1° | 145.0° |
| C07 | C06 | N05 | H051 | 155.2° | 0.0° |
| C06 | C07 | C09 | H3 | 69.9° | 0.1° |
| O01 | C02 | C12 | C11 | 179.4° | 180.0° |
| O01 | C02 | C12 | C13 | 0.6° | 0.1° |
| C04 | N10 | C11 | C12 | 0.6° | 0.2° |
| C04 | N10 | C11 | N15 | 179.5° | 179.7° |
| N10 | C04 | N05 | H051 | 120.7° | 0.0° |
| C02 | C12 | C11 | N10 | 0.5° | 0.1° |
| C02 | C12 | C11 | C13 | 180.0° | 180.0° |
| C02 | C12 | C11 | N15 | 179.7° | 179.8° |
| C02 | C12 | C13 | C14 | 179.7° | 180.0° |
| C02 | C12 | C13 | H131 | 0.3° | 0.3° |
| C12 | C02 | O01 | H011 | 179.9° | 90.0° |
| C08 | C07 | C09 | H2 | 90.1° | 107.5° |
| C07 | C08 | C09 | H1 | 109.4° | 107.5° |
| C07 | C08 | C09 | H081 | 109.4° | 107.4° |
| C08 | C07 | C06 | H061 | 35.1° | 55.0° |
| C08 | C07 | C06 | H062 | 83.3° | 65.0° |
| C07 | C08 | H1 | H081 | 144.8° | 145.7° |
| C08 | C07 | C09 | H091 | 109.5° | 107.5° |
| C08 | C07 | C09 | H3 | 109.5° | 107.5° |
| C09 | C07 | C06 | H061 | 143.9° | 123.7° |
| C09 | C07 | C06 | H062 | 97.7° | 3.6° |
| C07 | C09 | H091 | H3 | 144.7° | 145.7° |
| C09 | C08 | H1 | H081 | 144.8° | 145.8° |
| C08 | C09 | H091 | H3 | 144.7° | 145.6° |
| N10 | C11 | C12 | N15 | 179.1° | 179.7° |
| N10 | C11 | C12 | C13 | 179.5° | 179.9° |
| N10 | C11 | N15 | C14 | 179.3° | 180.0° |
| N10 | C11 | N15 | C16 | 2.0° | 0.4° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | N15 | C14 | 0.3° | 0.4° |
| C12 | C11 | N15 | C16 | 179.0° | 180.0° |
| C11 | C12 | C13 | H131 | 179.7° | 179.7° |
| C13 | C12 | C11 | N15 | 0.3° | 0.3° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | N15 | 0.1° | 0.2° |
| C12 | C13 | C14 | H141 | 179.9° | 179.7° |
| C11 | N15 | C14 | C13 | 0.1° | 0.4° |
| C11 | N15 | C14 | C16 | 178.7° | 179.6° |
| C11 | N15 | C16 | C17 | 74.5° | 85.0° |
| C11 | N15 | C16 | H162 | 46.0° | 35.0° |
| C11 | N15 | C16 | H161 | 165.1° | 155.0° |
| C11 | N15 | C14 | H141 | 179.9° | 179.6° |
| C13 | C14 | N15 | H141 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 178.8° | 179.9° |
| C14 | N15 | C16 | C17 | 107.0° | 94.5° |
| N15 | C14 | C13 | H131 | 179.9° | 179.9° |
| C14 | N15 | C16 | H162 | 132.5° | 145.4° |
| C14 | N15 | C16 | H161 | 13.4° | 25.4° |
| N15 | C16 | C17 | H162 | 120.5° | 120.0° |
| N15 | C16 | C17 | H161 | 120.5° | 120.0° |
| N15 | C16 | C17 | O26 | 0.5° | 0.0° |
| N15 | C16 | C17 | N18 | 179.1° | 180.0° |
| N15 | C16 | H162 | H161 | 118.6° | 120.0° |
| C16 | N15 | C14 | H141 | 1.2° | 0.1° |
| C16 | C17 | O26 | N18 | 178.4° | 180.0° |
| C16 | C17 | N18 | C19 | 179.9° | 175.8° |
| C17 | C16 | H162 | H161 | 118.6° | 120.0° |
| C16 | C17 | N18 | H181 | 0.0° | 4.2° |
| O26 | C17 | N18 | C19 | 1.4° | 4.2° |
| O26 | C17 | C16 | H162 | 121.0° | 120.0° |
| O26 | C17 | C16 | H161 | 120.0° | 120.0° |
| O26 | C17 | N18 | H181 | 178.6° | 175.8° |
| C17 | N18 | C19 | H181 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 25.1° | 34.0° |
| C17 | N18 | C19 | C24 | 156.0° | 146.2° |
| N18 | C17 | C16 | H162 | 60.4° | 60.0° |
| N18 | C17 | C16 | H161 | 58.6° | 60.0° |
| N18 | C19 | C20 | C24 | 178.9° | 179.7° |
| N18 | C19 | C20 | C21 | 179.2° | 179.8° |
| N18 | C19 | C24 | C23 | 178.6° | 179.7° |
| N18 | C19 | C24 | CL25 | 1.1° | 0.2° |
| N18 | C19 | C20 | H201 | 0.8° | 0.3° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 0.5° | 0.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.0° |
| C20 | C19 | C24 | CL25 | 177.8° | 180.0° |
| C19 | C20 | C21 | H211 | 179.6° | 180.0° |
| C20 | C19 | N18 | H181 | 154.9° | 145.9° |
| C21 | C20 | C19 | C24 | 0.3° | 0.0° |
| C20 | C21 | N22 | H211 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 0.1° | 0.0° |
| C19 | C24 | C23 | CL25 | 177.5° | 180.0° |
| C19 | C24 | C23 | N22 | 0.9° | 0.1° |
| C24 | C19 | C20 | H201 | 179.7° | 180.0° |
| C19 | C24 | C23 | H231 | 179.1° | 179.9° |
| C24 | C19 | N18 | H181 | 24.0° | 33.8° |
| C21 | N22 | C23 | C24 | 0.8° | 0.1° |
| N22 | C21 | C20 | H201 | 179.5° | 180.0° |
| C21 | N22 | C23 | H231 | 179.2° | 180.0° |
| C24 | C23 | N22 | H231 | 180.0° | 179.9° |
| CL25 | C24 | C23 | N22 | 178.4° | 180.0° |
| CL25 | C24 | C23 | H231 | 1.6° | 0.1° |
| C23 | N22 | C21 | H211 | 179.9° | 179.9° |
| H131 | C13 | C14 | H141 | 0.1° | 0.0° |
| H201 | C20 | C21 | H211 | 0.4° | 0.1° |
| H061 | C06 | N05 | H051 | 34.4° | 120.0° |
| H061 | C06 | C07 | H2 | 125.6° | 90.7° |
| H062 | C06 | N05 | H051 | 84.0° | 120.0° |
| H062 | C06 | C07 | H2 | 7.2° | 149.3° |
| H1 | C08 | C09 | H091 | 141.1° | 145.0° |
| H1 | C08 | C07 | H2 | 160.5° | 145.0° |
| H1 | C08 | C09 | H3 | 0.1° | 0.1° |
| H081 | C08 | C09 | H091 | 0.1° | 0.1° |
| H081 | C08 | C07 | H2 | 19.4° | 0.0° |
| H081 | C08 | C09 | H3 | 141.1° | 145.0° |
| H091 | C09 | C07 | H2 | 19.4° | 0.0° |
| H2 | C07 | C09 | H3 | 160.4° | 145.1° |
