LT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.63Å | |
| C10 | C02 | sing | 1.51Å | 1.60Å | |
| C10 | N21 | sing | 1.47Å | 1.55Å | |
| C13 | C12 | doub | 1.34Å | 1.37Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.41Å | Aromatic |
| C15 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | N14 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C12 | sing | 1.46Å | 1.47Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.47Å | |
| C19 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.21Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| N03 | C04 | sing | 1.46Å | 1.58Å | |
| C04 | C07 | sing | 1.51Å | 1.64Å | |
| C05 | O06 | sing | 1.43Å | 1.48Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| C07 | O09 | sing | 1.34Å | 1.25Å | |
| C04 | C05 | sing | 1.53Å | 1.70Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| N14 | H7 | sing | 0.97Å | 1.00Å | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| O06 | H12 | sing | 0.97Å | 0.95Å | |
| O09 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| N21 | H16 | sing | 1.01Å | 1.00Å | |
| N21 | H17 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C02 | 116.5° | 109.5° |
| C11 | C10 | N21 | 111.6° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.4° |
| C11 | C10 | H1 | 106.2° | 109.5° |
| C10 | C11 | H5 | 108.8° | 109.5° |
| C10 | C11 | H6 | 108.8° | 109.4° |
| C02 | C10 | N21 | 108.5° | 109.4° |
| C10 | C02 | O01 | 113.6° | 120.0° |
| C10 | C02 | N03 | 126.4° | 120.0° |
| C02 | C10 | H1 | 106.5° | 109.4° |
| N21 | C10 | H1 | 107.0° | 109.5° |
| C10 | N21 | H16 | 109.5° | 111.0° |
| C10 | N21 | H17 | 109.5° | 111.0° |
| C12 | C13 | N14 | 109.7° | 109.9° |
| C13 | C12 | C20 | 107.5° | 107.0° |
| C13 | C12 | C11 | 127.2° | 126.5° |
| C12 | C13 | H2 | 125.1° | 125.0° |
| C13 | N14 | C15 | 108.1° | 109.9° |
| N14 | C13 | H2 | 125.2° | 125.1° |
| C13 | N14 | H7 | 126.0° | 125.1° |
| C20 | C15 | N14 | 107.0° | 107.1° |
| C20 | C15 | C16 | 121.4° | 119.3° |
| C15 | C20 | C12 | 107.6° | 106.0° |
| C15 | C20 | C19 | 116.1° | 119.9° |
| N14 | C15 | C16 | 131.5° | 133.5° |
| C15 | N14 | H7 | 125.9° | 125.0° |
| C15 | C16 | C17 | 119.7° | 119.8° |
| C15 | C16 | H14 | 120.2° | 120.1° |
| C16 | C17 | C18 | 120.0° | 120.6° |
| C16 | C17 | H3 | 120.0° | 119.7° |
| C17 | C16 | H14 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.5° | 120.5° |
| C18 | C17 | H3 | 120.0° | 119.7° |
| C17 | C18 | H15 | 120.2° | 119.7° |
| C12 | C20 | C19 | 136.4° | 134.1° |
| C20 | C12 | C11 | 125.1° | 126.5° |
| C20 | C19 | C18 | 123.4° | 119.8° |
| C20 | C19 | H4 | 118.3° | 120.1° |
| C12 | C11 | H5 | 108.8° | 109.5° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C18 | C19 | H4 | 118.3° | 120.1° |
| C19 | C18 | H15 | 120.3° | 119.8° |
| O01 | C02 | N03 | 119.9° | 120.0° |
| C02 | N03 | C04 | 131.4° | 120.0° |
| C02 | N03 | H8 | 114.3° | 120.0° |
| N03 | C04 | C07 | 103.1° | 109.5° |
| N03 | C04 | C05 | 118.9° | 109.5° |
| C04 | N03 | H8 | 114.3° | 120.0° |
| N03 | C04 | H9 | 108.1° | 109.4° |
| C04 | C07 | O08 | 116.3° | 119.9° |
| C04 | C07 | O09 | 118.0° | 120.0° |
| C07 | C04 | C05 | 111.7° | 109.5° |
| C07 | C04 | H9 | 107.5° | 109.4° |
| O06 | C05 | C04 | 115.4° | 109.5° |
| O06 | C05 | H10 | 108.0° | 109.5° |
| O06 | C05 | H11 | 108.0° | 109.5° |
| C05 | O06 | H12 | 109.5° | 114.0° |
| O08 | C07 | O09 | 125.6° | 120.0° |
| C07 | O09 | H13 | 109.5° | 117.0° |
| C05 | C04 | H9 | 106.9° | 109.5° |
| C04 | C05 | H10 | 108.0° | 109.5° |
| C04 | C05 | H11 | 108.0° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H16 | N21 | H17 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C02 | N21 | 126.9° | 120.0° |
| C11 | C10 | C02 | H1 | 118.2° | 120.0° |
| C11 | C10 | N21 | H1 | 115.7° | 120.1° |
| C10 | C11 | C12 | C13 | 117.9° | 95.0° |
| C10 | C11 | C12 | C20 | 56.2° | 85.0° |
| C10 | C11 | C12 | H5 | 120.4° | 120.0° |
| C10 | C11 | C12 | H6 | 120.4° | 119.9° |
| C11 | C10 | C02 | O01 | 58.3° | 99.9° |
| C11 | C10 | C02 | N03 | 123.6° | 79.9° |
| C10 | C11 | H5 | H6 | 118.8° | 120.0° |
| C11 | C10 | N21 | H16 | 180.0° | 60.0° |
| C11 | C10 | N21 | H17 | 60.0° | 176.1° |
| C02 | C10 | N21 | H1 | 114.6° | 119.9° |
| C02 | C10 | C11 | C12 | 156.9° | 175.0° |
| C10 | C02 | O01 | N03 | 178.2° | 179.9° |
| C10 | C02 | N03 | C04 | 1.1° | 180.0° |
| C02 | C10 | C11 | H5 | 82.7° | 55.0° |
| C02 | C10 | C11 | H6 | 36.5° | 65.0° |
| C10 | C02 | N03 | H8 | 178.9° | 0.1° |
| C02 | C10 | N21 | H16 | 50.3° | 60.1° |
| C02 | C10 | N21 | H17 | 170.3° | 63.9° |
| N21 | C10 | C11 | C12 | 31.6° | 65.0° |
| N21 | C10 | C02 | O01 | 68.6° | 20.1° |
| N21 | C10 | C02 | N03 | 109.5° | 160.0° |
| N21 | C10 | C11 | H5 | 152.0° | 175.0° |
| N21 | C10 | C11 | H6 | 88.8° | 54.9° |
| C10 | N21 | H16 | H17 | 120.0° | 124.0° |
| C12 | C13 | N14 | H2 | 180.0° | 179.7° |
| C13 | C12 | C20 | C15 | 1.2° | 0.0° |
| C12 | C13 | N14 | C15 | 1.4° | 0.1° |
| C13 | C12 | C20 | C11 | 175.1° | 180.0° |
| C13 | C12 | C20 | C19 | 179.6° | 180.0° |
| C13 | C12 | C11 | H5 | 121.7° | 145.0° |
| C13 | C12 | C11 | H6 | 2.5° | 25.0° |
| C12 | C13 | N14 | H7 | 178.7° | 180.0° |
| C13 | N14 | C15 | C20 | 0.6° | 0.0° |
| C13 | N14 | C15 | H7 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 179.0° | 180.0° |
| N14 | C13 | C12 | C20 | 1.6° | 0.0° |
| N14 | C13 | C12 | C11 | 176.5° | 180.0° |
| C20 | C15 | N14 | C16 | 178.4° | 179.9° |
| C20 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C20 | C12 | C19 | 179.2° | 180.0° |
| C15 | C20 | C12 | C11 | 176.3° | 180.0° |
| C15 | C20 | C19 | C18 | 0.4° | 0.0° |
| C15 | C20 | C19 | H4 | 179.6° | 180.0° |
| C20 | C15 | N14 | H7 | 179.4° | 180.0° |
| C20 | C15 | C16 | H14 | 179.3° | 179.9° |
| N14 | C15 | C16 | C17 | 178.9° | 179.9° |
| N14 | C15 | C20 | C12 | 0.4° | 0.0° |
| N14 | C15 | C20 | C19 | 179.7° | 180.0° |
| C15 | N14 | C13 | H2 | 178.7° | 179.7° |
| N14 | C15 | C16 | H14 | 1.1° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.1° |
| C16 | C15 | C20 | C12 | 178.2° | 180.0° |
| C16 | C15 | C20 | C19 | 1.1° | 0.0° |
| C15 | C16 | C17 | H3 | 179.5° | 180.0° |
| C16 | C15 | N14 | H7 | 1.1° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.3° | 0.1° |
| C16 | C17 | C18 | H15 | 178.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C17 | C18 | C19 | H15 | 180.0° | 179.9° |
| C17 | C18 | C19 | H4 | 179.2° | 179.9° |
| C18 | C17 | C16 | H14 | 179.5° | 180.0° |
| C12 | C20 | C19 | C18 | 178.7° | 180.0° |
| C20 | C12 | C13 | H2 | 178.5° | 179.7° |
| C12 | C20 | C19 | H4 | 1.3° | 0.0° |
| C20 | C12 | C11 | H5 | 64.2° | 35.0° |
| C20 | C12 | C11 | H6 | 176.6° | 155.1° |
| C19 | C20 | C12 | C11 | 4.6° | 0.0° |
| C20 | C19 | C18 | H4 | 180.0° | 180.0° |
| C20 | C19 | C18 | H15 | 179.2° | 180.0° |
| C12 | C11 | C10 | H1 | 84.7° | 55.0° |
| C11 | C12 | C13 | H2 | 3.5° | 0.3° |
| C12 | C11 | H5 | H6 | 118.8° | 120.0° |
| C19 | C18 | C17 | H3 | 178.8° | 180.0° |
| O01 | C02 | N03 | C04 | 179.0° | 0.1° |
| O01 | C02 | C10 | H1 | 176.5° | 140.0° |
| O01 | C02 | N03 | H8 | 1.0° | 179.9° |
| C02 | N03 | C04 | H8 | 180.0° | 179.9° |
| C02 | N03 | C04 | C07 | 157.9° | 84.9° |
| C02 | N03 | C04 | C05 | 33.6° | 155.0° |
| N03 | C02 | C10 | H1 | 5.4° | 40.1° |
| C02 | N03 | C04 | H9 | 88.4° | 35.1° |
| N03 | C04 | C07 | C05 | 128.9° | 120.1° |
| N03 | C04 | C07 | H9 | 114.2° | 120.0° |
| N03 | C04 | C05 | O06 | 128.0° | 65.0° |
| N03 | C04 | C07 | O08 | 86.4° | 0.0° |
| N03 | C04 | C07 | O09 | 90.3° | 180.0° |
| N03 | C04 | C05 | H9 | 122.6° | 120.0° |
| N03 | C04 | C05 | H10 | 111.2° | 175.0° |
| N03 | C04 | C05 | H11 | 7.1° | 55.0° |
| C07 | C04 | C05 | O06 | 112.1° | 55.1° |
| C04 | C07 | O08 | O09 | 176.3° | 180.0° |
| C07 | C04 | C05 | H9 | 117.4° | 119.9° |
| C07 | C04 | N03 | H8 | 22.1° | 95.0° |
| C07 | C04 | C05 | H10 | 8.8° | 65.0° |
| C07 | C04 | C05 | H11 | 127.1° | 175.1° |
| C04 | C07 | O09 | H13 | 176.3° | 180.0° |
| O06 | C05 | C04 | H10 | 120.9° | 120.0° |
| O06 | C05 | C04 | H11 | 120.9° | 120.0° |
| O06 | C05 | C04 | H9 | 5.3° | 175.0° |
| O06 | C05 | H10 | H11 | 117.3° | 120.0° |
| O08 | C07 | C04 | C05 | 144.8° | 120.0° |
| O08 | C07 | C04 | H9 | 27.8° | 120.0° |
| O08 | C07 | O09 | H13 | 0.0° | 0.0° |
| O09 | C07 | C04 | C05 | 38.6° | 60.0° |
| O09 | C07 | C04 | H9 | 155.6° | 60.0° |
| C05 | C04 | N03 | H8 | 146.4° | 25.0° |
| C04 | C05 | H10 | H11 | 117.3° | 120.0° |
| C04 | C05 | O06 | H12 | 180.0° | 180.0° |
| H1 | C10 | C11 | H5 | 35.7° | 65.0° |
| H1 | C10 | C11 | H6 | 154.9° | 175.0° |
| H1 | C10 | N21 | H16 | 64.2° | 180.0° |
| H1 | C10 | N21 | H17 | 55.7° | 56.0° |
| H2 | C13 | N14 | H7 | 1.3° | 0.3° |
| H3 | C17 | C16 | H14 | 0.5° | 0.1° |
| H3 | C17 | C18 | H15 | 1.2° | 0.0° |
| H4 | C19 | C18 | H15 | 0.8° | 0.0° |
| H8 | N03 | C04 | H9 | 91.6° | 145.0° |
| H9 | C04 | C05 | H10 | 126.2° | 55.0° |
| H9 | C04 | C05 | H11 | 115.5° | 65.0° |
| H10 | C05 | O06 | H12 | 59.1° | 60.0° |
| H11 | C05 | O06 | H12 | 59.1° | 60.0° |
