2GG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O21 | sing | 1.43Å | 1.46Å | |
| O21 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | |
| C18 | C17 | doub | 1.39Å | 1.41Å | |
| C17 | C16 | sing | 1.39Å | 1.40Å | |
| C20 | C7 | sing | 1.39Å | 1.42Å | |
| C16 | C7 | doub | 1.40Å | 1.40Å | |
| C7 | C3 | sing | 1.44Å | 1.44Å | |
| C3 | C2 | sing | 1.40Å | 1.41Å | |
| C2 | C8 | sing | 1.44Å | 1.51Å | |
| C8 | O9 | doub | 1.25Å | 1.23Å | |
| C8 | N10 | sing | 1.41Å | 1.35Å | |
| N10 | C26 | sing | 1.44Å | 1.48Å | |
| C26 | C27 | sing | 1.49Å | 1.54Å | |
| C2 | N1 | doub | 1.34Å | 1.34Å | |
| C3 | C4 | doub | 1.37Å | 1.41Å | |
| C4 | C6 | sing | 1.44Å | 1.41Å | |
| C6 | C11 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | |
| C12 | CL25 | sing | 1.73Å | 1.75Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | |
| C13 | O24 | sing | 1.36Å | 1.34Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | |
| C6 | C15 | doub | 1.40Å | 1.40Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | |
| C15 | O23 | sing | 1.36Å | 1.36Å | |
| N1 | O3 | sing | 1.39Å | 1.39Å | |
| C4 | O3 | sing | 1.36Å | 1.36Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| N10 | H10 | sing | 1.02Å | 1.00Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C27 | H273 | sing | 1.10Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O21 | C18 | 118.7° | 117.0° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H222 | 109.4° | 109.6° |
| O21 | C22 | H223 | 109.5° | 108.9° |
| O21 | C18 | C19 | 124.1° | 120.0° |
| O21 | C18 | C17 | 116.8° | 120.0° |
| C18 | C19 | C20 | 119.0° | 120.0° |
| C19 | C18 | C17 | 119.0° | 120.0° |
| C18 | C19 | H19 | 120.5° | 120.3° |
| C19 | C20 | C7 | 122.1° | 120.0° |
| C20 | C19 | H19 | 120.5° | 119.7° |
| C19 | C20 | H20 | 119.0° | 119.1° |
| C18 | C17 | C16 | 121.0° | 120.0° |
| C18 | C17 | H17 | 119.5° | 120.3° |
| C17 | C16 | C7 | 121.5° | 120.0° |
| C16 | C17 | H17 | 119.6° | 119.6° |
| C17 | C16 | H16 | 119.2° | 119.2° |
| C20 | C7 | C16 | 117.4° | 120.0° |
| C20 | C7 | C3 | 121.8° | 120.0° |
| C7 | C20 | H20 | 119.0° | 120.8° |
| C16 | C7 | C3 | 120.8° | 120.0° |
| C7 | C16 | H16 | 119.3° | 120.9° |
| C7 | C3 | C2 | 128.3° | 131.4° |
| C7 | C3 | C4 | 127.4° | 124.6° |
| C3 | C2 | C8 | 126.9° | 128.3° |
| C3 | C2 | N1 | 111.5° | 112.2° |
| C2 | C3 | C4 | 104.3° | 104.0° |
| C2 | C8 | O9 | 121.7° | 121.2° |
| C2 | C8 | N10 | 114.9° | 117.7° |
| C8 | C2 | N1 | 121.6° | 119.5° |
| O9 | C8 | N10 | 123.3° | 121.1° |
| C8 | N10 | C26 | 121.4° | 124.3° |
| C8 | N10 | H10 | 119.3° | 118.6° |
| N10 | C26 | C27 | 109.8° | 111.1° |
| C26 | N10 | H10 | 119.3° | 117.0° |
| N10 | C26 | H261 | 109.3° | 107.8° |
| N10 | C26 | H262 | 109.3° | 107.7° |
| C27 | C26 | H261 | 109.4° | 110.5° |
| C27 | C26 | H262 | 109.3° | 110.8° |
| C26 | C27 | H271 | 109.5° | 110.9° |
| C26 | C27 | H272 | 109.4° | 110.9° |
| C26 | C27 | H273 | 109.5° | 109.8° |
| C2 | N1 | O3 | 106.1° | 105.0° |
| C3 | C4 | C6 | 128.1° | 135.4° |
| C3 | C4 | O3 | 108.1° | 109.6° |
| C4 | C6 | C11 | 118.9° | 119.4° |
| C4 | C6 | C15 | 121.7° | 121.1° |
| C6 | C4 | O3 | 123.8° | 115.0° |
| C6 | C11 | C12 | 121.1° | 120.3° |
| C11 | C6 | C15 | 119.3° | 119.4° |
| C6 | C11 | H11 | 119.4° | 119.8° |
| C11 | C12 | CL25 | 121.0° | 119.0° |
| C11 | C12 | C13 | 118.7° | 120.0° |
| C12 | C11 | H11 | 119.5° | 120.0° |
| CL25 | C12 | C13 | 120.3° | 120.9° |
| C12 | C13 | O24 | 119.8° | 121.3° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| O24 | C13 | C14 | 118.9° | 118.7° |
| C13 | O24 | H24 | 109.5° | 110.1° |
| C13 | C14 | C15 | 119.1° | 120.0° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| C6 | C15 | C14 | 120.4° | 120.3° |
| C6 | C15 | O23 | 121.0° | 121.0° |
| C14 | C15 | O23 | 118.5° | 118.7° |
| C15 | C14 | H14 | 120.4° | 120.0° |
| C15 | O23 | H23 | 109.5° | 110.1° |
| N1 | O3 | C4 | 110.1° | 109.3° |
| H221 | C22 | H222 | 109.5° | 110.1° |
| H221 | C22 | H223 | 109.4° | 109.3° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.8° | 108.8° |
| H271 | C27 | H272 | 109.5° | 109.2° |
| H271 | C27 | H273 | 109.4° | 107.9° |
| H272 | C27 | H273 | 109.5° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | O21 | C18 | C19 | 0.7° | 180.0° |
| C22 | O21 | C18 | C17 | 178.9° | 0.1° |
| O21 | C22 | H221 | H222 | 120.0° | 120.5° |
| O21 | C22 | H221 | H223 | 120.0° | 119.3° |
| O21 | C22 | H222 | H223 | 120.0° | 119.4° |
| O21 | C18 | C19 | C17 | 178.1° | 179.9° |
| O21 | C18 | C19 | C20 | 179.4° | 179.9° |
| O21 | C18 | C17 | C16 | 179.7° | 179.9° |
| C18 | O21 | C22 | H221 | 82.6° | 82.1° |
| C18 | O21 | C22 | H222 | 157.3° | 38.8° |
| C18 | O21 | C22 | H223 | 37.4° | 158.4° |
| O21 | C18 | C19 | H19 | 0.6° | 0.1° |
| O21 | C18 | C17 | H17 | 0.3° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.4° | 0.0° |
| C18 | C19 | C20 | C7 | 1.2° | 0.0° |
| C19 | C18 | C17 | H17 | 178.6° | 179.9° |
| C18 | C19 | C20 | H20 | 178.8° | 179.9° |
| C20 | C19 | C18 | C17 | 1.3° | 0.0° |
| C19 | C20 | C7 | H20 | 180.0° | 179.9° |
| C19 | C20 | C7 | C16 | 1.2° | 0.0° |
| C19 | C20 | C7 | C3 | 179.1° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C7 | 1.4° | 0.0° |
| C17 | C18 | C19 | H19 | 178.7° | 180.0° |
| C18 | C17 | C16 | H16 | 178.6° | 180.0° |
| C17 | C16 | C7 | C20 | 1.3° | 0.0° |
| C17 | C16 | C7 | H16 | 180.0° | 180.0° |
| C17 | C16 | C7 | C3 | 179.2° | 180.0° |
| C20 | C7 | C16 | C3 | 177.9° | 180.0° |
| C20 | C7 | C3 | C2 | 113.6° | 90.0° |
| C20 | C7 | C3 | C4 | 65.7° | 90.0° |
| C7 | C20 | C19 | H19 | 178.8° | 180.0° |
| C20 | C7 | C16 | H16 | 178.8° | 180.0° |
| C16 | C7 | C3 | C2 | 68.5° | 90.0° |
| C16 | C7 | C3 | C4 | 112.1° | 90.0° |
| C7 | C16 | C17 | H17 | 178.6° | 179.9° |
| C16 | C7 | C20 | H20 | 178.9° | 179.9° |
| C7 | C3 | C2 | C4 | 179.4° | 180.0° |
| C7 | C3 | C2 | C8 | 2.4° | 0.0° |
| C7 | C3 | C2 | N1 | 179.0° | 180.0° |
| C7 | C3 | C4 | C6 | 0.1° | 0.0° |
| C7 | C3 | C4 | O3 | 178.9° | 180.0° |
| C3 | C7 | C20 | H20 | 1.0° | 0.1° |
| C3 | C7 | C16 | H16 | 0.9° | 0.0° |
| C3 | C2 | C8 | N1 | 178.5° | 180.0° |
| C3 | C2 | C8 | O9 | 27.3° | 1.1° |
| C3 | C2 | C8 | N10 | 148.4° | 180.0° |
| C2 | C3 | C4 | C6 | 179.4° | 180.0° |
| C3 | C2 | N1 | O3 | 0.2° | 0.0° |
| C2 | C3 | C4 | O3 | 0.6° | 0.0° |
| C2 | C8 | O9 | N10 | 175.3° | 178.9° |
| C2 | C8 | N10 | C26 | 179.7° | 178.9° |
| C8 | C2 | C3 | C4 | 178.1° | 180.0° |
| C8 | C2 | N1 | O3 | 178.5° | 180.0° |
| C2 | C8 | N10 | H10 | 0.3° | 3.1° |
| O9 | C8 | N10 | C26 | 4.6° | 0.0° |
| O9 | C8 | C2 | N1 | 154.2° | 178.9° |
| O9 | C8 | N10 | H10 | 175.4° | 175.8° |
| C8 | N10 | C26 | H10 | 180.0° | 175.8° |
| C8 | N10 | C26 | C27 | 93.3° | 0.0° |
| N10 | C8 | C2 | N1 | 30.1° | 0.0° |
| C8 | N10 | C26 | H261 | 146.7° | 121.2° |
| C8 | N10 | C26 | H262 | 26.5° | 121.5° |
| N10 | C26 | C27 | H261 | 120.0° | 119.6° |
| N10 | C26 | C27 | H262 | 119.8° | 119.7° |
| N10 | C26 | H261 | H262 | 119.9° | 116.6° |
| N10 | C26 | C27 | H271 | 56.3° | 61.3° |
| N10 | C26 | C27 | H272 | 63.6° | 60.2° |
| N10 | C26 | C27 | H273 | 176.3° | 179.5° |
| C27 | C26 | N10 | H10 | 86.7° | 175.9° |
| C27 | C26 | H261 | H262 | 119.9° | 121.8° |
| C26 | C27 | H271 | H272 | 120.0° | 122.5° |
| C26 | C27 | H271 | H273 | 120.0° | 120.3° |
| C26 | C27 | H272 | H273 | 120.0° | 120.4° |
| N1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | N1 | O3 | C4 | 0.2° | 0.0° |
| C3 | C4 | C6 | O3 | 178.6° | 179.9° |
| C3 | C4 | C6 | C11 | 52.7° | 90.0° |
| C3 | C4 | C6 | C15 | 129.1° | 90.1° |
| C3 | C4 | O3 | N1 | 0.5° | 0.0° |
| C4 | C6 | C11 | C15 | 178.3° | 180.0° |
| C4 | C6 | C11 | C12 | 179.6° | 179.9° |
| C4 | C6 | C15 | C14 | 177.9° | 179.9° |
| C4 | C6 | C15 | O23 | 2.5° | 0.1° |
| C6 | C4 | O3 | N1 | 179.3° | 180.0° |
| C4 | C6 | C11 | H11 | 0.4° | 0.0° |
| C6 | C11 | C12 | H11 | 180.0° | 179.9° |
| C6 | C11 | C12 | CL25 | 179.8° | 180.0° |
| C6 | C11 | C12 | C13 | 1.0° | 0.1° |
| C11 | C6 | C15 | C14 | 3.8° | 0.0° |
| C11 | C6 | C15 | O23 | 179.3° | 180.0° |
| C11 | C6 | C4 | O3 | 128.7° | 89.9° |
| C11 | C12 | CL25 | C13 | 178.8° | 179.9° |
| C11 | C12 | C13 | O24 | 178.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.6° | 0.1° |
| C12 | C11 | C6 | C15 | 2.1° | 0.0° |
| CL25 | C12 | C13 | O24 | 3.1° | 0.0° |
| CL25 | C12 | C13 | C14 | 179.5° | 180.0° |
| CL25 | C12 | C11 | H11 | 0.1° | 0.1° |
| C12 | C13 | O24 | C14 | 176.5° | 180.0° |
| C12 | C13 | C14 | C15 | 3.3° | 0.1° |
| C13 | C12 | C11 | H11 | 179.0° | 180.0° |
| C12 | C13 | O24 | H24 | 84.7° | 76.8° |
| C12 | C13 | C14 | H14 | 176.7° | 179.9° |
| O24 | C13 | C14 | C15 | 179.8° | 179.9° |
| O24 | C13 | C14 | H14 | 0.2° | 0.1° |
| C13 | C14 | C15 | C6 | 4.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | O23 | 180.0° | 179.9° |
| C14 | C13 | O24 | H24 | 98.8° | 103.3° |
| C6 | C15 | C14 | O23 | 175.6° | 180.0° |
| C15 | C6 | C4 | O3 | 49.5° | 90.0° |
| C15 | C6 | C11 | H11 | 177.9° | 180.0° |
| C6 | C15 | C14 | H14 | 175.6° | 179.9° |
| C6 | C15 | O23 | H23 | 32.7° | 19.3° |
| C14 | C15 | O23 | H23 | 151.7° | 160.7° |
| O23 | C15 | C14 | H14 | 0.0° | 0.1° |
| H221 | C22 | H222 | H223 | 120.0° | 120.2° |
| H19 | C19 | C20 | H20 | 1.2° | 0.0° |
| H17 | C17 | C16 | H16 | 1.4° | 0.1° |
| H10 | N10 | C26 | H261 | 33.3° | 54.7° |
| H10 | N10 | C26 | H262 | 153.5° | 62.6° |
| H261 | C26 | C27 | H271 | 176.3° | 179.0° |
| H261 | C26 | C27 | H272 | 56.4° | 59.5° |
| H261 | C26 | C27 | H273 | 63.7° | 59.8° |
| H262 | C26 | C27 | H271 | 63.5° | 58.4° |
| H262 | C26 | C27 | H272 | 176.5° | 179.9° |
| H262 | C26 | C27 | H273 | 56.5° | 60.8° |
| H271 | C27 | H272 | H273 | 120.0° | 117.1° |
