L6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C01 | C06 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | doub | 1.35Å | 1.49Å | |
| C06 | C10 | sing | 1.40Å | 1.39Å | |
| C05 | N07 | sing | 1.36Å | 1.34Å | |
| C10 | C09 | doub | 1.39Å | 1.39Å | |
| N07 | C08 | sing | 1.34Å | 1.34Å | |
| C09 | C08 | sing | 1.42Å | 1.49Å | |
| C09 | C11 | sing | 1.47Å | 1.50Å | |
| C08 | O22 | doub | 1.22Å | 1.25Å | |
| O23 | C11 | doub | 1.22Å | 1.22Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| O17 | C18 | sing | 1.45Å | 1.43Å | |
| O17 | C16 | sing | 1.35Å | 1.45Å | |
| N12 | C13 | sing | 1.46Å | 1.45Å | |
| O25 | C19 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.47Å | 1.51Å | |
| C15 | C14 | doub | 1.33Å | 1.52Å | |
| C19 | N20 | sing | 1.35Å | 1.33Å | |
| C16 | O24 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C21 | N20 | sing | 1.46Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 109.8° | 108.2° |
| C02 | C03 | C04 | 111.1° | 108.3° |
| C03 | C02 | H12 | 109.4° | 109.7° |
| C03 | C02 | H13 | 109.4° | 109.7° |
| C02 | C03 | H14 | 109.1° | 109.7° |
| C02 | C03 | H15 | 109.0° | 109.7° |
| C02 | C01 | C06 | 110.2° | 110.8° |
| C02 | C01 | H10 | 109.3° | 109.3° |
| C02 | C01 | H11 | 109.3° | 109.2° |
| C01 | C02 | H12 | 109.4° | 109.7° |
| C01 | C02 | H13 | 109.4° | 109.7° |
| C03 | C04 | C05 | 111.7° | 110.7° |
| C04 | C03 | H14 | 109.1° | 109.7° |
| C04 | C03 | H15 | 109.1° | 109.7° |
| C03 | C04 | H16 | 108.9° | 109.3° |
| C03 | C04 | H17 | 108.9° | 109.2° |
| C01 | C06 | C05 | 121.2° | 122.9° |
| C01 | C06 | C10 | 119.1° | 117.3° |
| C06 | C01 | H10 | 109.3° | 109.2° |
| C06 | C01 | H11 | 109.3° | 109.2° |
| C04 | C05 | C06 | 121.1° | 122.6° |
| C04 | C05 | N07 | 119.2° | 116.9° |
| C05 | C04 | H16 | 108.9° | 109.2° |
| C05 | C04 | H17 | 108.9° | 109.2° |
| C05 | C06 | C10 | 119.7° | 119.8° |
| C06 | C05 | N07 | 119.8° | 120.5° |
| C06 | C10 | C09 | 119.3° | 119.7° |
| C06 | C10 | H1 | 120.3° | 120.1° |
| C05 | N07 | C08 | 121.8° | 121.9° |
| C05 | N07 | H6 | 119.1° | 119.0° |
| C10 | C09 | C08 | 118.9° | 118.5° |
| C10 | C09 | C11 | 119.4° | 120.8° |
| C09 | C10 | H1 | 120.3° | 120.2° |
| N07 | C08 | C09 | 120.6° | 119.5° |
| N07 | C08 | O22 | 119.5° | 120.2° |
| C08 | N07 | H6 | 119.1° | 119.0° |
| C08 | C09 | C11 | 121.7° | 120.7° |
| C09 | C08 | O22 | 120.0° | 120.2° |
| C09 | C11 | O23 | 118.7° | 119.9° |
| C09 | C11 | N12 | 120.0° | 120.1° |
| O23 | C11 | N12 | 121.2° | 120.0° |
| C11 | N12 | C13 | 121.0° | 120.0° |
| C11 | N12 | H2 | 119.5° | 120.0° |
| C18 | O17 | C16 | 121.7° | 117.0° |
| O17 | C18 | C19 | 109.9° | 109.5° |
| O17 | C18 | H21 | 109.4° | 109.5° |
| O17 | C18 | H22 | 109.4° | 109.4° |
| O17 | C16 | C15 | 118.6° | 120.0° |
| O17 | C16 | O24 | 119.7° | 120.0° |
| N12 | C13 | C14 | 112.3° | 109.5° |
| C13 | N12 | H2 | 119.5° | 120.0° |
| N12 | C13 | H3 | 108.8° | 109.5° |
| N12 | C13 | H4 | 108.7° | 109.5° |
| O25 | C19 | C18 | 120.5° | 120.0° |
| O25 | C19 | N20 | 122.7° | 120.0° |
| C18 | C19 | N20 | 116.8° | 120.0° |
| C19 | C18 | H21 | 109.4° | 109.5° |
| C19 | C18 | H22 | 109.4° | 109.5° |
| C16 | C15 | C14 | 112.4° | 120.0° |
| C15 | C16 | O24 | 121.6° | 120.0° |
| C16 | C15 | H5 | 123.8° | 120.0° |
| C15 | C14 | C13 | 109.6° | 120.0° |
| C14 | C15 | H5 | 123.8° | 120.0° |
| C15 | C14 | H19 | 125.2° | 120.0° |
| C19 | N20 | C21 | 121.8° | 120.0° |
| C19 | N20 | H23 | 119.1° | 120.0° |
| C14 | C13 | H3 | 108.8° | 109.5° |
| C14 | C13 | H4 | 108.8° | 109.4° |
| C13 | C14 | H19 | 125.2° | 120.0° |
| N20 | C21 | H7 | 109.5° | 109.5° |
| N20 | C21 | H8 | 109.5° | 109.5° |
| N20 | C21 | H9 | 109.5° | 109.5° |
| C21 | N20 | H23 | 119.1° | 120.0° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H7 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.2° |
| H12 | C02 | H13 | 109.5° | 109.7° |
| H14 | C03 | H15 | 109.5° | 109.7° |
| H16 | C04 | H17 | 109.5° | 109.2° |
| H21 | C18 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H12 | 120.1° | 119.7° |
| C03 | C02 | C01 | H13 | 120.0° | 119.7° |
| C02 | C03 | C04 | H14 | 120.2° | 119.7° |
| C02 | C03 | C04 | H15 | 120.2° | 119.7° |
| C03 | C02 | C01 | C06 | 53.8° | 50.6° |
| C02 | C03 | C04 | C05 | 45.9° | 51.1° |
| C03 | C02 | C01 | H10 | 173.9° | 171.0° |
| C03 | C02 | C01 | H11 | 66.3° | 69.7° |
| C03 | C02 | H12 | H13 | 119.8° | 120.6° |
| C02 | C03 | H14 | H15 | 119.2° | 120.6° |
| C02 | C03 | C04 | H16 | 166.2° | 171.3° |
| C02 | C03 | C04 | H17 | 74.5° | 69.3° |
| C01 | C02 | C03 | C04 | 69.2° | 69.2° |
| C02 | C01 | C06 | H10 | 120.1° | 120.4° |
| C02 | C01 | C06 | H11 | 120.1° | 120.3° |
| C02 | C01 | C06 | C05 | 20.9° | 17.6° |
| C02 | C01 | C06 | C10 | 159.6° | 162.5° |
| C02 | C01 | H10 | H11 | 119.6° | 119.4° |
| C01 | C02 | H12 | H13 | 119.8° | 120.6° |
| C01 | C02 | C03 | H14 | 51.0° | 50.5° |
| C01 | C02 | C03 | H15 | 170.6° | 171.1° |
| C03 | C04 | C05 | H16 | 120.3° | 120.3° |
| C03 | C04 | C05 | H17 | 120.3° | 120.3° |
| C03 | C04 | C05 | C06 | 12.7° | 17.9° |
| C03 | C04 | C05 | N07 | 167.8° | 162.2° |
| C04 | C03 | C02 | H12 | 50.9° | 171.0° |
| C04 | C03 | C02 | H13 | 170.7° | 50.4° |
| C04 | C03 | H14 | H15 | 119.3° | 120.6° |
| C03 | C04 | H16 | H17 | 119.0° | 119.4° |
| C01 | C06 | C05 | C04 | 0.5° | 0.7° |
| C01 | C06 | C05 | C10 | 179.5° | 179.9° |
| C01 | C06 | C05 | N07 | 179.9° | 179.5° |
| C01 | C06 | C10 | C09 | 179.9° | 179.8° |
| C01 | C06 | C10 | H1 | 0.1° | 0.5° |
| C06 | C01 | H10 | H11 | 119.7° | 119.3° |
| C06 | C01 | C02 | H12 | 66.3° | 170.4° |
| C06 | C01 | C02 | H13 | 173.8° | 69.0° |
| C04 | C05 | C06 | N07 | 179.5° | 179.8° |
| C04 | C05 | C06 | C10 | 180.0° | 179.3° |
| C04 | C05 | N07 | C08 | 179.9° | 179.7° |
| C05 | C04 | C03 | H14 | 74.4° | 68.6° |
| C05 | C04 | C03 | H15 | 166.1° | 170.8° |
| C05 | C04 | H16 | H17 | 119.0° | 119.4° |
| C04 | C05 | N07 | H6 | 0.1° | 0.6° |
| C05 | C06 | C10 | C09 | 0.4° | 0.2° |
| C06 | C05 | N07 | C08 | 0.4° | 0.2° |
| C05 | C06 | C10 | H1 | 179.6° | 179.6° |
| C05 | C06 | C01 | H10 | 141.0° | 138.0° |
| C05 | C06 | C01 | H11 | 99.2° | 102.7° |
| C06 | C05 | C04 | H16 | 133.0° | 138.3° |
| C06 | C05 | C04 | H17 | 107.6° | 102.4° |
| C06 | C05 | N07 | H6 | 179.6° | 179.6° |
| C10 | C06 | C05 | N07 | 0.5° | 0.5° |
| C06 | C10 | C09 | H1 | 180.0° | 179.7° |
| C06 | C10 | C09 | C08 | 0.1° | 0.4° |
| C06 | C10 | C09 | C11 | 179.6° | 179.6° |
| C10 | C06 | C01 | H10 | 39.5° | 42.1° |
| C10 | C06 | C01 | H11 | 80.3° | 77.2° |
| C05 | N07 | C08 | H6 | 180.0° | 179.8° |
| C05 | N07 | C08 | C09 | 0.1° | 0.4° |
| C05 | N07 | C08 | O22 | 179.6° | 180.0° |
| N07 | C05 | C04 | H16 | 47.5° | 41.9° |
| N07 | C05 | C04 | H17 | 71.8° | 77.5° |
| C10 | C09 | C08 | N07 | 0.1° | 0.7° |
| C10 | C09 | C08 | C11 | 179.7° | 180.0° |
| C10 | C09 | C08 | O22 | 179.8° | 179.7° |
| C10 | C09 | C11 | O23 | 7.6° | 5.8° |
| C10 | C09 | C11 | N12 | 171.8° | 174.2° |
| N07 | C08 | C09 | O22 | 179.7° | 179.6° |
| N07 | C08 | C09 | C11 | 179.8° | 179.3° |
| C08 | C09 | C11 | O23 | 172.1° | 174.2° |
| C08 | C09 | C11 | N12 | 8.5° | 5.8° |
| C08 | C09 | C10 | H1 | 179.9° | 179.9° |
| C09 | C08 | N07 | H6 | 179.9° | 179.8° |
| C11 | C09 | C08 | O22 | 0.5° | 0.3° |
| C09 | C11 | O23 | N12 | 179.4° | 180.0° |
| C09 | C11 | N12 | C13 | 174.5° | 174.9° |
| C11 | C09 | C10 | H1 | 0.4° | 0.1° |
| C09 | C11 | N12 | H2 | 5.5° | 5.1° |
| O22 | C08 | N07 | H6 | 0.4° | 0.3° |
| O23 | C11 | N12 | C13 | 6.1° | 5.1° |
| O23 | C11 | N12 | H2 | 173.9° | 174.9° |
| C11 | N12 | C13 | H2 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 107.8° | 180.0° |
| C11 | N12 | C13 | H3 | 131.8° | 60.0° |
| C11 | N12 | C13 | H4 | 12.6° | 60.0° |
| O17 | C18 | C19 | O25 | 26.3° | 0.1° |
| O17 | C18 | C19 | H21 | 120.1° | 120.1° |
| O17 | C18 | C19 | H22 | 120.1° | 119.9° |
| C18 | O17 | C16 | C15 | 142.1° | 179.9° |
| O17 | C18 | C19 | N20 | 153.7° | 180.0° |
| C18 | O17 | C16 | O24 | 39.4° | 0.1° |
| O17 | C18 | H21 | H22 | 119.8° | 119.9° |
| C16 | O17 | C18 | C19 | 76.9° | 180.0° |
| O17 | C16 | C15 | O24 | 178.4° | 180.0° |
| O17 | C16 | C15 | C14 | 153.0° | 180.0° |
| O17 | C16 | C15 | H5 | 27.0° | 0.0° |
| C16 | O17 | C18 | H21 | 163.0° | 59.9° |
| C16 | O17 | C18 | H22 | 43.1° | 60.1° |
| N12 | C13 | C14 | C15 | 47.0° | 125.0° |
| N12 | C13 | C14 | H3 | 120.4° | 120.0° |
| N12 | C13 | C14 | H4 | 120.4° | 120.0° |
| N12 | C13 | H3 | H4 | 118.7° | 120.0° |
| N12 | C13 | C14 | H19 | 133.0° | 55.0° |
| O25 | C19 | C18 | N20 | 180.0° | 179.9° |
| O25 | C19 | N20 | C21 | 139.1° | 0.0° |
| O25 | C19 | C18 | H21 | 93.7° | 120.0° |
| O25 | C19 | C18 | H22 | 146.4° | 120.0° |
| O25 | C19 | N20 | H23 | 40.9° | 180.0° |
| C18 | C19 | N20 | C21 | 40.9° | 180.0° |
| C19 | C18 | H21 | H22 | 119.8° | 120.0° |
| C18 | C19 | N20 | H23 | 139.1° | 0.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 165.0° | 180.0° |
| C16 | C15 | C14 | H19 | 15.0° | 0.1° |
| C14 | C15 | C16 | O24 | 28.6° | 0.1° |
| C15 | C14 | C13 | H19 | 180.0° | 179.9° |
| C15 | C14 | C13 | H3 | 167.4° | 5.0° |
| C15 | C14 | C13 | H4 | 73.4° | 115.0° |
| C19 | N20 | C21 | H23 | 180.0° | 180.0° |
| C19 | N20 | C21 | H7 | 180.0° | 60.0° |
| C19 | N20 | C21 | H8 | 60.0° | 60.0° |
| C19 | N20 | C21 | H9 | 60.0° | 180.0° |
| N20 | C19 | C18 | H21 | 86.3° | 60.0° |
| N20 | C19 | C18 | H22 | 33.6° | 60.1° |
| O24 | C16 | C15 | H5 | 151.4° | 180.0° |
| C14 | C13 | N12 | H2 | 72.2° | 0.0° |
| C14 | C13 | H3 | H4 | 118.7° | 119.9° |
| C13 | C14 | C15 | H5 | 15.0° | 0.1° |
| N20 | C21 | H7 | H8 | 120.0° | 120.0° |
| N20 | C21 | H7 | H9 | 120.0° | 120.0° |
| N20 | C21 | H8 | H9 | 120.0° | 120.1° |
| H2 | N12 | C13 | H3 | 48.2° | 120.0° |
| H2 | N12 | C13 | H4 | 167.4° | 120.0° |
| H3 | C13 | C14 | H19 | 12.6° | 175.0° |
| H4 | C13 | C14 | H19 | 106.6° | 65.0° |
| H5 | C15 | C14 | H19 | 165.1° | 180.0° |
| H7 | C21 | H8 | H9 | 120.0° | 119.9° |
| H7 | C21 | N20 | H23 | 0.0° | 120.0° |
| H8 | C21 | N20 | H23 | 120.0° | 120.0° |
| H9 | C21 | N20 | H23 | 120.0° | 0.0° |
| H10 | C01 | C02 | H12 | 53.9° | 69.3° |
| H10 | C01 | C02 | H13 | 66.0° | 51.3° |
| H11 | C01 | C02 | H12 | 173.6° | 50.1° |
| H11 | C01 | C02 | H13 | 53.7° | 170.7° |
| H12 | C02 | C03 | H14 | 171.1° | 69.2° |
| H12 | C02 | C03 | H15 | 69.4° | 51.4° |
| H13 | C02 | C03 | H14 | 69.0° | 170.1° |
| H13 | C02 | C03 | H15 | 50.5° | 69.3° |
| H14 | C03 | C04 | H16 | 45.9° | 51.6° |
| H14 | C03 | C04 | H17 | 165.3° | 171.0° |
| H15 | C03 | C04 | H16 | 73.6° | 69.0° |
| H15 | C03 | C04 | H17 | 45.7° | 50.4° |
