ERZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| N13 | N14 | sing | 1.40Å | 1.35Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| N14 | C2 | sing | 1.36Å | 1.33Å | Aromatic |
| C12 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C3 | N4 | sing | 1.41Å | 1.36Å | |
| N4 | C5 | sing | 1.38Å | 1.38Å | |
| C5 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| N11 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | N13 | 119.6° | 126.0° |
| C15 | N14 | C2 | 129.8° | 126.1° |
| N14 | C15 | H28 | 109.5° | 109.4° |
| N14 | C15 | H27 | 109.5° | 109.5° |
| N14 | C15 | H26 | 109.5° | 109.4° |
| N14 | N13 | C12 | 105.1° | 108.4° |
| N13 | N14 | C2 | 110.5° | 107.9° |
| N13 | C12 | C3 | 112.1° | 108.4° |
| N13 | C12 | H25 | 124.0° | 125.9° |
| N14 | C2 | C3 | 109.4° | 107.5° |
| N14 | C2 | C1 | 122.0° | 126.2° |
| C12 | C3 | C2 | 102.9° | 107.9° |
| C12 | C3 | N4 | 130.3° | 126.1° |
| C3 | C12 | H25 | 123.9° | 125.8° |
| C3 | C2 | C1 | 128.7° | 126.3° |
| C2 | C3 | N4 | 126.8° | 126.0° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.4° | 109.4° |
| C3 | N4 | C5 | 128.4° | 120.0° |
| C3 | N4 | H19 | 115.8° | 120.0° |
| N4 | C5 | N11 | 118.6° | 119.2° |
| N4 | C5 | N6 | 115.1° | 119.2° |
| C5 | N4 | H19 | 115.8° | 120.0° |
| N11 | C5 | N6 | 126.3° | 121.5° |
| C5 | N11 | C10 | 115.2° | 120.7° |
| C5 | N6 | C7 | 115.3° | 120.7° |
| N11 | C10 | C8 | 124.2° | 119.2° |
| N11 | C10 | H24 | 117.9° | 120.4° |
| N6 | C7 | C8 | 124.2° | 119.2° |
| N6 | C7 | H20 | 117.9° | 120.4° |
| C10 | C8 | C7 | 114.7° | 118.6° |
| C10 | C8 | C9 | 122.7° | 120.7° |
| C8 | C10 | H24 | 117.9° | 120.3° |
| C7 | C8 | C9 | 122.6° | 120.7° |
| C8 | C7 | H20 | 117.9° | 120.5° |
| C8 | C9 | H22 | 109.5° | 109.5° |
| C8 | C9 | H21 | 109.4° | 109.5° |
| C8 | C9 | H23 | 109.5° | 109.5° |
| H18 | C1 | H17 | 109.4° | 109.5° |
| H18 | C1 | H16 | 109.5° | 109.5° |
| H17 | C1 | H16 | 109.5° | 109.4° |
| H28 | C15 | H27 | 109.4° | 109.5° |
| H28 | C15 | H26 | 109.5° | 109.5° |
| H27 | C15 | H26 | 109.5° | 109.5° |
| H22 | C9 | H21 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.4° | 109.5° |
| H21 | C9 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | N13 | C2 | 179.9° | 179.5° |
| C15 | N14 | N13 | C12 | 179.9° | 180.0° |
| C15 | N14 | C2 | C3 | 179.5° | 180.0° |
| C15 | N14 | C2 | C1 | 0.1° | 0.3° |
| N14 | C15 | H28 | H27 | 120.0° | 120.0° |
| N14 | C15 | H28 | H26 | 120.0° | 119.9° |
| N14 | C15 | H27 | H26 | 120.0° | 120.0° |
| N14 | N13 | C12 | C3 | 0.3° | 0.3° |
| N13 | N14 | C2 | C3 | 0.4° | 0.5° |
| N13 | N14 | C2 | C1 | 180.0° | 179.8° |
| N14 | N13 | C12 | H25 | 179.7° | 179.8° |
| N13 | N14 | C15 | H28 | 0.0° | 90.0° |
| N13 | N14 | C15 | H27 | 120.0° | 150.0° |
| N13 | N14 | C15 | H26 | 120.0° | 29.9° |
| C12 | N13 | N14 | C2 | 0.0° | 0.5° |
| N13 | C12 | C3 | H25 | 180.0° | 179.9° |
| N13 | C12 | C3 | C2 | 0.6° | 0.0° |
| N13 | C12 | C3 | N4 | 178.9° | 180.0° |
| N14 | C2 | C3 | C12 | 0.6° | 0.3° |
| N14 | C2 | C3 | C1 | 179.5° | 179.7° |
| N14 | C2 | C3 | N4 | 179.0° | 179.8° |
| N14 | C2 | C1 | H18 | 89.8° | 90.4° |
| N14 | C2 | C1 | H17 | 150.2° | 29.7° |
| N14 | C2 | C1 | H16 | 30.3° | 149.6° |
| C2 | N14 | C15 | H28 | 179.8° | 90.5° |
| C2 | N14 | C15 | H27 | 59.9° | 29.4° |
| C2 | N14 | C15 | H26 | 60.1° | 149.5° |
| C12 | C3 | C2 | N4 | 178.4° | 180.0° |
| C12 | C3 | C2 | C1 | 179.9° | 180.0° |
| C12 | C3 | N4 | C5 | 34.6° | 0.0° |
| C12 | C3 | N4 | H19 | 145.4° | 180.0° |
| C2 | C3 | N4 | C5 | 147.5° | 180.0° |
| C3 | C2 | C1 | H18 | 89.7° | 90.0° |
| C3 | C2 | C1 | H17 | 30.3° | 149.9° |
| C3 | C2 | C1 | H16 | 150.3° | 30.0° |
| C2 | C3 | N4 | H19 | 32.6° | 0.1° |
| C2 | C3 | C12 | H25 | 179.4° | 179.9° |
| C1 | C2 | C3 | N4 | 1.5° | 0.1° |
| C2 | C1 | H18 | H17 | 120.0° | 120.1° |
| C2 | C1 | H18 | H16 | 120.0° | 120.0° |
| C2 | C1 | H17 | H16 | 120.0° | 119.9° |
| C3 | N4 | C5 | H19 | 180.0° | 180.0° |
| C3 | N4 | C5 | N11 | 14.1° | 180.0° |
| C3 | N4 | C5 | N6 | 167.7° | 0.3° |
| N4 | C3 | C12 | H25 | 1.1° | 0.1° |
| N4 | C5 | N11 | N6 | 177.9° | 179.6° |
| N4 | C5 | N11 | C10 | 179.6° | 180.0° |
| N4 | C5 | N6 | C7 | 179.6° | 180.0° |
| N11 | C5 | N6 | C7 | 1.7° | 0.3° |
| C5 | N11 | C10 | C8 | 0.1° | 0.1° |
| N11 | C5 | N4 | H19 | 165.9° | 0.0° |
| C5 | N11 | C10 | H24 | 179.9° | 179.8° |
| N6 | C5 | N11 | C10 | 1.7° | 0.4° |
| C5 | N6 | C7 | C8 | 0.2° | 0.0° |
| N6 | C5 | N4 | H19 | 12.2° | 179.7° |
| C5 | N6 | C7 | H20 | 179.9° | 179.7° |
| N11 | C10 | C8 | H24 | 180.0° | 179.9° |
| N11 | C10 | C8 | C7 | 1.1° | 0.2° |
| N11 | C10 | C8 | C9 | 180.0° | 179.7° |
| N6 | C7 | C8 | C10 | 1.1° | 0.2° |
| N6 | C7 | C8 | H20 | 180.0° | 179.7° |
| N6 | C7 | C8 | C9 | 180.0° | 179.7° |
| C10 | C8 | C7 | C9 | 178.8° | 179.9° |
| C10 | C8 | C7 | H20 | 178.9° | 179.9° |
| C10 | C8 | C9 | H22 | 90.6° | 90.1° |
| C10 | C8 | C9 | H21 | 149.4° | 30.0° |
| C10 | C8 | C9 | H23 | 29.4° | 149.9° |
| C7 | C8 | C10 | H24 | 178.9° | 180.0° |
| C7 | C8 | C9 | H22 | 90.6° | 90.0° |
| C7 | C8 | C9 | H21 | 29.4° | 150.0° |
| C7 | C8 | C9 | H23 | 149.4° | 30.0° |
| C9 | C8 | C7 | H20 | 0.0° | 0.0° |
| C9 | C8 | C10 | H24 | 0.0° | 0.1° |
| C8 | C9 | H22 | H21 | 120.0° | 120.0° |
| C8 | C9 | H22 | H23 | 120.0° | 120.0° |
| C8 | C9 | H21 | H23 | 120.0° | 120.0° |
| H18 | C1 | H17 | H16 | 120.0° | 120.0° |
| H28 | C15 | H27 | H26 | 120.0° | 120.0° |
| H22 | C9 | H21 | H23 | 120.0° | 120.0° |
