1U7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.48Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.53Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.33Å | Aromatic |
| C01 | N17 | sing | 1.47Å | 1.46Å | |
| N17 | C16 | sing | 1.46Å | 1.46Å | |
| C09 | C07 | sing | 1.51Å | 1.51Å | |
| C09 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.50Å | Aromatic |
| C07 | C15 | sing | 1.53Å | 1.48Å | |
| C07 | O08 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| O08 | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| N17 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 111.7° | 109.5° |
| C04 | C03 | C02 | 112.8° | 109.6° |
| C04 | C03 | H4 | 108.6° | 109.5° |
| C04 | C03 | H5 | 108.7° | 109.4° |
| C03 | C04 | H6 | 108.9° | 109.5° |
| C03 | C04 | H7 | 108.9° | 109.5° |
| C04 | C05 | C06 | 114.8° | 109.3° |
| C05 | C04 | H6 | 108.9° | 109.5° |
| C05 | C04 | H7 | 108.9° | 109.4° |
| C04 | C05 | H8 | 108.1° | 109.5° |
| C04 | C05 | H9 | 108.1° | 109.5° |
| C03 | C02 | C01 | 112.1° | 109.4° |
| C03 | C02 | H2 | 108.8° | 109.5° |
| C03 | C02 | H3 | 108.8° | 109.4° |
| C02 | C03 | H4 | 108.7° | 109.5° |
| C02 | C03 | H5 | 108.6° | 109.5° |
| C02 | C01 | C06 | 110.8° | 109.4° |
| C02 | C01 | N17 | 103.6° | 109.7° |
| C02 | C01 | H1 | 108.9° | 109.4° |
| C01 | C02 | H2 | 108.8° | 109.5° |
| C01 | C02 | H3 | 108.8° | 109.5° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.1° | 120.0° |
| C11 | C10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H13 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.9° | 120.0° |
| C12 | C11 | H13 | 119.9° | 120.1° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| C05 | C06 | C01 | 111.0° | 109.4° |
| C05 | C06 | C07 | 117.7° | 109.6° |
| C06 | C05 | H8 | 108.1° | 109.6° |
| C06 | C05 | H9 | 108.1° | 109.5° |
| C05 | C06 | H10 | 103.7° | 109.5° |
| C10 | C09 | C07 | 120.0° | 120.0° |
| C10 | C09 | C14 | 119.2° | 120.0° |
| C09 | C10 | H12 | 119.9° | 120.0° |
| C01 | C06 | C07 | 114.2° | 109.1° |
| C06 | C01 | N17 | 113.0° | 109.5° |
| C06 | C01 | H1 | 109.9° | 109.4° |
| C01 | C06 | H10 | 104.0° | 109.6° |
| C06 | C07 | C09 | 111.3° | 109.5° |
| C06 | C07 | C15 | 113.3° | 109.1° |
| C06 | C07 | O08 | 103.3° | 109.5° |
| C07 | C06 | H10 | 104.4° | 109.6° |
| C12 | C13 | C14 | 118.8° | 119.9° |
| C13 | C12 | H14 | 119.6° | 120.0° |
| C12 | C13 | H15 | 120.6° | 120.0° |
| C01 | N17 | C16 | 112.6° | 111.3° |
| N17 | C01 | H1 | 110.4° | 109.4° |
| C01 | N17 | H21 | 108.7° | 111.0° |
| N17 | C16 | C15 | 114.8° | 109.7° |
| N17 | C16 | H19 | 108.1° | 109.4° |
| N17 | C16 | H20 | 108.1° | 109.5° |
| C16 | N17 | H21 | 108.7° | 110.8° |
| C07 | C09 | C14 | 120.8° | 120.0° |
| C09 | C07 | C15 | 110.4° | 109.5° |
| C09 | C07 | O08 | 108.7° | 109.6° |
| C09 | C14 | C13 | 120.9° | 120.1° |
| C09 | C14 | H16 | 119.5° | 120.0° |
| C14 | C13 | H15 | 120.6° | 120.0° |
| C13 | C14 | H16 | 119.6° | 120.0° |
| C15 | C07 | O08 | 109.5° | 109.6° |
| C07 | C15 | C16 | 115.4° | 109.3° |
| C07 | C15 | H17 | 108.0° | 109.5° |
| C07 | C15 | H18 | 107.9° | 109.5° |
| C07 | O08 | H11 | 109.5° | 114.0° |
| C16 | C15 | H17 | 108.0° | 109.5° |
| C16 | C15 | H18 | 108.0° | 109.5° |
| C15 | C16 | H19 | 108.1° | 109.4° |
| C15 | C16 | H20 | 108.1° | 109.4° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H6 | C04 | H7 | 109.5° | 109.4° |
| H8 | C05 | H9 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H6 | 120.3° | 120.1° |
| C03 | C04 | C05 | H7 | 120.3° | 120.0° |
| C04 | C03 | C02 | H4 | 120.5° | 120.1° |
| C04 | C03 | C02 | H5 | 120.5° | 120.0° |
| C04 | C03 | C02 | C01 | 53.3° | 59.9° |
| C03 | C04 | C05 | C06 | 47.9° | 59.9° |
| C04 | C03 | C02 | H2 | 67.1° | 179.9° |
| C04 | C03 | C02 | H3 | 173.7° | 60.1° |
| C04 | C03 | H4 | H5 | 118.5° | 119.9° |
| C03 | C04 | H6 | H7 | 119.0° | 120.0° |
| C03 | C04 | C05 | H8 | 72.9° | 60.1° |
| C03 | C04 | C05 | H9 | 168.7° | 179.9° |
| C05 | C04 | C03 | C02 | 48.3° | 59.8° |
| C04 | C05 | C06 | H8 | 120.8° | 120.0° |
| C04 | C05 | C06 | H9 | 120.8° | 120.0° |
| C04 | C05 | C06 | C01 | 52.5° | 60.3° |
| C04 | C05 | C06 | C07 | 173.4° | 179.9° |
| C05 | C04 | C03 | H4 | 168.8° | 60.3° |
| C05 | C04 | C03 | H5 | 72.1° | 179.8° |
| C05 | C04 | H6 | H7 | 119.0° | 119.9° |
| C04 | C05 | H8 | H9 | 117.6° | 120.0° |
| C04 | C05 | C06 | H10 | 58.7° | 59.9° |
| C03 | C02 | C01 | H2 | 120.4° | 120.0° |
| C03 | C02 | C01 | H3 | 120.4° | 119.9° |
| C03 | C02 | C01 | C06 | 57.4° | 60.2° |
| C03 | C02 | C01 | N17 | 178.9° | 179.7° |
| C03 | C02 | C01 | H1 | 63.6° | 59.7° |
| C03 | C02 | H2 | H3 | 118.8° | 120.0° |
| C02 | C03 | H4 | H5 | 118.5° | 120.0° |
| C02 | C03 | C04 | H6 | 168.7° | 179.9° |
| C02 | C03 | C04 | H7 | 72.0° | 60.2° |
| C02 | C01 | C06 | C05 | 55.3° | 60.5° |
| C02 | C01 | C06 | N17 | 115.8° | 120.2° |
| C02 | C01 | C06 | H1 | 120.4° | 119.8° |
| C02 | C01 | C06 | C07 | 168.9° | 179.6° |
| C02 | C01 | N17 | H1 | 116.5° | 120.0° |
| C02 | C01 | N17 | C16 | 171.7° | 178.2° |
| C01 | C02 | H2 | H3 | 118.8° | 120.1° |
| C01 | C02 | C03 | H4 | 173.8° | 60.2° |
| C01 | C02 | C03 | H5 | 67.2° | 179.9° |
| C02 | C01 | C06 | H10 | 55.7° | 59.6° |
| C02 | C01 | N17 | H21 | 51.2° | 57.8° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C11 | C10 | C09 | H12 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.6° | 0.0° |
| C11 | C10 | C09 | C07 | 179.9° | 180.0° |
| C11 | C10 | C09 | C14 | 0.9° | 0.3° |
| C10 | C11 | C12 | H14 | 178.4° | 180.0° |
| C12 | C11 | C10 | C09 | 1.6° | 0.1° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.0° | 0.2° |
| C12 | C11 | C10 | H12 | 178.4° | 180.0° |
| C11 | C12 | C13 | H15 | 179.0° | 180.0° |
| C05 | C06 | C01 | C07 | 135.8° | 119.9° |
| C05 | C06 | C01 | H10 | 111.0° | 120.1° |
| C05 | C06 | C07 | H10 | 114.3° | 120.2° |
| C05 | C06 | C01 | N17 | 171.1° | 179.3° |
| C05 | C06 | C07 | C09 | 55.1° | 62.5° |
| C05 | C06 | C07 | C15 | 179.8° | 177.7° |
| C05 | C06 | C07 | O08 | 61.4° | 57.7° |
| C05 | C06 | C01 | H1 | 65.1° | 59.4° |
| C06 | C05 | C04 | H6 | 168.3° | 180.0° |
| C06 | C05 | C04 | H7 | 72.4° | 60.1° |
| C06 | C05 | H8 | H9 | 117.6° | 120.1° |
| C10 | C09 | C07 | C06 | 74.1° | 30.3° |
| C10 | C09 | C07 | C14 | 179.2° | 179.7° |
| C10 | C09 | C14 | C13 | 0.4° | 0.5° |
| C10 | C09 | C07 | C15 | 52.6° | 89.3° |
| C10 | C09 | C07 | O08 | 172.8° | 150.5° |
| C09 | C10 | C11 | H13 | 178.4° | 180.0° |
| C10 | C09 | C14 | H16 | 179.6° | 179.7° |
| C01 | C06 | C07 | H10 | 113.0° | 120.0° |
| C06 | C01 | N17 | H1 | 123.6° | 120.0° |
| C06 | C01 | N17 | C16 | 51.7° | 61.8° |
| C01 | C06 | C07 | C09 | 172.2° | 177.7° |
| C01 | C06 | C07 | C15 | 47.1° | 57.8° |
| C01 | C06 | C07 | O08 | 71.3° | 62.1° |
| C06 | C01 | C02 | H2 | 63.0° | 179.8° |
| C06 | C01 | C02 | H3 | 177.8° | 59.8° |
| C01 | C06 | C05 | H8 | 68.2° | 59.7° |
| C01 | C06 | C05 | H9 | 173.3° | 179.7° |
| C06 | C01 | N17 | H21 | 68.8° | 62.2° |
| C07 | C06 | C01 | N17 | 53.1° | 59.4° |
| C06 | C07 | C09 | C15 | 126.7° | 119.6° |
| C06 | C07 | C09 | O08 | 113.2° | 120.2° |
| C06 | C07 | C09 | C14 | 105.1° | 150.0° |
| C06 | C07 | C15 | O08 | 114.7° | 119.9° |
| C06 | C07 | C15 | C16 | 41.3° | 57.6° |
| C07 | C06 | C01 | H1 | 70.7° | 60.6° |
| C07 | C06 | C05 | H8 | 65.9° | 60.0° |
| C07 | C06 | C05 | H9 | 52.6° | 60.1° |
| C06 | C07 | O08 | H11 | 180.0° | 180.0° |
| C06 | C07 | C15 | H17 | 162.2° | 177.5° |
| C06 | C07 | C15 | H18 | 79.5° | 62.4° |
| C12 | C13 | C14 | C09 | 0.4° | 0.5° |
| C12 | C13 | C14 | H15 | 180.0° | 179.8° |
| C13 | C12 | C11 | H13 | 178.4° | 180.0° |
| C12 | C13 | C14 | H16 | 179.6° | 179.7° |
| C01 | N17 | C16 | H21 | 120.5° | 124.0° |
| C01 | N17 | C16 | C15 | 46.2° | 61.5° |
| N17 | C01 | C02 | H2 | 58.5° | 59.7° |
| N17 | C01 | C02 | H3 | 60.7° | 60.4° |
| N17 | C01 | C06 | H10 | 60.1° | 60.6° |
| C01 | N17 | C16 | H19 | 167.0° | 58.5° |
| C01 | N17 | C16 | H20 | 74.6° | 178.4° |
| N17 | C16 | C15 | C07 | 41.5° | 58.9° |
| N17 | C16 | C15 | H19 | 120.8° | 119.9° |
| N17 | C16 | C15 | H20 | 120.8° | 120.2° |
| C16 | N17 | C01 | H1 | 71.9° | 58.2° |
| N17 | C16 | C15 | H17 | 162.3° | 178.8° |
| N17 | C16 | C15 | H18 | 79.4° | 61.0° |
| N17 | C16 | H19 | H20 | 117.6° | 120.0° |
| C07 | C09 | C14 | C13 | 179.5° | 179.8° |
| C09 | C07 | C15 | O08 | 119.7° | 120.2° |
| C09 | C07 | C15 | C16 | 166.9° | 177.5° |
| C09 | C07 | C06 | H10 | 59.2° | 57.7° |
| C09 | C07 | O08 | H11 | 61.6° | 59.9° |
| C07 | C09 | C10 | H12 | 0.1° | 0.1° |
| C07 | C09 | C14 | H16 | 0.5° | 0.0° |
| C09 | C07 | C15 | H17 | 72.2° | 62.6° |
| C09 | C07 | C15 | H18 | 46.1° | 57.5° |
| C09 | C14 | C13 | H16 | 180.0° | 179.8° |
| C14 | C09 | C07 | C15 | 128.2° | 90.4° |
| C14 | C09 | C07 | O08 | 8.1° | 29.8° |
| C14 | C09 | C10 | H12 | 179.1° | 179.8° |
| C09 | C14 | C13 | H15 | 179.6° | 179.8° |
| C14 | C13 | C12 | H14 | 179.0° | 179.8° |
| C07 | C15 | C16 | H17 | 120.9° | 119.9° |
| C07 | C15 | C16 | H18 | 120.8° | 120.0° |
| C15 | C07 | C06 | H10 | 65.9° | 62.2° |
| C15 | C07 | O08 | H11 | 59.1° | 60.3° |
| C07 | C15 | H17 | H18 | 117.3° | 120.1° |
| C07 | C15 | C16 | H19 | 162.2° | 61.0° |
| C07 | C15 | C16 | H20 | 79.3° | 179.1° |
| O08 | C07 | C15 | C16 | 73.4° | 62.3° |
| O08 | C07 | C06 | H10 | 175.7° | 177.9° |
| O08 | C07 | C15 | H17 | 47.5° | 57.6° |
| O08 | C07 | C15 | H18 | 165.7° | 177.7° |
| C16 | C15 | H17 | H18 | 117.3° | 120.1° |
| C15 | C16 | H19 | H20 | 117.6° | 119.9° |
| C15 | C16 | N17 | H21 | 74.3° | 62.6° |
| H1 | C01 | C02 | H2 | 176.0° | 60.3° |
| H1 | C01 | C02 | H3 | 56.8° | 179.6° |
| H1 | C01 | C06 | H10 | 176.1° | 179.4° |
| H1 | C01 | N17 | H21 | 167.7° | 177.8° |
| H2 | C02 | C03 | H4 | 53.4° | 59.8° |
| H2 | C02 | C03 | H5 | 172.4° | 60.1° |
| H3 | C02 | C03 | H4 | 65.8° | 179.9° |
| H3 | C02 | C03 | H5 | 53.2° | 59.9° |
| H4 | C03 | C04 | H6 | 70.8° | 59.8° |
| H4 | C03 | C04 | H7 | 48.5° | 179.8° |
| H5 | C03 | C04 | H6 | 48.2° | 60.1° |
| H5 | C03 | C04 | H7 | 167.5° | 59.9° |
| H6 | C04 | C05 | H8 | 47.5° | 60.0° |
| H6 | C04 | C05 | H9 | 71.0° | 60.0° |
| H7 | C04 | C05 | H8 | 166.8° | 179.9° |
| H7 | C04 | C05 | H9 | 48.4° | 59.9° |
| H8 | C05 | C06 | H10 | 179.4° | 179.8° |
| H9 | C05 | C06 | H10 | 62.1° | 60.1° |
| H12 | C10 | C11 | H13 | 1.6° | 0.1° |
| H13 | C11 | C12 | H14 | 1.6° | 0.0° |
| H14 | C12 | C13 | H15 | 1.0° | 0.0° |
| H15 | C13 | C14 | H16 | 0.4° | 0.0° |
| H17 | C15 | C16 | H19 | 76.9° | 58.9° |
| H17 | C15 | C16 | H20 | 41.6° | 61.0° |
| H18 | C15 | C16 | H19 | 41.4° | 179.0° |
| H18 | C15 | C16 | H20 | 159.8° | 59.2° |
| H19 | C16 | N17 | H21 | 46.5° | 177.5° |
| H20 | C16 | N17 | H21 | 164.9° | 57.6° |
