2GE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.39Å | |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| N03 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N03 | C04 | sing | 1.33Å | 1.34Å | Aromatic |
| C02 | N19 | sing | 1.33Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.49Å | |
| C05 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C04 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | CL1 | sing | 1.74Å | 1.73Å | |
| N19 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | CL2 | sing | 1.74Å | 1.72Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.42Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 120.5° | 120.2° |
| C07 | C06 | C05 | 120.1° | 119.9° |
| C07 | C06 | H6 | 120.0° | 120.0° |
| C06 | C07 | H7 | 119.8° | 119.9° |
| C07 | C08 | C09 | 118.1° | 120.3° |
| C08 | C07 | H7 | 119.7° | 120.0° |
| C07 | C08 | H8 | 120.9° | 119.9° |
| C06 | C05 | C04 | 116.9° | 120.1° |
| C06 | C05 | C11 | 118.2° | 119.8° |
| C05 | C06 | H6 | 120.0° | 120.1° |
| N01 | C02 | N03 | 116.8° | 119.1° |
| N01 | C02 | N19 | 119.0° | 119.1° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.4° | 120.0° |
| C08 | C09 | C11 | 121.1° | 120.1° |
| C08 | C09 | CL1 | 123.9° | 120.0° |
| C09 | C08 | H8 | 120.9° | 119.9° |
| C02 | N03 | C04 | 120.5° | 120.8° |
| N03 | C02 | N19 | 124.2° | 121.8° |
| N03 | C04 | C05 | 119.1° | 120.5° |
| N03 | C04 | C13 | 117.4° | 119.0° |
| C02 | N19 | C14 | 118.2° | 120.8° |
| C04 | C05 | C11 | 124.7° | 120.1° |
| C05 | C04 | C13 | 123.2° | 120.5° |
| C05 | C11 | C09 | 121.7° | 119.8° |
| C05 | C11 | CL2 | 119.7° | 120.1° |
| C04 | C13 | C14 | 120.3° | 118.4° |
| C04 | C13 | H1 | 119.8° | 120.8° |
| C11 | C09 | CL1 | 115.0° | 119.9° |
| C09 | C11 | CL2 | 118.5° | 120.1° |
| N19 | C14 | C13 | 119.3° | 119.1° |
| N19 | C14 | N15 | 118.6° | 120.4° |
| C13 | C14 | N15 | 122.1° | 120.5° |
| C14 | C13 | H1 | 119.9° | 120.8° |
| C14 | N15 | C16 | 120.0° | 120.0° |
| C14 | N15 | H9 | 106.8° | 120.0° |
| N15 | C16 | C18 | 111.5° | 117.5° |
| N15 | C16 | C17 | 110.5° | 117.5° |
| C16 | N15 | H9 | 106.8° | 120.0° |
| N15 | C16 | H10 | 120.7° | 115.5° |
| C18 | C16 | C17 | 59.6° | 60.0° |
| C16 | C18 | C17 | 59.9° | 60.0° |
| C18 | C16 | H10 | 119.6° | 117.6° |
| C16 | C18 | H11 | 120.0° | 117.5° |
| C16 | C18 | H12 | 120.0° | 117.5° |
| C16 | C17 | C18 | 60.5° | 60.0° |
| C16 | C17 | H2 | 119.9° | 117.5° |
| C16 | C17 | H3 | 119.9° | 117.5° |
| C17 | C16 | H10 | 119.9° | 117.5° |
| C18 | C17 | H2 | 119.9° | 117.5° |
| C18 | C17 | H3 | 119.9° | 117.4° |
| C17 | C18 | H11 | 120.0° | 117.4° |
| C17 | C18 | H12 | 120.0° | 117.5° |
| H2 | C17 | H3 | 109.5° | 115.5° |
| H4 | N01 | H5 | 109.5° | 120.0° |
| H11 | C18 | H12 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H7 | 180.0° | 179.9° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 3.5° | 0.1° |
| C07 | C06 | C05 | C04 | 179.1° | 180.0° |
| C07 | C06 | C05 | C11 | 5.6° | 0.2° |
| C06 | C07 | C08 | H8 | 176.5° | 179.9° |
| C08 | C07 | C06 | C05 | 5.4° | 0.1° |
| C07 | C08 | C09 | H8 | 180.0° | 180.0° |
| C07 | C08 | C09 | C11 | 1.9° | 0.2° |
| C07 | C08 | C09 | CL1 | 178.6° | 180.0° |
| C08 | C07 | C06 | H6 | 174.6° | 180.0° |
| C06 | C05 | C04 | N03 | 47.8° | 179.7° |
| C06 | C05 | C04 | C11 | 175.0° | 179.7° |
| C06 | C05 | C04 | C13 | 126.0° | 0.3° |
| C06 | C05 | C11 | C09 | 4.0° | 0.6° |
| C06 | C05 | C11 | CL2 | 179.4° | 179.7° |
| C05 | C06 | C07 | H7 | 174.6° | 180.0° |
| N01 | C02 | N03 | N19 | 177.8° | 179.4° |
| N01 | C02 | N03 | C04 | 178.9° | 179.7° |
| N01 | C02 | N19 | C14 | 177.6° | 180.0° |
| C02 | N01 | H4 | H5 | 120.0° | 180.0° |
| C08 | C09 | C11 | C05 | 2.3° | 0.6° |
| C08 | C09 | C11 | CL1 | 177.0° | 179.8° |
| C08 | C09 | C11 | CL2 | 178.8° | 179.7° |
| C09 | C08 | C07 | H7 | 176.5° | 180.0° |
| C02 | N03 | C04 | C05 | 176.0° | 179.4° |
| C02 | N03 | C04 | C13 | 1.9° | 0.6° |
| N03 | C02 | N19 | C14 | 4.7° | 0.6° |
| N03 | C02 | N01 | H4 | 0.0° | 179.4° |
| N03 | C02 | N01 | H5 | 120.0° | 0.6° |
| C04 | N03 | C02 | N19 | 3.3° | 0.9° |
| N03 | C04 | C05 | C13 | 173.8° | 180.0° |
| N03 | C04 | C05 | C11 | 137.2° | 0.0° |
| N03 | C04 | C13 | C14 | 2.1° | 0.0° |
| N03 | C04 | C13 | H1 | 177.9° | 179.7° |
| C02 | N19 | C14 | C13 | 4.6° | 0.0° |
| C02 | N19 | C14 | N15 | 176.7° | 179.9° |
| N19 | C02 | N01 | H4 | 177.9° | 0.0° |
| N19 | C02 | N01 | H5 | 62.1° | 180.0° |
| C04 | C05 | C11 | C09 | 179.0° | 179.7° |
| C04 | C05 | C11 | CL2 | 4.5° | 0.0° |
| C05 | C04 | C13 | C14 | 176.0° | 180.0° |
| C05 | C04 | C13 | H1 | 4.0° | 0.3° |
| C04 | C05 | C06 | H6 | 0.9° | 0.0° |
| C11 | C05 | C04 | C13 | 49.0° | 180.0° |
| C05 | C11 | C09 | CL2 | 176.6° | 179.7° |
| C05 | C11 | C09 | CL1 | 179.3° | 179.7° |
| C11 | C05 | C06 | H6 | 174.4° | 179.7° |
| C04 | C13 | C14 | N19 | 3.5° | 0.3° |
| C04 | C13 | C14 | H1 | 180.0° | 179.7° |
| C04 | C13 | C14 | N15 | 177.8° | 179.8° |
| C11 | C09 | C08 | H8 | 178.1° | 179.7° |
| CL1 | C09 | C11 | CL2 | 4.2° | 0.0° |
| CL1 | C09 | C08 | H8 | 1.4° | 0.0° |
| N19 | C14 | C13 | N15 | 178.6° | 179.9° |
| N19 | C14 | N15 | C16 | 168.9° | 180.0° |
| N19 | C14 | C13 | H1 | 176.4° | 180.0° |
| N19 | C14 | N15 | H9 | 47.4° | 0.1° |
| C13 | C14 | N15 | C16 | 9.8° | 0.1° |
| C13 | C14 | N15 | H9 | 131.2° | 180.0° |
| C14 | N15 | C16 | H9 | 121.5° | 179.9° |
| C14 | N15 | C16 | C18 | 79.8° | 155.0° |
| C14 | N15 | C16 | C17 | 144.2° | 136.4° |
| N15 | C14 | C13 | H1 | 2.2° | 0.0° |
| C14 | N15 | C16 | H10 | 68.6° | 9.2° |
| N15 | C16 | C18 | C17 | 101.9° | 107.5° |
| N15 | C16 | C18 | H10 | 148.8° | 145.0° |
| N15 | C16 | C17 | H10 | 147.5° | 144.9° |
| N15 | C16 | C17 | H2 | 146.8° | 145.0° |
| N15 | C16 | C17 | H3 | 6.0° | 0.1° |
| N15 | C16 | C18 | H11 | 7.6° | 145.1° |
| N15 | C16 | C18 | H12 | 148.6° | 0.1° |
| C18 | C16 | C17 | H10 | 108.9° | 107.6° |
| C16 | C18 | C17 | H11 | 109.4° | 107.5° |
| C16 | C18 | C17 | H12 | 109.4° | 107.5° |
| C18 | C16 | C17 | H2 | 109.6° | 107.5° |
| C18 | C16 | C17 | H3 | 109.6° | 107.4° |
| C18 | C16 | N15 | H9 | 158.7° | 24.9° |
| C16 | C18 | H11 | H12 | 144.8° | 145.7° |
| C16 | C17 | H2 | H3 | 144.5° | 145.7° |
| C17 | C16 | N15 | H9 | 94.4° | 43.7° |
| C18 | C17 | H2 | H3 | 144.5° | 145.6° |
| C17 | C18 | H11 | H12 | 144.8° | 145.7° |
| H2 | C17 | C16 | H10 | 0.7° | 0.1° |
| H2 | C17 | C18 | H11 | 141.0° | 0.1° |
| H2 | C17 | C18 | H12 | 0.2° | 145.0° |
| H3 | C17 | C16 | H10 | 141.5° | 145.0° |
| H3 | C17 | C18 | H11 | 0.2° | 145.0° |
| H3 | C17 | C18 | H12 | 141.0° | 0.0° |
| H6 | C06 | C07 | H7 | 5.5° | 0.1° |
| H7 | C07 | C08 | H8 | 3.5° | 0.0° |
| H9 | N15 | C16 | H10 | 52.9° | 170.7° |
| H10 | C16 | C18 | H11 | 141.3° | 0.1° |
| H10 | C16 | C18 | H12 | 0.2° | 145.0° |
