8LK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C15 | sing | 1.38Å | 1.42Å | |
| N17 | C4 | sing | 1.36Å | 1.40Å | |
| C16 | C15 | sing | 1.51Å | 1.44Å | |
| N3 | C4 | doub | 1.33Å | 1.40Å | |
| N3 | C2 | sing | 1.33Å | 1.41Å | |
| C15 | C14 | doub | 1.34Å | 1.35Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| O2 | C2 | doub | 1.22Å | 1.26Å | |
| C2 | N1 | sing | 1.34Å | 1.52Å | |
| C14 | C5 | sing | 1.47Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.50Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| O4' | C4' | sing | 1.44Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| O5' | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N17 | C4 | 107.6° | 110.2° |
| N17 | C15 | C16 | 121.3° | 125.0° |
| N17 | C15 | C14 | 110.7° | 110.0° |
| C15 | N17 | H17 | 126.2° | 124.9° |
| N17 | C4 | N3 | 127.3° | 134.0° |
| N17 | C4 | C5 | 105.6° | 107.0° |
| C4 | N17 | H17 | 126.2° | 124.9° |
| C16 | C15 | C14 | 128.0° | 125.0° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C4 | N3 | C2 | 113.7° | 120.7° |
| N3 | C4 | C5 | 127.2° | 119.0° |
| N3 | C2 | O2 | 120.7° | 119.0° |
| N3 | C2 | N1 | 118.9° | 122.0° |
| C15 | C14 | C5 | 107.0° | 106.8° |
| C15 | C14 | H13 | 126.5° | 126.6° |
| C4 | C5 | C14 | 109.1° | 106.0° |
| C4 | C5 | C6 | 119.4° | 119.2° |
| O2 | C2 | N1 | 120.4° | 119.0° |
| C2 | N1 | C6 | 123.1° | 120.5° |
| C2 | N1 | C1' | 119.6° | 119.8° |
| C14 | C5 | C6 | 131.5° | 134.9° |
| C5 | C14 | H13 | 126.5° | 126.6° |
| C5 | C6 | N1 | 117.8° | 118.6° |
| C5 | C6 | H10 | 121.1° | 120.7° |
| C6 | N1 | C1' | 117.3° | 119.7° |
| N1 | C6 | H10 | 121.1° | 120.7° |
| N1 | C1' | C2' | 109.7° | 109.9° |
| N1 | C1' | O4' | 109.5° | 109.9° |
| N1 | C1' | H9 | 109.6° | 110.0° |
| C1' | C2' | C3' | 102.7° | 104.2° |
| C2' | C1' | O4' | 107.9° | 107.3° |
| C1' | C2' | H7 | 111.1° | 110.5° |
| C1' | C2' | H8 | 111.1° | 110.5° |
| C2' | C1' | H9 | 109.3° | 109.9° |
| C2' | C3' | O3' | 106.9° | 110.9° |
| C2' | C3' | C4' | 103.6° | 102.1° |
| C2' | C3' | H5 | 111.5° | 111.0° |
| C3' | C2' | H7 | 111.2° | 110.5° |
| C3' | C2' | H8 | 111.2° | 110.5° |
| C1' | O4' | C4' | 110.9° | 107.0° |
| O4' | C1' | H9 | 110.8° | 109.9° |
| O3' | C3' | C4' | 110.3° | 110.9° |
| O3' | C3' | H5 | 113.4° | 110.8° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C3' | C4' | O4' | 106.9° | 103.6° |
| C3' | C4' | C5' | 112.9° | 110.6° |
| C3' | C4' | H4 | 108.3° | 110.7° |
| C4' | C3' | H5 | 110.7° | 110.9° |
| O5' | C5' | C4' | 108.1° | 109.5° |
| C5' | O5' | H1 | 109.5° | 114.0° |
| O5' | C5' | H2 | 109.8° | 109.5° |
| O5' | C5' | H3 | 109.8° | 109.5° |
| O4' | C4' | C5' | 109.0° | 110.6° |
| O4' | C4' | H4 | 110.9° | 110.6° |
| C4' | C5' | H2 | 109.8° | 109.4° |
| C4' | C5' | H3 | 109.8° | 109.4° |
| C5' | C4' | H4 | 108.8° | 110.6° |
| H2 | C5' | H3 | 109.4° | 109.5° |
| H7 | C2' | H8 | 109.4° | 110.6° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N17 | C4 | H17 | 180.0° | 179.9° |
| N17 | C15 | C16 | C14 | 179.3° | 180.0° |
| C15 | N17 | C4 | N3 | 179.5° | 180.0° |
| C15 | N17 | C4 | C5 | 0.7° | 0.0° |
| N17 | C15 | C14 | C5 | 0.6° | 0.0° |
| N17 | C15 | C14 | H13 | 179.4° | 180.0° |
| N17 | C15 | C16 | H14 | 180.0° | 90.0° |
| N17 | C15 | C16 | H15 | 60.0° | 30.0° |
| N17 | C15 | C16 | H16 | 60.0° | 150.0° |
| C4 | N17 | C15 | C16 | 179.5° | 180.0° |
| N17 | C4 | N3 | C5 | 179.8° | 179.9° |
| N17 | C4 | N3 | C2 | 179.5° | 180.0° |
| C4 | N17 | C15 | C14 | 0.1° | 0.0° |
| N17 | C4 | C5 | C14 | 1.0° | 0.0° |
| N17 | C4 | C5 | C6 | 178.9° | 180.0° |
| C16 | C15 | C14 | C5 | 178.8° | 180.0° |
| C16 | C15 | C14 | H13 | 1.2° | 0.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C15 | N17 | H17 | 0.5° | 0.0° |
| C4 | N3 | C2 | O2 | 179.5° | 180.0° |
| C4 | N3 | C2 | N1 | 1.6° | 0.1° |
| N3 | C4 | C5 | C14 | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 1.3° | 0.1° |
| N3 | C4 | N17 | H17 | 0.5° | 0.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.1° |
| N3 | C2 | O2 | N1 | 178.9° | 180.0° |
| N3 | C2 | N1 | C6 | 1.5° | 0.0° |
| N3 | C2 | N1 | C1' | 179.3° | 179.7° |
| C15 | C14 | C5 | C4 | 1.0° | 0.0° |
| C15 | C14 | C5 | H13 | 180.0° | 180.0° |
| C15 | C14 | C5 | C6 | 178.5° | 180.0° |
| C14 | C15 | C16 | H14 | 0.7° | 90.0° |
| C14 | C15 | C16 | H15 | 119.3° | 150.0° |
| C14 | C15 | C16 | H16 | 120.7° | 30.0° |
| C14 | C15 | N17 | H17 | 179.9° | 179.9° |
| C4 | C5 | C14 | C6 | 177.5° | 179.9° |
| C4 | C5 | C6 | N1 | 1.4° | 0.0° |
| C4 | C5 | C14 | H13 | 179.0° | 180.0° |
| C5 | C4 | N17 | H17 | 179.3° | 179.9° |
| C4 | C5 | C6 | H10 | 178.6° | 179.7° |
| O2 | C2 | N1 | C6 | 179.6° | 180.0° |
| O2 | C2 | N1 | C1' | 0.4° | 0.3° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | C1' | 179.2° | 179.7° |
| C2 | N1 | C1' | C2' | 97.2° | 64.7° |
| C2 | N1 | C1' | O4' | 144.5° | 53.1° |
| C2 | N1 | C1' | H9 | 22.8° | 174.2° |
| C2 | N1 | C6 | H10 | 179.9° | 179.7° |
| C14 | C5 | C6 | N1 | 178.7° | 180.0° |
| C14 | C5 | C6 | H10 | 1.3° | 0.3° |
| C5 | C6 | N1 | H10 | 180.0° | 179.7° |
| C5 | C6 | N1 | C1' | 179.1° | 179.7° |
| C6 | C5 | C14 | H13 | 1.5° | 0.1° |
| C6 | N1 | C1' | C2' | 82.0° | 115.0° |
| C6 | N1 | C1' | O4' | 36.2° | 127.2° |
| C6 | N1 | C1' | H9 | 157.9° | 6.1° |
| N1 | C1' | C2' | O4' | 119.3° | 119.4° |
| N1 | C1' | C2' | H9 | 120.2° | 121.2° |
| N1 | C1' | C2' | C3' | 148.1° | 121.4° |
| N1 | C1' | O4' | H9 | 121.0° | 121.2° |
| N1 | C1' | O4' | C4' | 142.9° | 145.8° |
| N1 | C1' | C2' | H7 | 93.0° | 2.8° |
| N1 | C1' | C2' | H8 | 29.2° | 119.9° |
| C1' | N1 | C6 | H10 | 0.9° | 0.0° |
| C1' | C2' | C3' | H7 | 118.9° | 118.7° |
| C1' | C2' | C3' | H8 | 118.9° | 118.7° |
| C2' | C1' | O4' | H9 | 119.6° | 119.4° |
| C1' | C2' | C3' | O3' | 93.7° | 139.0° |
| C1' | C2' | C3' | C4' | 22.9° | 20.8° |
| C2' | C1' | O4' | C4' | 23.5° | 26.4° |
| C1' | C2' | C3' | H5 | 142.0° | 97.4° |
| C1' | C2' | H7 | H8 | 123.1° | 122.6° |
| C3' | C2' | C1' | O4' | 28.8° | 2.0° |
| C2' | C3' | O3' | C4' | 112.0° | 112.7° |
| C2' | C3' | O3' | H5 | 123.2° | 123.7° |
| C2' | C3' | C4' | H5 | 119.6° | 118.3° |
| C2' | C3' | C4' | O4' | 10.5° | 37.0° |
| C2' | C3' | C4' | C5' | 109.4° | 155.5° |
| C2' | C3' | C4' | H4 | 130.1° | 81.6° |
| C2' | C3' | O3' | H6 | 180.0° | 67.3° |
| C3' | C2' | H7 | H8 | 123.2° | 122.6° |
| C3' | C2' | C1' | H9 | 91.8° | 117.4° |
| C1' | O4' | C4' | C3' | 7.7° | 40.0° |
| C1' | O4' | C4' | C5' | 130.1° | 158.5° |
| C1' | O4' | C4' | H4 | 110.2° | 78.6° |
| O4' | C1' | C2' | H7 | 147.7° | 116.7° |
| O4' | C1' | C2' | H8 | 90.1° | 120.7° |
| O3' | C3' | C4' | H5 | 126.3° | 123.6° |
| O3' | C3' | C4' | O4' | 103.6° | 155.1° |
| O3' | C3' | C4' | C5' | 136.6° | 86.3° |
| O3' | C3' | C4' | H4 | 16.0° | 36.6° |
| O3' | C3' | C2' | H7 | 25.2° | 102.3° |
| O3' | C3' | C2' | H8 | 147.4° | 20.3° |
| C3' | C4' | C5' | O5' | 35.2° | 177.2° |
| C3' | C4' | O4' | C5' | 122.3° | 118.6° |
| C3' | C4' | O4' | H4 | 117.9° | 118.6° |
| C3' | C4' | C5' | H4 | 120.3° | 122.9° |
| C3' | C4' | C5' | H2 | 84.6° | 62.8° |
| C3' | C4' | C5' | H3 | 155.0° | 57.2° |
| C4' | C3' | O3' | H6 | 67.9° | 180.0° |
| C4' | C3' | C2' | H7 | 141.8° | 139.5° |
| C4' | C3' | C2' | H8 | 96.1° | 97.9° |
| O5' | C5' | C4' | O4' | 83.5° | 68.6° |
| O5' | C5' | C4' | H2 | 119.8° | 120.0° |
| O5' | C5' | C4' | H3 | 119.8° | 120.0° |
| O5' | C5' | H2 | H3 | 120.6° | 120.1° |
| O5' | C5' | C4' | H4 | 155.4° | 54.3° |
| O4' | C4' | C5' | H4 | 121.1° | 122.8° |
| O4' | C4' | C5' | H2 | 156.7° | 51.4° |
| O4' | C4' | C5' | H3 | 36.3° | 171.4° |
| O4' | C4' | C3' | H5 | 130.1° | 81.3° |
| C4' | O4' | C1' | H9 | 96.1° | 93.0° |
| C4' | C5' | O5' | H1 | 180.0° | 180.0° |
| C4' | C5' | H2 | H3 | 120.6° | 120.0° |
| C5' | C4' | C3' | H5 | 10.3° | 37.3° |
| H1 | O5' | C5' | H2 | 60.2° | 60.1° |
| H1 | O5' | C5' | H3 | 60.2° | 60.0° |
| H2 | C5' | C4' | H4 | 35.6° | 174.3° |
| H3 | C5' | C4' | H4 | 84.8° | 65.7° |
| H4 | C4' | C3' | H5 | 110.3° | 160.1° |
| H5 | C3' | O3' | H6 | 56.8° | 56.4° |
| H5 | C3' | C2' | H7 | 99.1° | 21.3° |
| H5 | C3' | C2' | H8 | 23.0° | 143.9° |
| H7 | C2' | C1' | H9 | 27.2° | 124.0° |
| H8 | C2' | C1' | H9 | 149.3° | 1.3° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
