I34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | O06 | sing | 1.43Å | 1.40Å | |
| O06 | C05 | sing | 1.36Å | 1.40Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| N09 | C08 | sing | 1.40Å | 1.45Å | |
| N09 | C10 | sing | 1.35Å | 1.46Å | |
| C08 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| N12 | C10 | sing | 1.35Å | 1.45Å | |
| N12 | C13 | sing | 1.39Å | 1.45Å | |
| C14 | C13 | sing | 1.42Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.40Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| C03 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O11 | doub | 1.22Å | 1.18Å | |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C13 | N18 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | O17 | sing | 1.34Å | 1.30Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.78Å | |
| N18 | O17 | sing | 1.21Å | 1.32Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| N09 | H13 | sing | 0.97Å | 1.00Å | |
| N12 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O06 | C05 | 113.7° | 117.0° |
| O06 | C07 | H5 | 109.5° | 109.4° |
| O06 | C07 | H6 | 109.5° | 109.5° |
| O06 | C07 | H7 | 109.5° | 109.5° |
| O06 | C05 | C04 | 119.6° | 120.1° |
| O06 | C05 | C08 | 120.1° | 120.0° |
| C04 | C05 | C08 | 120.4° | 119.9° |
| C05 | C04 | C03 | 119.8° | 120.0° |
| C05 | C04 | H4 | 120.1° | 120.0° |
| C05 | C08 | N09 | 118.8° | 120.0° |
| C05 | C08 | C19 | 119.6° | 120.0° |
| C04 | C03 | O02 | 119.9° | 120.0° |
| C04 | C03 | C20 | 120.0° | 120.1° |
| C03 | C04 | H4 | 120.1° | 120.0° |
| C08 | N09 | C10 | 124.6° | 120.0° |
| N09 | C08 | C19 | 121.6° | 120.1° |
| C08 | N09 | H13 | 117.7° | 120.0° |
| N09 | C10 | N12 | 118.2° | 120.0° |
| N09 | C10 | O11 | 122.0° | 119.9° |
| C10 | N09 | H13 | 117.7° | 120.0° |
| C08 | C19 | C20 | 120.1° | 120.0° |
| C08 | C19 | H12 | 119.9° | 120.0° |
| C10 | N12 | C13 | 122.5° | 120.0° |
| N12 | C10 | O11 | 119.7° | 120.0° |
| C10 | N12 | H14 | 118.7° | 119.9° |
| N12 | C13 | C14 | 126.0° | 126.9° |
| N12 | C13 | N18 | 127.4° | 126.9° |
| C13 | N12 | H14 | 118.7° | 120.1° |
| C13 | C14 | C15 | 104.0° | 104.0° |
| C14 | C13 | N18 | 106.6° | 106.2° |
| C13 | C14 | H8 | 128.0° | 128.0° |
| C14 | C15 | C16 | 125.2° | 126.7° |
| C14 | C15 | O17 | 108.6° | 106.6° |
| C15 | C14 | H8 | 128.0° | 128.0° |
| O02 | C03 | C20 | 120.1° | 120.0° |
| C03 | O02 | C01 | 113.9° | 117.0° |
| C03 | C20 | C19 | 120.0° | 120.1° |
| C03 | C20 | CL1 | 119.9° | 120.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.4° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C13 | N18 | O17 | 110.1° | 111.4° |
| C19 | C20 | CL1 | 120.0° | 120.0° |
| C20 | C19 | H12 | 119.9° | 120.0° |
| C16 | C15 | O17 | 126.2° | 126.7° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| C15 | O17 | N18 | 110.8° | 111.8° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.4° | 109.4° |
| H9 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | O06 | C05 | C04 | 54.8° | 0.0° |
| C07 | O06 | C05 | C08 | 125.4° | 180.0° |
| O06 | C07 | H5 | H6 | 120.0° | 120.0° |
| O06 | C07 | H5 | H7 | 120.0° | 120.0° |
| O06 | C07 | H6 | H7 | 120.0° | 120.0° |
| O06 | C05 | C04 | C08 | 179.8° | 179.9° |
| O06 | C05 | C04 | C03 | 180.0° | 180.0° |
| O06 | C05 | C08 | N09 | 0.3° | 0.0° |
| O06 | C05 | C08 | C19 | 179.7° | 180.0° |
| O06 | C05 | C04 | H4 | 0.0° | 0.0° |
| C05 | O06 | C07 | H5 | 180.0° | 60.0° |
| C05 | O06 | C07 | H6 | 60.0° | 180.0° |
| C05 | O06 | C07 | H7 | 60.0° | 60.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C08 | N09 | 179.9° | 180.0° |
| C04 | C05 | C08 | C19 | 0.4° | 0.0° |
| C05 | C04 | C03 | O02 | 180.0° | 180.0° |
| C05 | C04 | C03 | C20 | 0.0° | 0.2° |
| C08 | C05 | C04 | C03 | 0.2° | 0.0° |
| C05 | C08 | N09 | C19 | 179.4° | 180.0° |
| C05 | C08 | N09 | C10 | 145.3° | 155.2° |
| C05 | C08 | C19 | C20 | 0.5° | 0.2° |
| C08 | C05 | C04 | H4 | 179.8° | 180.0° |
| C05 | C08 | C19 | H12 | 179.6° | 180.0° |
| C05 | C08 | N09 | H13 | 34.7° | 24.8° |
| C04 | C03 | O02 | C20 | 179.9° | 179.8° |
| C04 | C03 | O02 | C01 | 82.5° | 0.3° |
| C04 | C03 | C20 | C19 | 0.1° | 0.5° |
| C04 | C03 | C20 | CL1 | 179.9° | 179.7° |
| C08 | N09 | C10 | H13 | 180.0° | 180.0° |
| C08 | N09 | C10 | N12 | 179.7° | 174.3° |
| C08 | N09 | C10 | O11 | 0.2° | 5.6° |
| N09 | C08 | C19 | C20 | 179.9° | 179.8° |
| N09 | C08 | C19 | H12 | 0.1° | 0.0° |
| C10 | N09 | C08 | C19 | 35.3° | 24.8° |
| N09 | C10 | N12 | O11 | 180.0° | 180.0° |
| N09 | C10 | N12 | C13 | 179.7° | 180.0° |
| N09 | C10 | N12 | H14 | 0.3° | 0.1° |
| C08 | C19 | C20 | C03 | 0.3° | 0.5° |
| C08 | C19 | C20 | H12 | 180.0° | 179.8° |
| C08 | C19 | C20 | CL1 | 179.7° | 179.7° |
| C19 | C08 | N09 | H13 | 144.7° | 155.2° |
| C10 | N12 | C13 | H14 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 141.0° | 0.3° |
| C10 | N12 | C13 | N18 | 39.9° | 180.0° |
| N12 | C10 | N09 | H13 | 0.3° | 5.7° |
| N12 | C13 | C14 | N18 | 179.3° | 179.8° |
| N12 | C13 | C14 | C15 | 179.3° | 179.7° |
| C13 | N12 | C10 | O11 | 0.4° | 0.0° |
| N12 | C13 | N18 | O17 | 179.4° | 179.7° |
| N12 | C13 | C14 | H8 | 0.7° | 0.2° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C13 | C14 | C15 | O17 | 0.0° | 0.0° |
| C14 | C13 | N18 | O17 | 0.1° | 0.0° |
| C14 | C13 | N12 | H14 | 39.0° | 179.8° |
| C15 | C14 | C13 | N18 | 0.1° | 0.0° |
| C14 | C15 | C16 | O17 | 179.9° | 179.9° |
| C14 | C15 | O17 | N18 | 0.1° | 0.0° |
| C14 | C15 | C16 | H9 | 179.9° | 90.0° |
| C14 | C15 | C16 | H10 | 60.1° | 150.0° |
| C14 | C15 | C16 | H11 | 59.9° | 30.1° |
| O02 | C03 | C20 | C19 | 180.0° | 179.8° |
| O02 | C03 | C20 | CL1 | 0.0° | 0.0° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 179.9° |
| O02 | C03 | C04 | H4 | 0.0° | 0.0° |
| C20 | C03 | O02 | C01 | 97.6° | 180.0° |
| C03 | C20 | C19 | CL1 | 180.0° | 179.8° |
| C20 | C03 | C04 | H4 | 180.0° | 179.8° |
| C03 | C20 | C19 | H12 | 179.7° | 179.7° |
| O11 | C10 | N09 | H13 | 179.8° | 174.4° |
| O11 | C10 | N12 | H14 | 179.6° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C13 | N18 | O17 | C15 | 0.2° | 0.0° |
| N18 | C13 | C14 | H8 | 180.0° | 179.9° |
| N18 | C13 | N12 | H14 | 140.2° | 0.0° |
| C16 | C15 | O17 | N18 | 180.0° | 180.0° |
| C16 | C15 | C14 | H8 | 0.0° | 0.1° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C15 | C16 | H9 | H11 | 120.0° | 120.1° |
| C15 | C16 | H10 | H11 | 120.0° | 120.0° |
| O17 | C15 | C14 | H8 | 179.9° | 179.9° |
| O17 | C15 | C16 | H9 | 0.0° | 89.9° |
| O17 | C15 | C16 | H10 | 120.0° | 30.0° |
| O17 | C15 | C16 | H11 | 120.0° | 150.0° |
| CL1 | C20 | C19 | H12 | 0.3° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H9 | C16 | H10 | H11 | 119.9° | 120.0° |
