UZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N18 | sing | 1.47Å | 1.47Å | |
| N18 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| N15 | O16 | sing | 1.42Å | 1.40Å | |
| N15 | C14 | sing | 1.35Å | 1.43Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C13 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | O17 | doub | 1.21Å | 1.20Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | CL10 | sing | 1.74Å | 1.77Å | |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | CL07 | sing | 1.74Å | 1.78Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| O16 | H2 | sing | 0.97Å | 0.95Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| N18 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 112.5° | 109.5° |
| C23 | C22 | H16 | 108.7° | 109.5° |
| C23 | C22 | H17 | 108.7° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.4° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C22 | C21 | C20 | 109.0° | 109.5° |
| C22 | C21 | H14 | 109.6° | 109.5° |
| C22 | C21 | H15 | 109.6° | 109.5° |
| C21 | C22 | H16 | 108.7° | 109.5° |
| C21 | C22 | H17 | 108.7° | 109.5° |
| C21 | C20 | C19 | 115.9° | 109.5° |
| C21 | C20 | H12 | 107.8° | 109.5° |
| C21 | C20 | H13 | 107.8° | 109.5° |
| C20 | C21 | H14 | 109.6° | 109.5° |
| C20 | C21 | H15 | 109.6° | 109.5° |
| C20 | C19 | N18 | 107.8° | 109.5° |
| C20 | C19 | H10 | 109.9° | 109.5° |
| C20 | C19 | H11 | 109.9° | 109.5° |
| C19 | C20 | H12 | 107.8° | 109.5° |
| C19 | C20 | H13 | 107.9° | 109.5° |
| C19 | N18 | C02 | 118.2° | 120.0° |
| N18 | C19 | H10 | 109.9° | 109.5° |
| N18 | C19 | H11 | 109.9° | 109.5° |
| C19 | N18 | H22 | 120.9° | 120.0° |
| N18 | C02 | C03 | 119.8° | 120.0° |
| N18 | C02 | O01 | 116.9° | 120.0° |
| C02 | N18 | H22 | 120.9° | 120.0° |
| C03 | C02 | O01 | 123.4° | 120.0° |
| C02 | C03 | C04 | 112.7° | 109.4° |
| C02 | C03 | H3 | 108.7° | 109.5° |
| C02 | C03 | H4 | 108.6° | 109.5° |
| C03 | C04 | C13 | 110.3° | 109.5° |
| C03 | C04 | C05 | 110.2° | 109.5° |
| C04 | C03 | H3 | 108.7° | 109.5° |
| C04 | C03 | H4 | 108.6° | 109.4° |
| C03 | C04 | H5 | 109.3° | 109.4° |
| O16 | N15 | C14 | 110.7° | 120.0° |
| N15 | O16 | H2 | 109.5° | 114.0° |
| O16 | N15 | H21 | 124.6° | 120.0° |
| N15 | C14 | C13 | 118.1° | 120.0° |
| N15 | C14 | O17 | 119.8° | 120.0° |
| C14 | N15 | H21 | 124.7° | 120.0° |
| C11 | C12 | C05 | 118.3° | 120.0° |
| C12 | C11 | C09 | 119.7° | 120.0° |
| C12 | C11 | H1 | 120.1° | 120.0° |
| C11 | C12 | H7 | 120.8° | 120.0° |
| C12 | C05 | C04 | 119.3° | 120.0° |
| C12 | C05 | C06 | 121.0° | 120.0° |
| C05 | C12 | H7 | 120.9° | 120.0° |
| C11 | C09 | CL10 | 121.0° | 120.0° |
| C11 | C09 | C08 | 122.3° | 120.0° |
| C09 | C11 | H1 | 120.2° | 120.0° |
| C13 | C04 | C05 | 108.1° | 109.5° |
| C04 | C13 | C14 | 108.5° | 109.5° |
| C13 | C04 | H5 | 109.6° | 109.5° |
| C04 | C13 | H8 | 109.7° | 109.5° |
| C04 | C13 | H9 | 109.7° | 109.5° |
| C04 | C05 | C06 | 119.7° | 120.0° |
| C05 | C04 | H5 | 109.3° | 109.5° |
| C13 | C14 | O17 | 122.1° | 120.0° |
| C14 | C13 | H8 | 109.7° | 109.5° |
| C14 | C13 | H9 | 109.7° | 109.4° |
| C05 | C06 | C08 | 120.8° | 120.0° |
| C05 | C06 | CL07 | 121.4° | 120.0° |
| CL10 | C09 | C08 | 116.7° | 120.1° |
| C09 | C08 | C06 | 117.9° | 120.0° |
| C09 | C08 | H6 | 121.0° | 119.9° |
| C08 | C06 | CL07 | 117.8° | 120.0° |
| C06 | C08 | H6 | 121.1° | 120.1° |
| H3 | C03 | H4 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.4° |
| H18 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H16 | 120.5° | 120.0° |
| C23 | C22 | C21 | H17 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 60.8° | 180.0° |
| C23 | C22 | C21 | H14 | 59.1° | 60.0° |
| C23 | C22 | C21 | H15 | 179.2° | 60.0° |
| C23 | C22 | H16 | H17 | 118.6° | 120.0° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 120.1° |
| C22 | C21 | C20 | H14 | 119.9° | 120.0° |
| C22 | C21 | C20 | H15 | 119.9° | 120.0° |
| C22 | C21 | C20 | C19 | 162.4° | 180.0° |
| C22 | C21 | C20 | H12 | 41.5° | 60.0° |
| C22 | C21 | C20 | H13 | 76.6° | 60.0° |
| C22 | C21 | H14 | H15 | 120.2° | 120.0° |
| C21 | C22 | H16 | H17 | 118.6° | 120.0° |
| C21 | C22 | C23 | H18 | 180.0° | 60.0° |
| C21 | C22 | C23 | H19 | 60.0° | 59.9° |
| C21 | C22 | C23 | H20 | 60.0° | 180.0° |
| C21 | C20 | C19 | H12 | 120.9° | 120.0° |
| C21 | C20 | C19 | H13 | 120.9° | 120.0° |
| C21 | C20 | C19 | N18 | 160.6° | 180.0° |
| C21 | C20 | C19 | H10 | 40.8° | 60.0° |
| C21 | C20 | C19 | H11 | 79.7° | 60.0° |
| C21 | C20 | H12 | H13 | 117.0° | 120.0° |
| C20 | C21 | H14 | H15 | 120.2° | 120.0° |
| C20 | C21 | C22 | H16 | 178.7° | 60.0° |
| C20 | C21 | C22 | H17 | 59.6° | 60.0° |
| C20 | C19 | N18 | H10 | 119.8° | 120.0° |
| C20 | C19 | N18 | H11 | 119.8° | 120.0° |
| C20 | C19 | N18 | C02 | 179.8° | 180.0° |
| C20 | C19 | H10 | H11 | 120.8° | 120.0° |
| C19 | C20 | H12 | H13 | 117.1° | 120.0° |
| C19 | C20 | C21 | H14 | 77.6° | 60.0° |
| C19 | C20 | C21 | H15 | 42.5° | 60.0° |
| C20 | C19 | N18 | H22 | 0.2° | 0.0° |
| C19 | N18 | C02 | H22 | 180.0° | 179.9° |
| C19 | N18 | C02 | C03 | 178.7° | 180.0° |
| C19 | N18 | C02 | O01 | 0.7° | 0.0° |
| N18 | C19 | H10 | H11 | 120.7° | 120.0° |
| N18 | C19 | C20 | H12 | 78.5° | 60.0° |
| N18 | C19 | C20 | H13 | 39.7° | 60.0° |
| N18 | C02 | C03 | O01 | 179.3° | 180.0° |
| N18 | C02 | C03 | C04 | 119.9° | 173.8° |
| N18 | C02 | C03 | H3 | 0.6° | 66.2° |
| N18 | C02 | C03 | H4 | 119.6° | 53.9° |
| C02 | N18 | C19 | H10 | 60.4° | 60.0° |
| C02 | N18 | C19 | H11 | 60.1° | 60.0° |
| C02 | C03 | C04 | H3 | 120.5° | 120.0° |
| C02 | C03 | C04 | H4 | 120.5° | 120.0° |
| C02 | C03 | C04 | C13 | 170.2° | 66.1° |
| C02 | C03 | C04 | C05 | 70.5° | 173.9° |
| C02 | C03 | H3 | H4 | 118.5° | 120.0° |
| C02 | C03 | C04 | H5 | 49.6° | 53.9° |
| C03 | C02 | N18 | H22 | 1.3° | 0.0° |
| O01 | C02 | C03 | C04 | 60.8° | 6.2° |
| O01 | C02 | C03 | H3 | 178.7° | 113.8° |
| O01 | C02 | C03 | H4 | 59.6° | 126.1° |
| O01 | C02 | N18 | H22 | 179.4° | 180.0° |
| C03 | C04 | C05 | C12 | 59.7° | 60.0° |
| C03 | C04 | C13 | C05 | 120.6° | 120.0° |
| C03 | C04 | C13 | H5 | 120.3° | 120.0° |
| C03 | C04 | C05 | H5 | 120.1° | 119.9° |
| C03 | C04 | C13 | C14 | 78.8° | 174.2° |
| C03 | C04 | C05 | C06 | 123.0° | 120.0° |
| C04 | C03 | H3 | H4 | 118.5° | 120.0° |
| C03 | C04 | C13 | H8 | 161.3° | 65.8° |
| C03 | C04 | C13 | H9 | 41.1° | 54.2° |
| O16 | N15 | C14 | H21 | 180.0° | 180.0° |
| O16 | N15 | C14 | C13 | 179.3° | 180.0° |
| O16 | N15 | C14 | O17 | 1.1° | 0.0° |
| N15 | C14 | C13 | C04 | 113.7° | 174.1° |
| N15 | C14 | C13 | O17 | 179.6° | 180.0° |
| C14 | N15 | O16 | H2 | 0.5° | 180.0° |
| N15 | C14 | C13 | H8 | 126.4° | 54.1° |
| N15 | C14 | C13 | H9 | 6.1° | 65.9° |
| C11 | C12 | C05 | H7 | 180.0° | 180.0° |
| C12 | C11 | C09 | H1 | 180.0° | 179.6° |
| C11 | C12 | C05 | C04 | 179.4° | 180.0° |
| C11 | C12 | C05 | C06 | 2.1° | 0.0° |
| C12 | C11 | C09 | CL10 | 179.1° | 179.7° |
| C12 | C11 | C09 | C08 | 0.8° | 0.3° |
| C05 | C12 | C11 | C09 | 1.6° | 0.0° |
| C12 | C05 | C04 | C13 | 61.0° | 60.0° |
| C12 | C05 | C04 | C06 | 177.3° | 180.0° |
| C12 | C05 | C06 | C08 | 1.9° | 0.3° |
| C12 | C05 | C06 | CL07 | 178.3° | 180.0° |
| C05 | C12 | C11 | H1 | 178.4° | 179.7° |
| C12 | C05 | C04 | H5 | 179.8° | 180.0° |
| C11 | C09 | CL10 | C08 | 179.9° | 179.9° |
| C11 | C09 | C08 | C06 | 0.5° | 0.6° |
| C11 | C09 | C08 | H6 | 179.5° | 180.0° |
| C09 | C11 | C12 | H7 | 178.4° | 180.0° |
| C13 | C04 | C05 | H5 | 119.2° | 120.0° |
| C04 | C13 | C14 | H8 | 119.9° | 120.0° |
| C04 | C13 | C14 | H9 | 119.8° | 120.0° |
| C04 | C13 | C14 | O17 | 65.9° | 5.9° |
| C13 | C04 | C05 | C06 | 116.3° | 120.0° |
| C13 | C04 | C03 | H3 | 69.3° | 173.9° |
| C13 | C04 | C03 | H4 | 49.7° | 53.8° |
| C04 | C13 | H8 | H9 | 120.4° | 120.0° |
| C05 | C04 | C13 | C14 | 160.6° | 65.8° |
| C04 | C05 | C06 | C08 | 179.1° | 179.7° |
| C04 | C05 | C06 | CL07 | 1.1° | 0.0° |
| C05 | C04 | C03 | H3 | 50.0° | 53.9° |
| C05 | C04 | C03 | H4 | 169.0° | 66.1° |
| C04 | C05 | C12 | H7 | 0.6° | 0.0° |
| C05 | C04 | C13 | H8 | 40.7° | 54.2° |
| C05 | C04 | C13 | H9 | 79.5° | 174.2° |
| C14 | C13 | C04 | H5 | 41.6° | 54.2° |
| C14 | C13 | H8 | H9 | 120.4° | 120.0° |
| C13 | C14 | N15 | H21 | 0.7° | 0.0° |
| O17 | C14 | C13 | H8 | 54.0° | 125.9° |
| O17 | C14 | C13 | H9 | 174.3° | 114.1° |
| O17 | C14 | N15 | H21 | 178.9° | 180.0° |
| C05 | C06 | C08 | C09 | 1.0° | 0.6° |
| C05 | C06 | C08 | CL07 | 179.8° | 179.7° |
| C06 | C05 | C04 | H5 | 2.9° | 0.0° |
| C05 | C06 | C08 | H6 | 179.0° | 180.0° |
| C06 | C05 | C12 | H7 | 177.8° | 180.0° |
| CL10 | C09 | C08 | C06 | 179.4° | 179.5° |
| CL10 | C09 | C11 | H1 | 0.9° | 0.1° |
| CL10 | C09 | C08 | H6 | 0.6° | 0.0° |
| C09 | C08 | C06 | H6 | 180.0° | 179.5° |
| C09 | C08 | C06 | CL07 | 179.2° | 179.7° |
| C08 | C09 | C11 | H1 | 179.2° | 180.0° |
| CL07 | C06 | C08 | H6 | 0.8° | 0.3° |
| H1 | C11 | C12 | H7 | 1.6° | 0.3° |
| H2 | O16 | N15 | H21 | 179.5° | 0.0° |
| H3 | C03 | C04 | H5 | 170.1° | 66.1° |
| H4 | C03 | C04 | H5 | 70.8° | 173.9° |
| H5 | C04 | C13 | H8 | 78.3° | 174.2° |
| H5 | C04 | C13 | H9 | 161.4° | 65.8° |
| H10 | C19 | C20 | H12 | 161.8° | 60.0° |
| H10 | C19 | C20 | H13 | 80.1° | 180.0° |
| H10 | C19 | N18 | H22 | 119.6° | 120.0° |
| H11 | C19 | C20 | H12 | 41.3° | 180.0° |
| H11 | C19 | C20 | H13 | 159.4° | 60.0° |
| H11 | C19 | N18 | H22 | 119.9° | 120.0° |
| H12 | C20 | C21 | H14 | 161.4° | 179.9° |
| H12 | C20 | C21 | H15 | 78.4° | 60.0° |
| H13 | C20 | C21 | H14 | 43.3° | 60.0° |
| H13 | C20 | C21 | H15 | 163.4° | 180.0° |
| H14 | C21 | C22 | H16 | 61.3° | 180.0° |
| H14 | C21 | C22 | H17 | 179.5° | 60.0° |
| H15 | C21 | C22 | H16 | 58.8° | 60.0° |
| H15 | C21 | C22 | H17 | 60.3° | 180.0° |
| H16 | C22 | C23 | H18 | 59.5° | 179.9° |
| H16 | C22 | C23 | H19 | 60.5° | 60.1° |
| H16 | C22 | C23 | H20 | 179.6° | 60.0° |
| H17 | C22 | C23 | H18 | 59.5° | 60.0° |
| H17 | C22 | C23 | H19 | 179.5° | 180.0° |
| H17 | C22 | C23 | H20 | 60.5° | 60.0° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
