E8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C15 | C2 | doub | 1.38Å | 1.33Å | Aromatic |
| C15 | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | CD1 | sing | 1.38Å | 1.37Å | Aromatic |
| CG2 | CB | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CG1 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | CG1 | sing | 1.38Å | 1.36Å | Aromatic |
| CB | CA | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| N | C7 | sing | 1.35Å | 1.39Å | |
| C7 | O | doub | 1.22Å | 1.24Å | |
| C7 | N2 | sing | 1.35Å | 1.39Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C13 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| O2 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | N3 | sing | 1.35Å | 1.37Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N3 | O3 | sing | 1.42Å | 1.41Å | |
| C12 | C10 | sing | 1.53Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| CD1 | H4 | sing | 1.08Å | 1.08Å | |
| CG1 | H5 | sing | 1.08Å | 1.08Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| CG2 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C2 | 106.7° | 119.9° |
| C16 | C15 | CG2 | 129.3° | 120.0° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.4° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C1 | C2 | C15 | 116.3° | 120.1° |
| C1 | C2 | CD1 | 128.2° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C15 | CG2 | 124.0° | 120.0° |
| C15 | C2 | CD1 | 115.3° | 120.0° |
| C15 | CG2 | CB | 121.9° | 120.0° |
| C15 | CG2 | H22 | 119.1° | 120.0° |
| C2 | CD1 | CG1 | 121.5° | 120.0° |
| C2 | CD1 | H4 | 119.3° | 120.0° |
| CG2 | CB | CG1 | 113.2° | 120.0° |
| CG2 | CB | CA | 121.3° | 120.1° |
| CB | CG2 | H22 | 119.1° | 120.0° |
| CD1 | CG1 | CB | 124.1° | 120.0° |
| CG1 | CD1 | H4 | 119.2° | 120.0° |
| CD1 | CG1 | H5 | 117.9° | 120.0° |
| CG1 | CB | CA | 125.5° | 120.0° |
| CB | CG1 | H5 | 118.0° | 120.0° |
| CB | CA | N | 116.5° | 109.5° |
| CB | CA | H6 | 107.7° | 109.4° |
| CB | CA | H7 | 107.7° | 109.5° |
| CA | N | C7 | 128.8° | 120.0° |
| N | CA | H6 | 107.7° | 109.4° |
| N | CA | H7 | 107.7° | 109.5° |
| CA | N | H8 | 115.6° | 120.0° |
| N | C7 | O | 120.7° | 120.0° |
| N | C7 | N2 | 118.1° | 120.0° |
| C7 | N | H8 | 115.6° | 120.0° |
| O | C7 | N2 | 120.9° | 120.0° |
| C7 | N2 | C8 | 113.6° | 120.0° |
| C7 | N2 | H9 | 123.2° | 120.0° |
| N2 | C8 | C13 | 107.3° | 109.5° |
| N2 | C8 | C9 | 106.1° | 109.5° |
| C8 | N2 | H9 | 123.2° | 120.0° |
| N2 | C8 | H10 | 112.0° | 109.5° |
| C13 | C8 | C9 | 108.9° | 109.5° |
| C8 | C13 | O2 | 120.9° | 120.0° |
| C8 | C13 | N3 | 113.7° | 120.0° |
| C13 | C8 | H10 | 111.2° | 109.5° |
| C8 | C9 | C10 | 109.4° | 109.5° |
| C9 | C8 | H10 | 111.2° | 109.4° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.4° |
| O2 | C13 | N3 | 125.4° | 120.0° |
| C13 | N3 | O3 | 118.3° | 120.0° |
| C13 | N3 | H20 | 120.8° | 120.0° |
| C9 | C10 | C12 | 108.1° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C10 | C9 | H11 | 109.5° | 109.5° |
| C10 | C9 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 111.7° | 109.5° |
| O3 | N3 | H20 | 120.8° | 119.9° |
| N3 | O3 | H21 | 109.5° | 114.0° |
| C12 | C10 | C11 | 99.5° | 109.4° |
| C12 | C10 | H13 | 112.5° | 109.5° |
| C10 | C12 | H17 | 109.5° | 109.5° |
| C10 | C12 | H18 | 109.5° | 109.5° |
| C10 | C12 | H19 | 109.4° | 109.5° |
| C11 | C10 | H13 | 112.4° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.6° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H6 | CA | H7 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C2 | C1 | 1.0° | 0.0° |
| C16 | C15 | C2 | CG2 | 179.0° | 179.7° |
| C16 | C15 | C2 | CD1 | 175.7° | 179.8° |
| C16 | C15 | CG2 | CB | 175.6° | 179.8° |
| C16 | C15 | CG2 | H22 | 4.4° | 0.1° |
| C15 | C16 | H23 | H24 | 120.0° | 119.9° |
| C15 | C16 | H23 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| C1 | C2 | C15 | CD1 | 174.7° | 179.7° |
| C1 | C2 | C15 | CG2 | 178.0° | 179.7° |
| C1 | C2 | CD1 | CG1 | 176.8° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | CD1 | H4 | 3.2° | 0.1° |
| C2 | C15 | CG2 | CB | 3.1° | 0.5° |
| C15 | C2 | CD1 | CG1 | 2.8° | 0.3° |
| C15 | C2 | C1 | H1 | 92.4° | 90.3° |
| C15 | C2 | C1 | H2 | 147.6° | 29.7° |
| C15 | C2 | C1 | H3 | 27.7° | 149.7° |
| C15 | C2 | CD1 | H4 | 177.2° | 179.7° |
| C2 | C15 | CG2 | H22 | 176.9° | 179.8° |
| C2 | C15 | C16 | H23 | 89.7° | 90.0° |
| C2 | C15 | C16 | H24 | 150.3° | 150.1° |
| C2 | C15 | C16 | H25 | 30.3° | 30.0° |
| CG2 | C15 | C2 | CD1 | 3.3° | 0.5° |
| C15 | CG2 | CB | H22 | 180.0° | 179.7° |
| C15 | CG2 | CB | CG1 | 2.0° | 0.2° |
| C15 | CG2 | CB | CA | 176.2° | 179.8° |
| CG2 | C15 | C16 | H23 | 89.2° | 89.7° |
| CG2 | C15 | C16 | H24 | 30.8° | 30.2° |
| CG2 | C15 | C16 | H25 | 150.8° | 150.3° |
| C2 | CD1 | CG1 | H4 | 180.0° | 179.9° |
| C2 | CD1 | CG1 | CB | 2.2° | 0.1° |
| CD1 | C2 | C1 | H1 | 93.7° | 90.0° |
| CD1 | C2 | C1 | H2 | 26.3° | 150.0° |
| CD1 | C2 | C1 | H3 | 146.3° | 30.1° |
| C2 | CD1 | CG1 | H5 | 177.8° | 180.0° |
| CG2 | CB | CG1 | CD1 | 1.7° | 0.1° |
| CG2 | CB | CG1 | CA | 178.1° | 180.0° |
| CG2 | CB | CA | N | 113.1° | 90.0° |
| CG2 | CB | CG1 | H5 | 178.3° | 180.0° |
| CG2 | CB | CA | H6 | 7.9° | 30.0° |
| CG2 | CB | CA | H7 | 125.9° | 150.0° |
| CD1 | CG1 | CB | H5 | 180.0° | 179.9° |
| CD1 | CG1 | CB | CA | 176.4° | 180.0° |
| CG1 | CB | CA | N | 68.9° | 90.0° |
| CB | CG1 | CD1 | H4 | 177.8° | 180.0° |
| CG1 | CB | CA | H6 | 170.1° | 150.1° |
| CG1 | CB | CA | H7 | 52.1° | 30.0° |
| CG1 | CB | CG2 | H22 | 178.0° | 179.9° |
| CB | CA | N | H6 | 121.0° | 119.9° |
| CB | CA | N | H7 | 121.0° | 120.0° |
| CB | CA | N | C7 | 94.0° | 180.0° |
| CA | CB | CG1 | H5 | 3.5° | 0.0° |
| CB | CA | H6 | H7 | 116.8° | 120.0° |
| CB | CA | N | H8 | 86.0° | 0.0° |
| CA | CB | CG2 | H22 | 3.8° | 0.0° |
| CA | N | C7 | H8 | 180.0° | 180.0° |
| CA | N | C7 | O | 174.3° | 0.0° |
| CA | N | C7 | N2 | 0.3° | 180.0° |
| N | CA | H6 | H7 | 116.8° | 120.0° |
| N | C7 | O | N2 | 173.9° | 180.0° |
| N | C7 | N2 | C8 | 177.3° | 180.0° |
| C7 | N | CA | H6 | 145.0° | 60.0° |
| C7 | N | CA | H7 | 27.0° | 60.0° |
| N | C7 | N2 | H9 | 2.6° | 0.0° |
| O | C7 | N2 | C8 | 8.6° | 0.0° |
| O | C7 | N | H8 | 5.6° | 180.0° |
| O | C7 | N2 | H9 | 171.4° | 180.0° |
| C7 | N2 | C8 | H9 | 180.0° | 180.0° |
| C7 | N2 | C8 | C13 | 163.7° | 85.0° |
| C7 | N2 | C8 | C9 | 80.0° | 155.0° |
| N2 | C7 | N | H8 | 179.7° | 0.0° |
| C7 | N2 | C8 | H10 | 41.4° | 35.0° |
| N2 | C8 | C13 | C9 | 114.4° | 120.0° |
| N2 | C8 | C13 | H10 | 122.7° | 120.0° |
| N2 | C8 | C9 | H10 | 121.9° | 120.0° |
| N2 | C8 | C13 | O2 | 43.6° | 0.0° |
| N2 | C8 | C13 | N3 | 134.7° | 180.0° |
| N2 | C8 | C9 | C10 | 176.2° | 65.0° |
| N2 | C8 | C9 | H11 | 56.2° | 55.0° |
| N2 | C8 | C9 | H12 | 63.8° | 175.0° |
| C13 | C8 | C9 | H10 | 122.8° | 120.0° |
| C8 | C13 | O2 | N3 | 178.2° | 180.0° |
| C13 | C8 | C9 | C10 | 68.6° | 175.0° |
| C8 | C13 | N3 | O3 | 178.7° | 180.0° |
| C13 | C8 | N2 | H9 | 16.4° | 95.0° |
| C13 | C8 | C9 | H11 | 171.4° | 65.0° |
| C13 | C8 | C9 | H12 | 51.4° | 55.0° |
| C8 | C13 | N3 | H20 | 1.3° | 0.0° |
| C9 | C8 | C13 | O2 | 70.8° | 120.0° |
| C9 | C8 | C13 | N3 | 110.8° | 60.0° |
| C8 | C9 | C10 | H11 | 120.0° | 120.0° |
| C8 | C9 | C10 | H12 | 120.0° | 120.0° |
| C8 | C9 | C10 | C12 | 62.7° | 65.0° |
| C8 | C9 | C10 | C11 | 171.3° | 175.0° |
| C9 | C8 | N2 | H9 | 99.9° | 25.0° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | C10 | H13 | 61.6° | 55.0° |
| O2 | C13 | N3 | O3 | 0.4° | 0.0° |
| O2 | C13 | C8 | H10 | 166.4° | 120.0° |
| O2 | C13 | N3 | H20 | 179.6° | 180.0° |
| C13 | N3 | O3 | H20 | 180.0° | 180.0° |
| N3 | C13 | C8 | H10 | 12.0° | 60.0° |
| C13 | N3 | O3 | H21 | 0.2° | 179.9° |
| C9 | C10 | C12 | C11 | 117.0° | 120.0° |
| C9 | C10 | C12 | H13 | 123.8° | 120.1° |
| C9 | C10 | C11 | H13 | 126.7° | 120.0° |
| C10 | C9 | C8 | H10 | 54.2° | 55.0° |
| C10 | C9 | H11 | H12 | 120.0° | 120.0° |
| C9 | C10 | C11 | H14 | 180.0° | 60.0° |
| C9 | C10 | C11 | H15 | 60.0° | 180.0° |
| C9 | C10 | C11 | H16 | 60.0° | 60.0° |
| C9 | C10 | C12 | H17 | 180.0° | 60.0° |
| C9 | C10 | C12 | H18 | 60.0° | 180.0° |
| C9 | C10 | C12 | H19 | 60.0° | 59.9° |
| C12 | C10 | C11 | H13 | 119.2° | 120.0° |
| C12 | C10 | C9 | H11 | 57.3° | 175.0° |
| C12 | C10 | C9 | H12 | 177.4° | 54.9° |
| C12 | C10 | C11 | H14 | 66.0° | 60.0° |
| C12 | C10 | C11 | H15 | 54.1° | 60.0° |
| C12 | C10 | C11 | H16 | 174.1° | 180.0° |
| C10 | C12 | H17 | H18 | 120.0° | 120.0° |
| C10 | C12 | H17 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| C11 | C10 | C9 | H11 | 51.3° | 55.0° |
| C11 | C10 | C9 | H12 | 68.7° | 65.0° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C11 | C10 | C12 | H17 | 63.0° | 180.0° |
| C11 | C10 | C12 | H18 | 177.1° | 60.0° |
| C11 | C10 | C12 | H19 | 57.1° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | CD1 | CG1 | H5 | 2.2° | 0.1° |
| H6 | CA | N | H8 | 35.0° | 120.0° |
| H7 | CA | N | H8 | 153.0° | 120.0° |
| H9 | N2 | C8 | H10 | 138.6° | 145.0° |
| H10 | C8 | C9 | H11 | 65.8° | 175.0° |
| H10 | C8 | C9 | H12 | 174.2° | 65.0° |
| H11 | C9 | C10 | H13 | 178.4° | 65.0° |
| H12 | C9 | C10 | H13 | 58.4° | 175.0° |
| H13 | C10 | C11 | H14 | 53.3° | 180.0° |
| H13 | C10 | C11 | H15 | 173.3° | 60.0° |
| H13 | C10 | C11 | H16 | 66.7° | 60.0° |
| H13 | C10 | C12 | H17 | 56.2° | 60.0° |
| H13 | C10 | C12 | H18 | 63.8° | 59.9° |
| H13 | C10 | C12 | H19 | 176.3° | NaN° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| H20 | N3 | O3 | H21 | 179.8° | 0.0° |
| H23 | C16 | H24 | H25 | 120.0° | 120.1° |
