E6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O17 | sing | 1.45Å | 1.42Å | |
| O18 | C16 | doub | 1.21Å | 1.20Å | |
| O17 | C16 | sing | 1.34Å | 1.34Å | |
| C16 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| O1 | C3 | sing | 1.43Å | 1.37Å | |
| C3 | C4 | sing | 1.51Å | 1.58Å | |
| C4 | O5 | doub | 1.21Å | 1.18Å | |
| C4 | N6 | sing | 1.35Å | 1.33Å | |
| N6 | C7 | sing | 1.46Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.60Å | |
| C7 | C19 | sing | 1.53Å | 1.52Å | |
| O9 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | N10 | sing | 1.35Å | 1.40Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | sing | 1.53Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 49.13Å | |
| C24 | H30 | sing | 1.09Å | 0.00Å | |
| C24 | H31 | sing | 1.09Å | 0.00Å | |
| C24 | H32 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O17 | C16 | 116.1° | 116.9° |
| O17 | C23 | H28 | 111.8° | 109.5° |
| O17 | C23 | H29 | 111.8° | 109.5° |
| O17 | C23 | C24 | 99.9° | 109.4° |
| O18 | C16 | O17 | 123.9° | 120.0° |
| O18 | C16 | C2 | 122.1° | 120.0° |
| O17 | C16 | C2 | 113.9° | 120.0° |
| C16 | C2 | C3 | 107.7° | 109.5° |
| C16 | C2 | H26 | 109.9° | 109.4° |
| C16 | C2 | H27 | 109.9° | 109.5° |
| C2 | C3 | O1 | 109.6° | 109.5° |
| C2 | C3 | C4 | 114.3° | 109.5° |
| C2 | C3 | H24 | 105.6° | 109.5° |
| C3 | C2 | H26 | 109.9° | 109.5° |
| C3 | C2 | H27 | 109.9° | 109.5° |
| O1 | C3 | C4 | 113.5° | 109.5° |
| O1 | C3 | H24 | 107.7° | 109.4° |
| C3 | O1 | H25 | 109.5° | 114.0° |
| C3 | C4 | O5 | 118.7° | 120.0° |
| C3 | C4 | N6 | 120.7° | 120.0° |
| C4 | C3 | H24 | 105.4° | 109.5° |
| O5 | C4 | N6 | 120.6° | 120.0° |
| C4 | N6 | C7 | 120.5° | 120.0° |
| C4 | N6 | H23 | 119.7° | 120.0° |
| N6 | C7 | C8 | 114.0° | 109.4° |
| N6 | C7 | C19 | 113.9° | 109.5° |
| N6 | C7 | H13 | 102.5° | 109.5° |
| C7 | N6 | H23 | 119.8° | 120.0° |
| C8 | C7 | C19 | 119.2° | 109.5° |
| C7 | C8 | O9 | 118.8° | 120.0° |
| C7 | C8 | N10 | 120.1° | 120.0° |
| C8 | C7 | H13 | 101.7° | 109.5° |
| C7 | C19 | C20 | 121.6° | 109.5° |
| C19 | C7 | H13 | 102.3° | 109.5° |
| C7 | C19 | H14 | 106.4° | 109.4° |
| C7 | C19 | H15 | 106.4° | 109.5° |
| O9 | C8 | N10 | 121.0° | 120.0° |
| C8 | N10 | C11 | 131.4° | 120.0° |
| C8 | N10 | H12 | 114.3° | 120.0° |
| C19 | C20 | C22 | 111.2° | 109.5° |
| C19 | C20 | C21 | 106.4° | 109.4° |
| C20 | C19 | H14 | 106.4° | 109.4° |
| C20 | C19 | H15 | 106.4° | 109.5° |
| C19 | C20 | H16 | 110.8° | 109.5° |
| C22 | C20 | C21 | 107.2° | 109.4° |
| C22 | C20 | H16 | 110.6° | 109.5° |
| C20 | C22 | H17 | 109.5° | 109.5° |
| C20 | C22 | H18 | 109.5° | 109.5° |
| C20 | C22 | H19 | 109.4° | 109.4° |
| C21 | C20 | H16 | 110.4° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| N10 | C11 | C12 | 116.7° | 109.5° |
| N10 | C11 | H10 | 107.6° | 109.5° |
| N10 | C11 | H11 | 107.6° | 109.5° |
| C11 | N10 | H12 | 114.3° | 120.0° |
| C11 | C12 | C13 | 120.0° | 109.5° |
| C11 | C12 | H8 | 106.8° | 109.5° |
| C11 | C12 | H9 | 106.8° | 109.5° |
| C12 | C11 | H10 | 107.6° | 109.4° |
| C12 | C11 | H11 | 107.6° | 109.5° |
| C12 | C13 | C15 | 109.2° | 109.5° |
| C12 | C13 | C14 | 113.1° | 109.5° |
| C12 | C13 | H4 | 109.7° | 109.5° |
| C13 | C12 | H8 | 106.8° | 109.5° |
| C13 | C12 | H9 | 106.8° | 109.5° |
| C15 | C13 | C14 | 103.7° | 109.5° |
| C15 | C13 | H4 | 110.8° | 109.4° |
| C13 | C15 | H5 | 109.5° | 109.5° |
| C13 | C15 | H6 | 109.5° | 109.5° |
| C13 | C15 | H7 | 109.5° | 109.5° |
| C13 | C14 | H1 | 109.5° | 109.5° |
| C13 | C14 | H2 | 109.5° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.4° |
| C14 | C13 | H4 | 110.3° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H1 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.4° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H17 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H26 | C2 | H27 | 109.4° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.4° |
| H28 | C23 | C24 | 111.8° | 109.5° |
| H29 | C23 | C24 | 111.8° | 109.5° |
| C23 | C24 | H30 | 90.0° | 109.4° |
| C23 | C24 | H31 | 90.0° | 109.5° |
| C23 | C24 | H32 | 90.0° | 109.5° |
| H30 | C24 | H31 | 90.0° | 109.4° |
| H30 | C24 | H32 | 90.0° | 109.4° |
| H31 | C24 | H32 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O17 | C16 | O18 | 23.9° | 0.0° |
| C23 | O17 | C16 | C2 | 157.6° | 180.0° |
| O17 | C23 | H28 | H29 | 124.5° | 120.0° |
| O17 | C23 | H28 | C24 | 111.1° | 120.0° |
| O17 | C23 | H29 | C24 | 111.1° | 120.0° |
| O17 | C23 | C24 | H30 | 90.0° | 180.0° |
| O17 | C23 | C24 | H31 | 90.0° | 60.0° |
| O17 | C23 | C24 | H32 | 90.0° | 60.1° |
| O18 | C16 | O17 | C2 | 178.6° | 180.0° |
| O18 | C16 | C2 | C3 | 92.3° | 0.0° |
| O18 | C16 | C2 | H26 | 27.5° | 120.0° |
| O18 | C16 | C2 | H27 | 148.0° | 120.0° |
| O17 | C16 | C2 | C3 | 89.1° | 180.0° |
| O17 | C16 | C2 | H26 | 151.1° | 60.0° |
| O17 | C16 | C2 | H27 | 30.6° | 60.0° |
| C16 | O17 | C23 | H28 | 178.8° | 60.0° |
| C16 | O17 | C23 | H29 | 55.6° | 60.0° |
| C16 | O17 | C23 | C24 | 62.8° | 180.0° |
| C16 | C2 | C3 | H26 | 119.8° | 120.0° |
| C16 | C2 | C3 | H27 | 119.7° | 120.0° |
| C16 | C2 | C3 | O1 | 45.9° | 65.0° |
| C16 | C2 | C3 | C4 | 174.7° | 175.0° |
| C16 | C2 | C3 | H24 | 70.0° | 55.0° |
| C16 | C2 | H26 | H27 | 120.8° | 120.0° |
| C2 | C3 | O1 | C4 | 129.2° | 120.0° |
| C2 | C3 | O1 | H24 | 114.5° | 120.0° |
| C2 | C3 | C4 | H24 | 115.5° | 120.0° |
| C2 | C3 | C4 | O5 | 73.4° | 115.0° |
| C2 | C3 | C4 | N6 | 110.5° | 65.0° |
| C2 | C3 | O1 | H25 | 180.0° | 59.9° |
| C3 | C2 | H26 | H27 | 120.8° | 120.0° |
| O1 | C3 | C4 | H24 | 117.7° | 120.0° |
| O1 | C3 | C4 | O5 | 159.8° | 5.0° |
| O1 | C3 | C4 | N6 | 16.3° | 175.0° |
| O1 | C3 | C2 | H26 | 165.6° | 55.0° |
| O1 | C3 | C2 | H27 | 73.9° | 175.0° |
| C3 | C4 | O5 | N6 | 176.1° | 180.0° |
| C3 | C4 | N6 | C7 | 175.1° | 180.0° |
| C3 | C4 | N6 | H23 | 4.9° | 0.0° |
| C4 | C3 | O1 | H25 | 50.8° | 60.1° |
| C4 | C3 | C2 | H26 | 65.6° | 65.0° |
| C4 | C3 | C2 | H27 | 54.9° | 55.0° |
| O5 | C4 | N6 | C7 | 0.9° | 0.0° |
| O5 | C4 | N6 | H23 | 179.1° | 180.0° |
| O5 | C4 | C3 | H24 | 42.2° | 125.0° |
| C4 | N6 | C7 | H23 | 180.0° | 179.9° |
| C4 | N6 | C7 | C8 | 143.0° | 155.0° |
| C4 | N6 | C7 | C19 | 75.7° | 85.0° |
| C4 | N6 | C7 | H13 | 34.0° | 35.1° |
| N6 | C4 | C3 | H24 | 133.9° | 55.0° |
| N6 | C7 | C8 | C19 | 139.1° | 120.0° |
| N6 | C7 | C8 | H13 | 109.5° | 120.0° |
| N6 | C7 | C19 | H13 | 109.8° | 120.0° |
| N6 | C7 | C8 | O9 | 42.6° | 0.0° |
| N6 | C7 | C8 | N10 | 135.3° | 180.0° |
| N6 | C7 | C19 | C20 | 71.5° | 65.0° |
| N6 | C7 | C19 | H14 | 166.8° | 55.0° |
| N6 | C7 | C19 | H15 | 50.2° | 175.0° |
| C8 | C7 | C19 | H13 | 111.1° | 120.0° |
| C7 | C8 | O9 | N10 | 177.9° | 180.0° |
| C8 | C7 | C19 | C20 | 67.6° | 175.0° |
| C7 | C8 | N10 | C11 | 1.6° | 180.0° |
| C7 | C8 | N10 | H12 | 178.4° | 0.0° |
| C8 | C7 | C19 | H14 | 54.1° | 65.0° |
| C8 | C7 | C19 | H15 | 170.7° | 55.0° |
| C8 | C7 | N6 | H23 | 37.0° | 25.0° |
| C19 | C7 | C8 | O9 | 96.5° | 120.0° |
| C19 | C7 | C8 | N10 | 85.6° | 60.0° |
| C7 | C19 | C20 | H14 | 121.7° | 119.9° |
| C7 | C19 | C20 | H15 | 121.7° | 120.0° |
| C7 | C19 | C20 | C22 | 141.1° | 175.0° |
| C7 | C19 | C20 | C21 | 102.4° | 65.0° |
| C7 | C19 | H14 | H15 | 114.5° | 120.0° |
| C7 | C19 | C20 | H16 | 17.6° | 54.9° |
| C19 | C7 | N6 | H23 | 104.3° | 95.0° |
| O9 | C8 | N10 | C11 | 179.4° | 0.0° |
| O9 | C8 | N10 | H12 | 0.6° | 180.0° |
| O9 | C8 | C7 | H13 | 152.1° | 120.0° |
| C8 | N10 | C11 | H12 | 180.0° | 180.0° |
| C8 | N10 | C11 | C12 | 22.4° | 180.0° |
| C8 | N10 | C11 | H10 | 143.4° | 60.0° |
| C8 | N10 | C11 | H11 | 98.6° | 60.0° |
| N10 | C8 | C7 | H13 | 25.8° | 60.0° |
| C19 | C20 | C22 | C21 | 116.0° | 119.9° |
| C19 | C20 | C22 | H16 | 123.6° | 120.1° |
| C19 | C20 | C21 | H16 | 120.3° | 120.0° |
| C20 | C19 | C7 | H13 | 178.7° | 55.1° |
| C20 | C19 | H14 | H15 | 114.5° | 120.0° |
| C19 | C20 | C22 | H17 | 180.0° | 59.9° |
| C19 | C20 | C22 | H18 | 60.0° | 180.0° |
| C19 | C20 | C22 | H19 | 60.0° | 60.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 60.0° | 60.0° |
| C19 | C20 | C21 | H22 | 60.0° | 60.1° |
| C22 | C20 | C21 | H16 | 120.6° | 120.0° |
| C22 | C20 | C19 | H14 | 97.2° | 55.1° |
| C22 | C20 | C19 | H15 | 19.4° | 64.9° |
| C20 | C22 | H17 | H18 | 120.0° | 120.1° |
| C20 | C22 | H17 | H19 | 120.0° | 120.0° |
| C20 | C22 | H18 | H19 | 120.0° | 120.0° |
| C22 | C20 | C21 | H20 | 60.9° | 60.0° |
| C22 | C20 | C21 | H21 | 179.1° | 60.0° |
| C22 | C20 | C21 | H22 | 59.1° | 180.0° |
| C21 | C20 | C19 | H14 | 19.3° | 175.0° |
| C21 | C20 | C19 | H15 | 135.9° | 55.0° |
| C21 | C20 | C22 | H17 | 64.0° | 60.0° |
| C21 | C20 | C22 | H18 | 56.0° | 60.1° |
| C21 | C20 | C22 | H19 | 176.0° | 180.0° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| N10 | C11 | C12 | H10 | 121.0° | 120.0° |
| N10 | C11 | C12 | H11 | 121.0° | 120.0° |
| N10 | C11 | C12 | C13 | 80.0° | 180.0° |
| N10 | C11 | C12 | H8 | 158.5° | 60.0° |
| N10 | C11 | C12 | H9 | 41.4° | 60.0° |
| N10 | C11 | H10 | H11 | 116.7° | 120.0° |
| C11 | C12 | C13 | H8 | 121.5° | 120.0° |
| C11 | C12 | C13 | H9 | 121.5° | 120.0° |
| C11 | C12 | C13 | C15 | 43.3° | 175.0° |
| C11 | C12 | C13 | C14 | 71.6° | 65.0° |
| C11 | C12 | C13 | H4 | 164.8° | 55.0° |
| C11 | C12 | H8 | H9 | 115.2° | 120.0° |
| C12 | C11 | H10 | H11 | 116.7° | 120.0° |
| C12 | C11 | N10 | H12 | 157.6° | 0.0° |
| C12 | C13 | C15 | C14 | 120.8° | 120.0° |
| C12 | C13 | C15 | H4 | 120.9° | 120.0° |
| C12 | C13 | C14 | H4 | 123.2° | 120.0° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | H2 | 60.0° | 60.0° |
| C12 | C13 | C14 | H3 | 60.0° | 60.0° |
| C12 | C13 | C15 | H5 | 180.0° | 60.0° |
| C12 | C13 | C15 | H6 | 60.0° | 60.0° |
| C12 | C13 | C15 | H7 | 60.0° | 180.0° |
| C13 | C12 | H8 | H9 | 115.3° | 120.0° |
| C13 | C12 | C11 | H10 | 41.0° | 60.0° |
| C13 | C12 | C11 | H11 | 158.9° | 60.0° |
| C15 | C13 | C14 | H4 | 118.6° | 119.9° |
| C15 | C13 | C14 | H1 | 61.9° | 60.0° |
| C15 | C13 | C14 | H2 | 58.1° | 180.0° |
| C15 | C13 | C14 | H3 | 178.1° | 60.0° |
| C13 | C15 | H5 | H6 | 120.0° | 120.0° |
| C13 | C15 | H5 | H7 | 120.0° | 120.0° |
| C13 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C13 | C12 | H8 | 164.8° | 55.0° |
| C15 | C13 | C12 | H9 | 78.2° | 65.0° |
| C13 | C14 | H1 | H2 | 120.0° | 120.1° |
| C13 | C14 | H1 | H3 | 120.0° | 120.0° |
| C13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C14 | C13 | C15 | H5 | 59.2° | 60.0° |
| C14 | C13 | C15 | H6 | 179.2° | 179.9° |
| C14 | C13 | C15 | H7 | 60.8° | 60.0° |
| C14 | C13 | C12 | H8 | 49.9° | 175.0° |
| C14 | C13 | C12 | H9 | 166.9° | 55.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H1 | C14 | C13 | H4 | 56.8° | 60.0° |
| H2 | C14 | C13 | H4 | 176.8° | 60.1° |
| H3 | C14 | C13 | H4 | 63.2° | 179.9° |
| H4 | C13 | C15 | H5 | 59.1° | 180.0° |
| H4 | C13 | C15 | H6 | 60.9° | 60.0° |
| H4 | C13 | C15 | H7 | 179.1° | 59.9° |
| H4 | C13 | C12 | H8 | 73.7° | 65.0° |
| H4 | C13 | C12 | H9 | 43.4° | 175.1° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | C11 | H10 | 80.5° | 180.0° |
| H8 | C12 | C11 | H11 | 37.5° | 60.1° |
| H9 | C12 | C11 | H10 | 162.5° | 60.0° |
| H9 | C12 | C11 | H11 | 79.6° | 180.0° |
| H10 | C11 | N10 | H12 | 36.6° | 119.9° |
| H11 | C11 | N10 | H12 | 81.4° | 120.1° |
| H13 | C7 | C19 | H14 | 57.0° | 175.0° |
| H13 | C7 | C19 | H15 | 59.6° | 65.0° |
| H13 | C7 | N6 | H23 | 146.0° | 145.0° |
| H14 | C19 | C20 | H16 | 139.3° | 65.0° |
| H15 | C19 | C20 | H16 | 104.1° | 175.0° |
| H16 | C20 | C22 | H17 | 56.4° | 180.0° |
| H16 | C20 | C22 | H18 | 176.4° | 60.0° |
| H16 | C20 | C22 | H19 | 63.6° | 60.0° |
| H16 | C20 | C21 | H20 | 59.7° | 60.0° |
| H16 | C20 | C21 | H21 | 60.3° | 180.0° |
| H16 | C20 | C21 | H22 | 179.7° | 59.9° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C21 | H21 | H22 | 120.0° | 120.0° |
| H24 | C3 | O1 | H25 | 65.5° | 179.9° |
| H24 | C3 | C2 | H26 | 49.8° | 174.9° |
| H24 | C3 | C2 | H27 | 170.3° | 65.0° |
| H28 | C23 | H29 | C24 | 124.5° | 120.0° |
| H28 | C23 | C24 | H30 | 90.0° | 60.0° |
| H28 | C23 | C24 | H31 | 90.0° | 179.9° |
| H28 | C23 | C24 | H32 | 90.0° | 60.0° |
| H29 | C23 | C24 | H30 | 90.0° | 60.0° |
| H29 | C23 | C24 | H31 | 90.0° | 60.0° |
| H29 | C23 | C24 | H32 | 90.0° | 180.0° |
| C23 | C24 | H30 | H31 | 90.0° | 120.0° |
| C23 | C24 | H30 | H32 | 90.0° | 120.0° |
| C23 | C24 | H31 | H32 | 90.0° | 120.1° |
| H30 | C24 | H31 | H32 | 90.0° | 119.9° |
