7WZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.22Å | 1.40Å | |
| C01 | N02 | sing | 1.47Å | 1.43Å | |
| C17 | N02 | sing | 1.35Å | 1.30Å | |
| C17 | C15 | sing | 1.40Å | 1.39Å | |
| N02 | N03 | sing | 1.40Å | 1.33Å | |
| CL16 | C15 | sing | 1.74Å | 1.77Å | |
| C15 | C05 | doub | 1.38Å | 1.42Å | |
| N03 | C04 | doub | 1.30Å | 1.31Å | |
| C05 | C04 | sing | 1.41Å | 1.41Å | |
| C05 | N06 | sing | 1.38Å | 1.47Å | |
| N06 | C07 | sing | 1.40Å | 1.46Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N06 | H11 | sing | 0.97Å | 1.00Å | |
| N12 | H12 | sing | 1.01Å | 1.00Å | |
| N12 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | N02 | 120.7° | 120.3° |
| O18 | C17 | C15 | 120.1° | 120.2° |
| C01 | N02 | C17 | 118.4° | 119.7° |
| C01 | N02 | N03 | 118.1° | 119.6° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.4° | 109.4° |
| N02 | C17 | C15 | 119.2° | 119.6° |
| C17 | N02 | N03 | 123.5° | 120.6° |
| C17 | C15 | CL16 | 118.9° | 120.5° |
| C17 | C15 | C05 | 119.4° | 119.0° |
| N02 | N03 | C04 | 120.3° | 121.0° |
| CL16 | C15 | C05 | 121.6° | 120.5° |
| C15 | C05 | C04 | 115.9° | 119.4° |
| C15 | C05 | N06 | 119.9° | 120.3° |
| N03 | C04 | C05 | 121.6° | 120.5° |
| N03 | C04 | H7 | 119.2° | 119.8° |
| C04 | C05 | N06 | 124.2° | 120.3° |
| C05 | C04 | H7 | 119.2° | 119.8° |
| C05 | N06 | C07 | 122.7° | 120.0° |
| C05 | N06 | H11 | 118.6° | 120.0° |
| N06 | C07 | C08 | 123.3° | 120.1° |
| N06 | C07 | C14 | 117.3° | 120.1° |
| C07 | N06 | H11 | 118.6° | 120.0° |
| C08 | C07 | C14 | 119.4° | 119.8° |
| C07 | C08 | C09 | 120.7° | 120.0° |
| C07 | C08 | H8 | 119.6° | 120.0° |
| C07 | C14 | C13 | 120.0° | 119.9° |
| C07 | C14 | H3 | 120.0° | 120.0° |
| C08 | C09 | C10 | 119.0° | 120.0° |
| C09 | C08 | H8 | 119.7° | 120.0° |
| C08 | C09 | H9 | 120.5° | 120.0° |
| C14 | C13 | C10 | 120.2° | 120.1° |
| C13 | C14 | H3 | 120.0° | 120.1° |
| C14 | C13 | H10 | 119.9° | 120.0° |
| C09 | C10 | C13 | 120.7° | 120.1° |
| C09 | C10 | C11 | 120.0° | 119.9° |
| C10 | C09 | H9 | 120.5° | 120.0° |
| C13 | C10 | C11 | 119.3° | 120.0° |
| C10 | C13 | H10 | 119.9° | 119.9° |
| C10 | C11 | N12 | 105.2° | 109.5° |
| C10 | C11 | H1 | 110.5° | 109.4° |
| C10 | C11 | H2 | 110.5° | 109.5° |
| N12 | C11 | H1 | 110.5° | 109.5° |
| N12 | C11 | H2 | 110.5° | 109.5° |
| C11 | N12 | H12 | 109.5° | 111.0° |
| C11 | N12 | H13 | 109.5° | 111.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H12 | N12 | H13 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | N02 | C01 | 0.6° | 0.1° |
| O18 | C17 | N02 | C15 | 179.4° | 180.0° |
| O18 | C17 | N02 | N03 | 178.6° | 180.0° |
| O18 | C17 | C15 | CL16 | 1.8° | 0.3° |
| O18 | C17 | C15 | C05 | 179.7° | 180.0° |
| C01 | N02 | C17 | N03 | 179.1° | 180.0° |
| C01 | N02 | C17 | C15 | 180.0° | 180.0° |
| C01 | N02 | N03 | C04 | 179.9° | 180.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.1° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| N02 | C17 | C15 | CL16 | 178.8° | 179.7° |
| N02 | C17 | C15 | C05 | 0.3° | 0.0° |
| C17 | N02 | N03 | C04 | 1.0° | 0.0° |
| C17 | N02 | C01 | H4 | 179.2° | 89.9° |
| C17 | N02 | C01 | H5 | 60.8° | 150.0° |
| C17 | N02 | C01 | H6 | 59.2° | 30.0° |
| C15 | C17 | N02 | N03 | 0.8° | 0.0° |
| C17 | C15 | CL16 | C05 | 178.5° | 179.7° |
| C17 | C15 | C05 | C04 | 1.1° | 0.0° |
| C17 | C15 | C05 | N06 | 179.1° | 180.0° |
| N02 | N03 | C04 | C05 | 0.0° | 0.0° |
| N03 | N02 | C01 | H4 | 0.0° | 90.0° |
| N03 | N02 | C01 | H5 | 120.0° | 30.1° |
| N03 | N02 | C01 | H6 | 120.0° | 150.0° |
| N02 | N03 | C04 | H7 | 180.0° | 180.0° |
| CL16 | C15 | C05 | C04 | 179.7° | 179.7° |
| CL16 | C15 | C05 | N06 | 0.6° | 0.2° |
| C15 | C05 | C04 | N03 | 1.0° | 0.0° |
| C15 | C05 | C04 | N06 | 179.8° | 180.0° |
| C15 | C05 | N06 | C07 | 171.5° | 121.3° |
| C15 | C05 | C04 | H7 | 179.0° | 180.0° |
| C15 | C05 | N06 | H11 | 8.5° | 58.6° |
| N03 | C04 | C05 | H7 | 180.0° | 180.0° |
| N03 | C04 | C05 | N06 | 179.2° | 179.9° |
| C04 | C05 | N06 | C07 | 8.8° | 58.7° |
| C04 | C05 | N06 | H11 | 171.2° | 121.4° |
| C05 | N06 | C07 | H11 | 180.0° | 179.9° |
| C05 | N06 | C07 | C08 | 31.7° | 172.2° |
| C05 | N06 | C07 | C14 | 148.4° | 7.9° |
| N06 | C05 | C04 | H7 | 0.8° | 0.0° |
| N06 | C07 | C08 | C14 | 179.9° | 180.0° |
| N06 | C07 | C08 | C09 | 178.0° | 180.0° |
| N06 | C07 | C14 | C13 | 178.8° | 180.0° |
| N06 | C07 | C14 | H3 | 1.2° | 0.3° |
| N06 | C07 | C08 | H8 | 2.0° | 0.1° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C08 | C07 | C14 | C13 | 1.3° | 0.1° |
| C07 | C08 | C09 | C10 | 2.0° | 0.1° |
| C08 | C07 | C14 | H3 | 178.8° | 179.6° |
| C07 | C08 | C09 | H9 | 178.0° | 179.9° |
| C08 | C07 | N06 | H11 | 148.4° | 7.9° |
| C14 | C07 | C08 | C09 | 2.1° | 0.1° |
| C07 | C14 | C13 | H3 | 180.0° | 179.7° |
| C07 | C14 | C13 | C10 | 0.4° | 0.0° |
| C14 | C07 | C08 | H8 | 177.9° | 179.9° |
| C07 | C14 | C13 | H10 | 179.6° | 179.7° |
| C14 | C07 | N06 | H11 | 31.6° | 172.1° |
| C08 | C09 | C10 | H9 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 1.2° | 0.0° |
| C08 | C09 | C10 | C11 | 179.1° | 180.0° |
| C14 | C13 | C10 | C09 | 0.4° | 0.0° |
| C14 | C13 | C10 | H10 | 180.0° | 179.7° |
| C14 | C13 | C10 | C11 | 178.4° | 180.0° |
| C09 | C10 | C13 | C11 | 178.0° | 180.0° |
| C09 | C10 | C11 | N12 | 93.8° | 90.0° |
| C09 | C10 | C11 | H1 | 146.9° | 150.0° |
| C09 | C10 | C11 | H2 | 25.5° | 30.0° |
| C10 | C09 | C08 | H8 | 178.0° | 179.9° |
| C09 | C10 | C13 | H10 | 179.6° | 179.7° |
| C13 | C10 | C11 | N12 | 84.2° | 90.0° |
| C13 | C10 | C11 | H1 | 35.2° | 30.0° |
| C13 | C10 | C11 | H2 | 156.5° | 150.0° |
| C10 | C13 | C14 | H3 | 179.6° | 179.7° |
| C13 | C10 | C09 | H9 | 178.9° | 180.0° |
| C10 | C11 | N12 | H1 | 119.3° | 120.0° |
| C10 | C11 | N12 | H2 | 119.3° | 120.0° |
| C10 | C11 | H1 | H2 | 122.0° | 120.0° |
| C11 | C10 | C09 | H9 | 0.9° | 0.0° |
| C11 | C10 | C13 | H10 | 1.6° | 0.3° |
| C10 | C11 | N12 | H12 | 180.0° | 56.0° |
| C10 | C11 | N12 | H13 | 60.0° | 180.0° |
| N12 | C11 | H1 | H2 | 122.0° | 120.0° |
| C11 | N12 | H12 | H13 | 120.0° | 124.0° |
| H1 | C11 | N12 | H12 | 60.7° | 64.0° |
| H1 | C11 | N12 | H13 | 179.3° | 60.0° |
| H2 | C11 | N12 | H12 | 60.7° | 176.0° |
| H2 | C11 | N12 | H13 | 59.3° | 60.0° |
| H3 | C14 | C13 | H10 | 0.4° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H8 | C08 | C09 | H9 | 2.0° | 0.1° |
