6EP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | N08 | doub | 1.31Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.35Å | Aromatic |
| N08 | N07 | sing | 1.40Å | 1.36Å | Aromatic |
| C11 | N07 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.34Å | |
| N07 | C06 | sing | 1.40Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C13 | O12 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| N22 | C06 | doub | 1.32Å | 1.36Å | Aromatic |
| N22 | C23 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.49Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.74Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| O03 | H9 | sing | 0.97Å | 0.95Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | N08 | 111.4° | 108.5° |
| C09 | C10 | C11 | 105.6° | 107.9° |
| C09 | C10 | H1 | 127.2° | 126.1° |
| C10 | C09 | H11 | 124.3° | 125.7° |
| C09 | N08 | N07 | 104.4° | 108.4° |
| N08 | C09 | H11 | 124.3° | 125.8° |
| C10 | C11 | N07 | 107.8° | 107.5° |
| C10 | C11 | O12 | 132.6° | 126.3° |
| C11 | C10 | H1 | 127.2° | 126.0° |
| N08 | N07 | C11 | 110.8° | 107.8° |
| N08 | N07 | C06 | 118.1° | 126.1° |
| N07 | C11 | O12 | 119.5° | 126.2° |
| C11 | N07 | C06 | 131.0° | 126.1° |
| C11 | O12 | C13 | 115.4° | 117.0° |
| N07 | C06 | N22 | 115.9° | 119.6° |
| N07 | C06 | C05 | 120.2° | 119.6° |
| C21 | C20 | C14 | 122.0° | 120.0° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C20 | C21 | H5 | 109.5° | 109.5° |
| C20 | C21 | H6 | 109.5° | 109.5° |
| C20 | C21 | H7 | 109.5° | 109.5° |
| O12 | C13 | C14 | 112.9° | 109.5° |
| O12 | C13 | H2 | 108.6° | 109.4° |
| O12 | C13 | H3 | 108.6° | 109.5° |
| C13 | C14 | C20 | 120.7° | 120.0° |
| C13 | C14 | C15 | 119.4° | 120.0° |
| C14 | C13 | H2 | 108.6° | 109.5° |
| C14 | C13 | H3 | 108.6° | 109.5° |
| C06 | N22 | C23 | 115.5° | 122.0° |
| N22 | C06 | C05 | 123.9° | 120.8° |
| N22 | C23 | C24 | 125.0° | 121.0° |
| N22 | C23 | H14 | 117.5° | 119.5° |
| C06 | C05 | C04 | 118.9° | 118.9° |
| C06 | C05 | H10 | 120.6° | 120.5° |
| C14 | C20 | C19 | 118.4° | 120.0° |
| C20 | C14 | C15 | 119.9° | 120.0° |
| C20 | C19 | C17 | 121.3° | 120.0° |
| C20 | C19 | H13 | 119.3° | 120.1° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | H4 | 119.6° | 120.0° |
| C23 | C24 | C04 | 119.1° | 119.1° |
| C23 | C24 | H8 | 120.4° | 120.4° |
| C24 | C23 | H14 | 117.5° | 119.5° |
| C05 | C04 | C24 | 117.5° | 118.2° |
| C05 | C04 | C02 | 123.3° | 120.9° |
| C04 | C05 | H10 | 120.6° | 120.5° |
| C19 | C17 | C16 | 121.0° | 120.0° |
| C19 | C17 | CL1 | 118.8° | 120.0° |
| C17 | C19 | H13 | 119.4° | 120.0° |
| C15 | C16 | C17 | 118.6° | 120.0° |
| C16 | C15 | H4 | 119.6° | 120.0° |
| C15 | C16 | H12 | 120.7° | 120.0° |
| C24 | C04 | C02 | 119.2° | 120.9° |
| C04 | C24 | H8 | 120.4° | 120.5° |
| C04 | C02 | O01 | 119.4° | 120.0° |
| C04 | C02 | O03 | 116.1° | 120.0° |
| C16 | C17 | CL1 | 120.1° | 120.0° |
| C17 | C16 | H12 | 120.7° | 120.0° |
| O01 | C02 | O03 | 124.4° | 120.0° |
| C02 | O03 | H9 | 109.5° | 117.0° |
| H2 | C13 | H3 | 109.4° | 109.4° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | N08 | H11 | 180.0° | 179.9° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | N08 | N07 | 0.6° | 0.2° |
| C09 | C10 | C11 | N07 | 0.0° | 0.3° |
| C09 | C10 | C11 | O12 | 179.9° | 179.7° |
| N08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | N08 | N07 | C11 | 0.6° | 0.4° |
| C09 | N08 | N07 | C06 | 179.2° | 179.9° |
| N08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C10 | C11 | N07 | N08 | 0.4° | 0.4° |
| C10 | C11 | N07 | O12 | 180.0° | 180.0° |
| C10 | C11 | N07 | C06 | 178.8° | 179.9° |
| C10 | C11 | O12 | C13 | 8.4° | 5.4° |
| C11 | C10 | C09 | H11 | 179.7° | 179.9° |
| N08 | N07 | C11 | C06 | 178.4° | 179.7° |
| N08 | N07 | C11 | O12 | 179.6° | 179.6° |
| N08 | N07 | C06 | N22 | 22.5° | 154.0° |
| N08 | N07 | C06 | C05 | 155.5° | 26.0° |
| N07 | N08 | C09 | H11 | 179.4° | 179.8° |
| N07 | C11 | O12 | C13 | 171.6° | 174.6° |
| C11 | N07 | C06 | N22 | 159.2° | 25.6° |
| C11 | N07 | C06 | C05 | 22.8° | 154.4° |
| N07 | C11 | C10 | H1 | 179.9° | 179.9° |
| O12 | C11 | N07 | C06 | 1.2° | 0.0° |
| C11 | O12 | C13 | C14 | 170.1° | 175.2° |
| O12 | C11 | C10 | H1 | 0.1° | 0.1° |
| C11 | O12 | C13 | H2 | 69.4° | 64.8° |
| C11 | O12 | C13 | H3 | 49.6° | 55.1° |
| N07 | C06 | N22 | C05 | 177.9° | 180.0° |
| N07 | C06 | N22 | C23 | 178.8° | 179.7° |
| N07 | C06 | C05 | C04 | 179.3° | 180.0° |
| N07 | C06 | C05 | H10 | 0.7° | 0.1° |
| C21 | C20 | C14 | C13 | 0.5° | 0.0° |
| C21 | C20 | C14 | C19 | 179.6° | 179.5° |
| C21 | C20 | C14 | C15 | 179.9° | 180.0° |
| C21 | C20 | C19 | C17 | 179.7° | 179.7° |
| C20 | C21 | H5 | H6 | 120.0° | 120.0° |
| C20 | C21 | H5 | H7 | 120.0° | 120.0° |
| C20 | C21 | H6 | H7 | 120.0° | 120.0° |
| C21 | C20 | C19 | H13 | 0.3° | 0.5° |
| O12 | C13 | C14 | H2 | 120.5° | 120.0° |
| O12 | C13 | C14 | H3 | 120.5° | 120.0° |
| O12 | C13 | C14 | C20 | 179.8° | 174.6° |
| O12 | C13 | C14 | C15 | 0.2° | 5.3° |
| O12 | C13 | H2 | H3 | 118.4° | 120.0° |
| C13 | C14 | C20 | C15 | 179.6° | 180.0° |
| C13 | C14 | C20 | C19 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 180.0° | 179.9° |
| C14 | C13 | H2 | H3 | 118.4° | 120.0° |
| C13 | C14 | C15 | H4 | 0.0° | 0.2° |
| C06 | N22 | C23 | C24 | 0.4° | 0.6° |
| N22 | C06 | C05 | C04 | 1.5° | 0.1° |
| N22 | C06 | C05 | H10 | 178.5° | 179.9° |
| C06 | N22 | C23 | H14 | 179.6° | 180.0° |
| C23 | N22 | C06 | C05 | 0.9° | 0.3° |
| N22 | C23 | C24 | H14 | 180.0° | 179.4° |
| N22 | C23 | C24 | C04 | 0.5° | 0.6° |
| N22 | C23 | C24 | H8 | 179.5° | 179.7° |
| C06 | C05 | C04 | H10 | 180.0° | 179.9° |
| C06 | C05 | C04 | C24 | 1.5° | 0.1° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C14 | C20 | C19 | C17 | 0.1° | 0.8° |
| C20 | C14 | C15 | C16 | 0.3° | 0.0° |
| C20 | C14 | C13 | H2 | 59.3° | 65.4° |
| C20 | C14 | C13 | H3 | 59.6° | 54.6° |
| C20 | C14 | C15 | H4 | 179.7° | 179.7° |
| C14 | C20 | C21 | H5 | 89.8° | 94.2° |
| C14 | C20 | C21 | H6 | 150.2° | 145.8° |
| C14 | C20 | C21 | H7 | 30.2° | 25.8° |
| C14 | C20 | C19 | H13 | 179.9° | 180.0° |
| C19 | C20 | C14 | C15 | 0.3° | 0.5° |
| C20 | C19 | C17 | H13 | 180.0° | 179.2° |
| C20 | C19 | C17 | C16 | 0.2° | 0.6° |
| C20 | C19 | C17 | CL1 | 179.7° | 179.5° |
| C19 | C20 | C21 | H5 | 89.8° | 86.3° |
| C19 | C20 | C21 | H6 | 30.2° | 33.7° |
| C19 | C20 | C21 | H7 | 150.2° | 153.7° |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | H2 | 120.3° | 114.6° |
| C15 | C14 | C13 | H3 | 120.7° | 125.4° |
| C14 | C15 | C16 | H12 | 179.9° | 179.7° |
| C23 | C24 | C04 | C05 | 1.0° | 0.2° |
| C23 | C24 | C04 | H8 | 180.0° | 179.7° |
| C23 | C24 | C04 | C02 | 179.7° | 179.7° |
| C05 | C04 | C24 | C02 | 178.7° | 180.0° |
| C05 | C04 | C02 | O01 | 37.0° | 0.0° |
| C05 | C04 | C02 | O03 | 143.1° | 180.0° |
| C05 | C04 | C24 | H8 | 179.0° | 180.0° |
| C19 | C17 | C16 | C15 | 0.2° | 0.0° |
| C19 | C17 | C16 | CL1 | 179.5° | 179.9° |
| C19 | C17 | C16 | H12 | 179.8° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | CL1 | 179.7° | 179.9° |
| C24 | C04 | C02 | O01 | 144.4° | 180.0° |
| C24 | C04 | C02 | O03 | 35.5° | 0.0° |
| C24 | C04 | C05 | H10 | 178.6° | 180.0° |
| C04 | C24 | C23 | H14 | 179.5° | 179.9° |
| C04 | C02 | O01 | O03 | 179.9° | 180.0° |
| C02 | C04 | C24 | H8 | 0.3° | 0.0° |
| C04 | C02 | O03 | H9 | 179.9° | 180.0° |
| C02 | C04 | C05 | H10 | 0.1° | 0.1° |
| C17 | C16 | C15 | H4 | 179.9° | 180.0° |
| C16 | C17 | C19 | H13 | 179.8° | 179.8° |
| CL1 | C17 | C16 | H12 | 0.3° | 0.0° |
| CL1 | C17 | C19 | H13 | 0.3° | 0.3° |
| O01 | C02 | O03 | H9 | 0.0° | 0.0° |
| H1 | C10 | C09 | H11 | 0.3° | 0.3° |
| H4 | C15 | C16 | H12 | 0.1° | 0.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H14 | 0.5° | 0.3° |
