L6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C01 | C06 | sing | 1.51Å | 1.55Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C06 | C05 | doub | 1.35Å | 1.36Å | |
| C06 | C10 | sing | 1.40Å | 1.43Å | |
| C05 | N07 | sing | 1.36Å | 1.36Å | |
| C10 | C09 | doub | 1.39Å | 1.39Å | |
| N07 | C08 | sing | 1.34Å | 1.32Å | |
| C09 | C08 | sing | 1.42Å | 1.39Å | |
| C09 | C11 | sing | 1.47Å | 1.52Å | |
| C08 | O19 | doub | 1.22Å | 1.40Å | |
| O20 | C11 | doub | 1.22Å | 1.18Å | |
| C11 | N12 | sing | 1.35Å | 1.45Å | |
| N12 | C13 | sing | 1.39Å | 1.46Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| O21 | C16 | doub | 1.21Å | 1.19Å | |
| C16 | O17 | sing | 1.34Å | 1.40Å | |
| O17 | C18 | sing | 1.45Å | 1.39Å | |
| C13 | C14 | doub | 1.32Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 111.4° | 108.2° |
| C02 | C03 | C04 | 112.6° | 108.2° |
| C03 | C02 | H3 | 109.0° | 109.7° |
| C03 | C02 | H4 | 109.0° | 109.7° |
| C02 | C03 | H5 | 108.7° | 109.7° |
| C02 | C03 | H6 | 108.7° | 109.7° |
| C02 | C01 | C06 | 112.4° | 110.7° |
| C02 | C01 | H1 | 108.7° | 109.2° |
| C02 | C01 | H2 | 108.7° | 109.2° |
| C01 | C02 | H3 | 109.0° | 109.7° |
| C01 | C02 | H4 | 109.0° | 109.7° |
| C03 | C04 | C05 | 114.7° | 110.7° |
| C04 | C03 | H5 | 108.7° | 109.7° |
| C04 | C03 | H6 | 108.7° | 109.7° |
| C03 | C04 | H7 | 108.1° | 109.2° |
| C03 | C04 | H8 | 108.1° | 109.3° |
| C01 | C06 | C05 | 122.1° | 123.0° |
| C01 | C06 | C10 | 118.5° | 117.1° |
| C06 | C01 | H1 | 108.7° | 109.2° |
| C06 | C01 | H2 | 108.7° | 109.2° |
| C04 | C05 | C06 | 122.5° | 122.6° |
| C04 | C05 | N07 | 117.1° | 116.9° |
| C05 | C04 | H7 | 108.2° | 109.2° |
| C05 | C04 | H8 | 108.1° | 109.2° |
| C05 | C06 | C10 | 119.3° | 119.9° |
| C06 | C05 | N07 | 120.4° | 120.5° |
| C06 | C10 | C09 | 118.5° | 119.7° |
| C06 | C10 | H10 | 120.7° | 120.1° |
| C05 | N07 | C08 | 121.9° | 121.9° |
| C05 | N07 | H9 | 119.1° | 119.0° |
| C10 | C09 | C08 | 118.8° | 118.5° |
| C10 | C09 | C11 | 120.4° | 120.8° |
| C09 | C10 | H10 | 120.8° | 120.2° |
| N07 | C08 | C09 | 121.0° | 119.5° |
| N07 | C08 | O19 | 119.2° | 120.2° |
| C08 | N07 | H9 | 119.0° | 119.0° |
| C08 | C09 | C11 | 120.7° | 120.8° |
| C09 | C08 | O19 | 119.8° | 120.2° |
| C09 | C11 | O20 | 120.0° | 120.0° |
| C09 | C11 | N12 | 120.5° | 120.0° |
| O20 | C11 | N12 | 119.5° | 120.0° |
| C11 | N12 | C13 | 119.4° | 120.0° |
| C11 | N12 | H20 | 120.3° | 119.9° |
| N12 | C13 | C14 | 110.4° | 120.0° |
| N12 | C13 | H11 | 124.8° | 120.0° |
| C13 | N12 | H20 | 120.3° | 120.1° |
| C16 | C15 | C14 | 112.4° | 109.4° |
| C15 | C16 | O21 | 119.2° | 120.0° |
| C15 | C16 | O17 | 120.5° | 120.0° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H16 | 108.7° | 109.5° |
| C15 | C14 | C13 | 111.3° | 120.0° |
| C15 | C14 | H13 | 124.4° | 120.0° |
| C14 | C15 | H15 | 108.7° | 109.5° |
| C14 | C15 | H16 | 108.7° | 109.5° |
| O21 | C16 | O17 | 120.3° | 120.0° |
| C16 | O17 | C18 | 113.9° | 117.0° |
| O17 | C18 | H17 | 109.5° | 109.5° |
| O17 | C18 | H18 | 109.4° | 109.5° |
| O17 | C18 | H19 | 109.5° | 109.5° |
| C14 | C13 | H11 | 124.8° | 120.0° |
| C13 | C14 | H13 | 124.4° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.3° |
| H3 | C02 | H4 | 109.5° | 109.8° |
| H5 | C03 | H6 | 109.5° | 109.8° |
| H7 | C04 | H8 | 109.5° | 109.2° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H3 | 120.3° | 119.6° |
| C03 | C02 | C01 | H4 | 120.3° | 119.7° |
| C02 | C03 | C04 | H5 | 120.5° | 119.7° |
| C02 | C03 | C04 | H6 | 120.5° | 119.7° |
| C03 | C02 | C01 | C06 | 47.3° | 50.7° |
| C02 | C03 | C04 | C05 | 36.9° | 51.1° |
| C03 | C02 | C01 | H1 | 167.7° | 171.0° |
| C03 | C02 | C01 | H2 | 73.1° | 69.6° |
| C03 | C02 | H3 | H4 | 119.1° | 120.6° |
| C02 | C03 | H5 | H6 | 118.6° | 120.7° |
| C02 | C03 | C04 | H7 | 157.7° | 171.3° |
| C02 | C03 | C04 | H8 | 83.9° | 69.3° |
| C01 | C02 | C03 | C04 | 56.9° | 69.3° |
| C02 | C01 | C06 | H1 | 120.4° | 120.3° |
| C02 | C01 | C06 | H2 | 120.4° | 120.2° |
| C02 | C01 | C06 | C05 | 19.8° | 17.6° |
| C02 | C01 | C06 | C10 | 160.2° | 162.6° |
| C02 | C01 | H1 | H2 | 118.7° | 119.4° |
| C01 | C02 | H3 | H4 | 119.1° | 120.6° |
| C01 | C02 | C03 | H5 | 63.6° | 50.4° |
| C01 | C02 | C03 | H6 | 177.3° | 171.1° |
| C03 | C04 | C05 | H7 | 120.8° | 120.3° |
| C03 | C04 | C05 | H8 | 120.8° | 120.4° |
| C03 | C04 | C05 | C06 | 8.7° | 18.0° |
| C03 | C04 | C05 | N07 | 171.4° | 162.2° |
| C04 | C03 | C02 | H3 | 63.5° | 171.0° |
| C04 | C03 | C02 | H4 | 177.2° | 50.4° |
| C04 | C03 | H5 | H6 | 118.6° | 120.6° |
| C03 | C04 | H7 | H8 | 117.6° | 119.4° |
| C01 | C06 | C05 | C04 | 0.1° | 0.7° |
| C01 | C06 | C05 | C10 | 179.9° | 179.9° |
| C01 | C06 | C05 | N07 | 180.0° | 179.5° |
| C01 | C06 | C10 | C09 | 179.8° | 179.8° |
| C06 | C01 | H1 | H2 | 118.6° | 119.4° |
| C06 | C01 | C02 | H3 | 73.0° | 170.3° |
| C06 | C01 | C02 | H4 | 167.6° | 69.0° |
| C01 | C06 | C10 | H10 | 0.2° | 0.3° |
| C04 | C05 | C06 | N07 | 179.9° | 179.8° |
| C04 | C05 | C06 | C10 | 179.9° | 179.4° |
| C04 | C05 | N07 | C08 | 179.9° | 179.5° |
| C05 | C04 | C03 | H5 | 83.6° | 68.6° |
| C05 | C04 | C03 | H6 | 157.4° | 170.8° |
| C05 | C04 | H7 | H8 | 117.6° | 119.4° |
| C04 | C05 | N07 | H9 | 0.1° | 0.7° |
| C05 | C06 | C10 | C09 | 0.3° | 0.1° |
| C06 | C05 | N07 | C08 | 0.0° | 0.4° |
| C05 | C06 | C01 | H1 | 140.2° | 137.9° |
| C05 | C06 | C01 | H2 | 100.7° | 102.7° |
| C06 | C05 | C04 | H7 | 129.4° | 138.2° |
| C06 | C05 | C04 | H8 | 112.1° | 102.4° |
| C05 | C06 | C10 | H10 | 179.8° | 179.8° |
| C06 | C05 | N07 | H9 | 179.9° | 179.5° |
| C10 | C06 | C05 | N07 | 0.0° | 0.4° |
| C06 | C10 | C09 | H10 | 180.0° | 179.9° |
| C06 | C10 | C09 | C08 | 0.5° | 0.2° |
| C06 | C10 | C09 | C11 | 179.6° | 179.8° |
| C10 | C06 | C01 | H1 | 39.7° | 42.2° |
| C10 | C06 | C01 | H2 | 79.4° | 77.2° |
| C05 | N07 | C08 | H9 | 180.0° | 179.9° |
| C05 | N07 | C08 | C09 | 0.3° | 0.0° |
| C05 | N07 | C08 | O19 | 179.9° | 179.9° |
| N07 | C05 | C04 | H7 | 50.6° | 41.9° |
| N07 | C05 | C04 | H8 | 67.8° | 77.4° |
| C10 | C09 | C08 | N07 | 0.5° | 0.3° |
| C10 | C09 | C08 | C11 | 179.1° | 179.9° |
| C10 | C09 | C08 | O19 | 179.9° | 179.9° |
| C10 | C09 | C11 | O20 | 0.3° | 5.9° |
| C10 | C09 | C11 | N12 | 179.7° | 174.1° |
| N07 | C08 | C09 | O19 | 179.7° | 179.9° |
| N07 | C08 | C09 | C11 | 179.6° | 179.8° |
| C08 | C09 | C11 | O20 | 178.9° | 174.2° |
| C08 | C09 | C11 | N12 | 1.1° | 5.9° |
| C08 | C09 | C10 | H10 | 179.6° | 179.9° |
| C09 | C08 | N07 | H9 | 179.7° | 179.9° |
| C11 | C09 | C08 | O19 | 0.7° | 0.1° |
| C09 | C11 | O20 | N12 | 180.0° | 180.0° |
| C09 | C11 | N12 | C13 | 179.8° | 175.1° |
| C11 | C09 | C10 | H10 | 0.4° | 0.0° |
| C09 | C11 | N12 | H20 | 0.3° | 5.0° |
| O19 | C08 | N07 | H9 | 0.1° | 0.3° |
| O20 | C11 | N12 | C13 | 0.2° | 4.9° |
| O20 | C11 | N12 | H20 | 179.7° | 175.1° |
| C11 | N12 | C13 | H20 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 102.5° | 175.2° |
| C11 | N12 | C13 | H11 | 77.5° | 4.8° |
| N12 | C13 | C14 | C15 | 74.0° | 5.9° |
| N12 | C13 | C14 | H11 | 180.0° | 179.9° |
| N12 | C13 | C14 | H13 | 106.1° | 174.1° |
| C16 | C15 | C14 | H15 | 120.4° | 120.0° |
| C16 | C15 | C14 | H16 | 120.4° | 120.0° |
| C15 | C16 | O21 | O17 | 180.0° | 180.0° |
| C15 | C16 | O17 | C18 | 103.6° | 180.0° |
| C16 | C15 | C14 | C13 | 164.1° | 125.9° |
| C16 | C15 | C14 | H13 | 16.0° | 54.2° |
| C16 | C15 | H15 | H16 | 118.6° | 120.0° |
| C14 | C15 | C16 | O21 | 56.7° | 0.0° |
| C14 | C15 | C16 | O17 | 123.3° | 180.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 106.0° | 174.1° |
| C14 | C15 | H15 | H16 | 118.7° | 120.0° |
| O21 | C16 | O17 | C18 | 76.4° | 0.0° |
| O21 | C16 | C15 | H15 | 63.7° | 120.0° |
| O21 | C16 | C15 | H16 | 177.1° | 120.0° |
| O17 | C16 | C15 | H15 | 116.3° | 60.0° |
| O17 | C16 | C15 | H16 | 2.9° | 60.0° |
| C16 | O17 | C18 | H17 | 180.0° | 60.0° |
| C16 | O17 | C18 | H18 | 60.0° | 60.0° |
| C16 | O17 | C18 | H19 | 60.0° | 180.0° |
| O17 | C18 | H17 | H18 | 120.0° | 120.0° |
| O17 | C18 | H17 | H19 | 120.0° | 120.0° |
| O17 | C18 | H18 | H19 | 120.0° | 120.0° |
| C13 | C14 | C15 | H15 | 43.6° | 114.1° |
| C13 | C14 | C15 | H16 | 75.5° | 5.9° |
| C14 | C13 | N12 | H20 | 77.5° | 4.8° |
| H1 | C01 | C02 | H3 | 47.5° | 69.4° |
| H1 | C01 | C02 | H4 | 72.0° | 51.3° |
| H2 | C01 | C02 | H3 | 166.6° | 50.1° |
| H2 | C01 | C02 | H4 | 47.2° | 170.7° |
| H3 | C02 | C03 | H5 | 176.1° | 69.3° |
| H3 | C02 | C03 | H6 | 57.0° | 51.4° |
| H4 | C02 | C03 | H5 | 56.7° | 170.1° |
| H4 | C02 | C03 | H6 | 62.3° | 69.2° |
| H5 | C03 | C04 | H7 | 37.2° | 51.7° |
| H5 | C03 | C04 | H8 | 155.6° | 171.1° |
| H6 | C03 | C04 | H7 | 81.9° | 69.0° |
| H6 | C03 | C04 | H8 | 36.6° | 50.4° |
| H11 | C13 | C14 | H13 | 73.9° | 5.9° |
| H11 | C13 | N12 | H20 | 102.5° | 175.2° |
| H13 | C14 | C15 | H15 | 136.4° | 65.9° |
| H13 | C14 | C15 | H16 | 104.5° | 174.1° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
