53L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C23 | doub | 1.22Å | 1.22Å | |
| C23 | N25 | sing | 1.34Å | 1.38Å | |
| C23 | N22 | sing | 1.34Å | 1.37Å | |
| N25 | C26 | sing | 1.34Å | 1.37Å | |
| N22 | C20 | doub | 1.30Å | 1.29Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C26 | C19 | sing | 1.50Å | 1.48Å | |
| C20 | C19 | sing | 1.50Å | 1.48Å | |
| C20 | O21 | sing | 1.34Å | 1.35Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C19 | C2 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.48Å | |
| C5 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N11 | sing | 1.46Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | O6 | sing | 1.43Å | 1.42Å | |
| O30 | N28 | doub | 1.22Å | 1.24Å | |
| C15 | N28 | sing | 1.48Å | 1.43Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N28 | O29 | sing | 1.22Å | 1.23Å | |
| N11 | C12 | sing | 1.39Å | 1.42Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C23 | N25 | 120.9° | 119.2° |
| O24 | C23 | N22 | 119.1° | 119.2° |
| N25 | C23 | N22 | 119.8° | 121.7° |
| C23 | N25 | C26 | 125.6° | 121.4° |
| C23 | N25 | H25 | 117.2° | 119.3° |
| C23 | N22 | C20 | 118.2° | 122.5° |
| N25 | C26 | O27 | 124.6° | 119.3° |
| N25 | C26 | C19 | 113.8° | 121.4° |
| C26 | N25 | H25 | 117.2° | 119.3° |
| N22 | C20 | C19 | 124.9° | 122.4° |
| N22 | C20 | O21 | 121.1° | 118.8° |
| O27 | C26 | C19 | 121.4° | 119.3° |
| C26 | C19 | C20 | 113.7° | 110.6° |
| C26 | C19 | C18 | 105.0° | 109.6° |
| C26 | C19 | C2 | 106.8° | 109.5° |
| C19 | C20 | O21 | 113.8° | 118.8° |
| C20 | C19 | C18 | 101.1° | 109.7° |
| C20 | C19 | C2 | 118.3° | 109.6° |
| C20 | O21 | H21 | 109.5° | 117.0° |
| C18 | C19 | C2 | 111.1° | 107.9° |
| C19 | C18 | C17 | 113.3° | 109.9° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C19 | C18 | H183 | 108.5° | 109.3° |
| C19 | C2 | C3 | 107.9° | 109.8° |
| C19 | C2 | N11 | 113.8° | 108.7° |
| C19 | C2 | H2 | 110.4° | 109.8° |
| C18 | C17 | C16 | 116.7° | 118.1° |
| C18 | C17 | C12 | 121.3° | 122.1° |
| C17 | C18 | H182 | 108.5° | 109.4° |
| C17 | C18 | H183 | 108.5° | 109.4° |
| C5 | C3 | C2 | 113.9° | 109.6° |
| C5 | C3 | O6 | 103.5° | 109.5° |
| C5 | C3 | H3 | 108.9° | 109.7° |
| C3 | C5 | H51 | 109.5° | 109.5° |
| C3 | C5 | H52 | 109.5° | 109.5° |
| C3 | C5 | H53 | 109.5° | 109.5° |
| C3 | C2 | N11 | 102.7° | 109.4° |
| C2 | C3 | O6 | 111.5° | 109.0° |
| C3 | C2 | H2 | 110.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | N11 | C12 | 119.6° | 113.1° |
| C2 | N11 | C10 | 119.2° | 111.0° |
| N11 | C2 | H2 | 111.3° | 109.6° |
| C17 | C16 | C15 | 117.6° | 120.5° |
| C16 | C17 | C12 | 121.9° | 119.8° |
| C17 | C16 | H16 | 121.2° | 119.8° |
| C16 | C15 | N28 | 119.9° | 120.1° |
| C16 | C15 | C14 | 122.6° | 120.0° |
| C15 | C16 | H16 | 121.2° | 119.8° |
| C17 | C12 | N11 | 120.5° | 122.7° |
| C17 | C12 | C13 | 118.1° | 119.5° |
| C3 | O6 | C7 | 109.1° | 113.9° |
| O6 | C3 | H3 | 110.0° | 109.6° |
| O30 | N28 | C15 | 117.0° | 120.0° |
| O30 | N28 | O29 | 127.3° | 120.0° |
| N28 | C15 | C14 | 117.4° | 120.0° |
| C15 | N28 | O29 | 115.6° | 120.0° |
| C15 | C14 | C13 | 118.4° | 119.9° |
| C15 | C14 | H14 | 120.8° | 120.1° |
| C12 | N11 | C10 | 120.1° | 112.0° |
| N11 | C12 | C13 | 121.3° | 117.8° |
| N11 | C10 | C7 | 112.9° | 109.1° |
| N11 | C10 | H102 | 108.6° | 109.6° |
| N11 | C10 | H103 | 108.6° | 109.6° |
| C12 | C13 | C14 | 121.3° | 120.4° |
| C12 | C13 | H13 | 119.4° | 119.8° |
| O6 | C7 | C10 | 106.5° | 109.4° |
| O6 | C7 | C9 | 108.3° | 109.5° |
| O6 | C7 | H7 | 112.5° | 109.5° |
| C14 | C13 | H13 | 119.3° | 119.8° |
| C13 | C14 | H14 | 120.8° | 120.0° |
| C10 | C7 | C9 | 107.3° | 109.4° |
| C10 | C7 | H7 | 111.0° | 109.4° |
| C7 | C10 | H102 | 108.6° | 109.5° |
| C7 | C10 | H103 | 108.6° | 109.5° |
| C9 | C7 | H7 | 110.9° | 109.6° |
| C7 | C9 | H91 | 109.5° | 109.4° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.6° |
| H182 | C18 | H183 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C23 | N25 | N22 | 175.2° | 179.9° |
| O24 | C23 | N25 | C26 | 177.6° | 180.0° |
| O24 | C23 | N22 | C20 | 175.2° | 179.9° |
| O24 | C23 | N25 | H25 | 2.4° | 0.2° |
| C23 | N25 | C26 | H25 | 180.0° | 179.9° |
| N25 | C23 | N22 | C20 | 9.5° | 0.0° |
| C23 | N25 | C26 | O27 | 176.8° | 180.0° |
| C23 | N25 | C26 | C19 | 8.8° | 0.2° |
| N22 | C23 | N25 | C26 | 7.2° | 0.1° |
| C23 | N22 | C20 | C19 | 4.6° | 0.0° |
| C23 | N22 | C20 | O21 | 179.3° | 180.0° |
| N22 | C23 | N25 | H25 | 172.8° | 180.0° |
| N25 | C26 | O27 | C19 | 174.0° | 179.8° |
| N25 | C26 | C19 | C20 | 20.4° | 0.2° |
| N25 | C26 | C19 | C18 | 89.2° | 121.2° |
| N25 | C26 | C19 | C2 | 152.7° | 120.7° |
| N22 | C20 | C19 | C26 | 20.0° | 0.1° |
| N22 | C20 | C19 | O21 | 175.0° | 180.0° |
| N22 | C20 | C19 | C18 | 92.0° | 121.0° |
| N22 | C20 | C19 | C2 | 146.5° | 120.7° |
| N22 | C20 | O21 | H21 | 0.0° | 0.0° |
| O27 | C26 | C19 | C20 | 165.0° | 180.0° |
| O27 | C26 | C19 | C18 | 85.3° | 59.0° |
| O27 | C26 | C19 | C2 | 32.7° | 59.1° |
| O27 | C26 | N25 | H25 | 3.2° | 0.1° |
| C26 | C19 | C20 | C18 | 112.0° | 120.9° |
| C26 | C19 | C20 | C2 | 126.5° | 120.8° |
| C26 | C19 | C20 | O21 | 165.0° | 179.9° |
| C26 | C19 | C18 | C2 | 115.1° | 119.1° |
| C26 | C19 | C18 | C17 | 162.5° | 165.6° |
| C26 | C19 | C2 | C3 | 83.3° | 53.2° |
| C26 | C19 | C2 | N11 | 163.4° | 172.9° |
| C26 | C19 | C2 | H2 | 37.5° | 67.3° |
| C26 | C19 | C18 | H182 | 76.9° | 45.5° |
| C26 | C19 | C18 | H183 | 41.9° | 74.2° |
| C19 | C26 | N25 | H25 | 171.2° | 179.9° |
| C20 | C19 | C18 | C2 | 126.4° | 119.3° |
| C20 | C19 | C18 | C17 | 79.0° | 72.8° |
| C20 | C19 | C2 | C3 | 46.4° | 68.3° |
| C20 | C19 | C2 | N11 | 66.8° | 51.3° |
| C20 | C19 | C2 | H2 | 167.2° | 171.2° |
| C20 | C19 | C18 | H182 | 41.6° | 167.1° |
| C20 | C19 | C18 | H183 | 160.4° | 47.4° |
| C19 | C20 | O21 | H21 | 175.2° | 180.0° |
| O21 | C20 | C19 | C18 | 83.0° | 59.0° |
| O21 | C20 | C19 | C2 | 38.5° | 59.3° |
| C19 | C18 | C17 | H182 | 120.6° | 120.2° |
| C19 | C18 | C17 | H183 | 120.6° | 120.1° |
| C18 | C19 | C2 | C3 | 162.7° | 172.4° |
| C18 | C19 | C2 | N11 | 49.4° | 68.0° |
| C19 | C18 | C17 | C16 | 156.8° | 165.3° |
| C19 | C18 | C17 | C12 | 26.3° | 15.1° |
| C18 | C19 | C2 | H2 | 76.5° | 51.9° |
| C19 | C18 | H182 | H183 | 118.2° | 119.7° |
| C2 | C19 | C18 | C17 | 47.4° | 46.5° |
| C19 | C2 | C3 | C5 | 63.0° | 64.0° |
| C19 | C2 | C3 | N11 | 120.5° | 119.2° |
| C19 | C2 | C3 | H2 | 120.8° | 120.7° |
| C19 | C2 | N11 | H2 | 125.5° | 120.1° |
| C19 | C2 | C3 | O6 | 179.7° | 176.2° |
| C19 | C2 | N11 | C12 | 29.1° | 54.2° |
| C19 | C2 | N11 | C10 | 163.0° | 179.0° |
| C19 | C2 | C3 | H3 | 58.8° | 56.4° |
| C2 | C19 | C18 | H182 | 168.0° | 73.6° |
| C2 | C19 | C18 | H183 | 73.2° | 166.7° |
| C18 | C17 | C16 | C12 | 176.9° | 179.6° |
| C18 | C17 | C16 | C15 | 178.4° | 179.1° |
| C18 | C17 | C12 | N11 | 4.5° | 1.1° |
| C18 | C17 | C12 | C13 | 178.8° | 179.0° |
| C18 | C17 | C16 | H16 | 1.6° | 0.8° |
| C17 | C18 | H182 | H183 | 118.3° | 119.8° |
| C5 | C3 | C2 | O6 | 116.7° | 119.8° |
| C5 | C3 | C2 | H3 | 121.7° | 120.3° |
| C5 | C3 | C2 | N11 | 176.5° | 176.8° |
| C5 | C3 | O6 | H3 | 116.3° | 120.3° |
| C5 | C3 | O6 | C7 | 162.7° | 178.3° |
| C5 | C3 | C2 | H2 | 57.8° | 56.7° |
| C3 | C5 | H51 | H52 | 120.0° | 120.0° |
| C3 | C5 | H51 | H53 | 120.0° | 120.0° |
| C3 | C5 | H52 | H53 | 120.0° | 120.0° |
| C3 | C2 | N11 | H2 | 118.2° | 120.0° |
| C2 | C3 | O6 | H3 | 120.8° | 119.8° |
| C3 | C2 | N11 | C12 | 145.4° | 174.1° |
| C3 | C2 | N11 | C10 | 46.7° | 59.1° |
| C2 | C3 | O6 | C7 | 74.4° | 58.4° |
| C2 | C3 | C5 | H51 | 180.0° | 82.4° |
| C2 | C3 | C5 | H52 | 60.0° | 157.7° |
| C2 | C3 | C5 | H53 | 60.0° | 37.6° |
| C2 | N11 | C12 | C17 | 6.2° | 21.1° |
| N11 | C2 | C3 | O6 | 59.8° | 57.0° |
| C2 | N11 | C12 | C10 | 167.8° | 126.3° |
| C2 | N11 | C12 | C13 | 177.2° | 158.9° |
| C2 | N11 | C10 | C7 | 44.8° | 58.5° |
| N11 | C2 | C3 | H3 | 61.7° | 62.9° |
| C2 | N11 | C10 | H102 | 165.3° | 61.3° |
| C2 | N11 | C10 | H103 | 75.7° | 178.4° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | N28 | 179.5° | 179.9° |
| C17 | C16 | C15 | C14 | 0.6° | 0.1° |
| C16 | C17 | C12 | N11 | 178.6° | 179.4° |
| C16 | C17 | C12 | C13 | 2.0° | 0.6° |
| C16 | C17 | C18 | H182 | 36.2° | 74.5° |
| C16 | C17 | C18 | H183 | 82.7° | 45.3° |
| C15 | C16 | C17 | C12 | 1.5° | 0.5° |
| C16 | C15 | N28 | O30 | 36.2° | 0.0° |
| C16 | C15 | N28 | C14 | 179.9° | 180.0° |
| C16 | C15 | N28 | O29 | 145.4° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.2° |
| C16 | C15 | C14 | H14 | 179.7° | 179.8° |
| C17 | C12 | N11 | C13 | 176.6° | 180.0° |
| C17 | C12 | N11 | C10 | 174.0° | 147.4° |
| C17 | C12 | C13 | C14 | 1.6° | 0.3° |
| C17 | C12 | C13 | H13 | 178.4° | 179.6° |
| C12 | C17 | C16 | H16 | 178.5° | 179.6° |
| C12 | C17 | C18 | H182 | 146.9° | 105.1° |
| C12 | C17 | C18 | H183 | 94.3° | 135.2° |
| C3 | O6 | C7 | C10 | 63.7° | 58.3° |
| C3 | O6 | C7 | C9 | 178.9° | 178.3° |
| O6 | C3 | C2 | H2 | 58.9° | 63.1° |
| O6 | C3 | C5 | H51 | 58.7° | 158.1° |
| O6 | C3 | C5 | H52 | 61.3° | 38.2° |
| O6 | C3 | C5 | H53 | 178.8° | 81.9° |
| C3 | O6 | C7 | H7 | 58.1° | 61.6° |
| O30 | N28 | C15 | O29 | 178.4° | 180.0° |
| O30 | N28 | C15 | C14 | 143.9° | 180.0° |
| N28 | C15 | C14 | C13 | 179.9° | 179.8° |
| N28 | C15 | C14 | H14 | 0.1° | 0.2° |
| N28 | C15 | C16 | H16 | 0.5° | 0.0° |
| C14 | C15 | N28 | O29 | 34.5° | 0.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.3° | 180.0° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| N11 | C12 | C13 | C14 | 178.2° | 179.7° |
| C12 | N11 | C10 | C7 | 147.3° | 174.0° |
| C12 | N11 | C2 | H2 | 96.4° | 65.9° |
| C12 | N11 | C10 | H102 | 26.8° | 66.1° |
| C12 | N11 | C10 | H103 | 92.2° | 54.1° |
| N11 | C12 | C13 | H13 | 1.8° | 0.4° |
| C10 | N11 | C12 | C13 | 9.4° | 32.6° |
| N11 | C10 | C7 | O6 | 48.8° | 56.3° |
| N11 | C10 | C7 | H102 | 120.5° | 119.9° |
| N11 | C10 | C7 | H103 | 120.5° | 119.9° |
| N11 | C10 | C7 | C9 | 164.7° | 176.3° |
| C10 | N11 | C2 | H2 | 71.5° | 61.0° |
| N11 | C10 | C7 | H7 | 73.9° | 63.6° |
| N11 | C10 | H102 | H103 | 118.4° | 120.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.2° | 179.9° |
| O6 | C7 | C10 | C9 | 115.9° | 120.0° |
| O6 | C7 | C10 | H7 | 122.8° | 120.0° |
| O6 | C7 | C9 | H7 | 123.9° | 120.1° |
| C7 | O6 | C3 | H3 | 46.4° | 61.4° |
| O6 | C7 | C9 | H91 | 180.0° | 60.1° |
| O6 | C7 | C9 | H92 | 60.0° | 180.0° |
| O6 | C7 | C9 | H93 | 60.0° | 59.9° |
| O6 | C7 | C10 | H102 | 169.4° | 63.6° |
| O6 | C7 | C10 | H103 | 71.6° | 176.3° |
| C10 | C7 | C9 | H7 | 121.4° | 120.0° |
| C10 | C7 | C9 | H91 | 65.3° | 180.0° |
| C10 | C7 | C9 | H92 | 54.7° | 60.0° |
| C10 | C7 | C9 | H93 | 174.7° | 60.0° |
| C7 | C10 | H102 | H103 | 118.5° | 120.1° |
| C7 | C9 | H91 | H92 | 120.0° | 120.0° |
| C7 | C9 | H91 | H93 | 120.0° | 120.0° |
| C7 | C9 | H92 | H93 | 120.0° | 120.1° |
| C9 | C7 | C10 | H102 | 74.8° | 56.4° |
| C9 | C7 | C10 | H103 | 44.2° | 63.8° |
| H2 | C2 | C3 | H3 | 179.5° | 177.0° |
| H3 | C3 | C5 | H51 | 58.3° | 37.9° |
| H3 | C3 | C5 | H52 | 178.3° | 82.0° |
| H3 | C3 | C5 | H53 | 61.7° | 157.9° |
| H51 | C5 | H52 | H53 | 120.0° | 120.0° |
| H7 | C7 | C9 | H91 | 56.0° | 60.0° |
| H7 | C7 | C9 | H92 | 176.1° | 59.9° |
| H7 | C7 | C9 | H93 | 63.9° | 180.0° |
| H7 | C7 | C10 | H102 | 46.6° | 176.5° |
| H7 | C7 | C10 | H103 | 165.6° | 56.3° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.0° |
