7QO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C03 | sing | 1.43Å | 1.41Å | |
| O19 | C18 | doub | 1.21Å | 1.25Å | |
| C02 | O07 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | doub | 1.35Å | 1.36Å | |
| C14 | C13 | sing | 1.41Å | 1.36Å | |
| O20 | C18 | sing | 1.34Å | 1.26Å | |
| C15 | N10 | sing | 1.36Å | 1.33Å | |
| C18 | C01 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | O08 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C01 | O06 | sing | 1.43Å | 1.41Å | |
| O06 | C05 | sing | 1.43Å | 1.41Å | |
| N16 | C13 | sing | 1.38Å | 1.45Å | |
| C13 | N12 | doub | 1.33Å | 1.32Å | |
| N10 | C05 | sing | 1.46Å | 1.46Å | |
| N10 | C11 | sing | 1.35Å | 1.35Å | |
| N12 | C11 | sing | 1.33Å | 1.35Å | |
| C11 | O17 | doub | 1.22Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| N16 | H8 | sing | 0.97Å | 1.00Å | |
| N16 | H9 | sing | 0.97Å | 1.00Å | |
| O07 | H10 | sing | 0.97Å | 0.95Å | |
| O08 | H11 | sing | 0.97Å | 0.95Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C03 | C02 | 110.1° | 109.5° |
| O09 | C03 | C04 | 109.4° | 109.5° |
| O09 | C03 | H3 | 109.3° | 109.6° |
| C03 | O09 | H12 | 109.5° | 114.0° |
| O19 | C18 | O20 | 117.1° | 120.1° |
| O19 | C18 | C01 | 121.0° | 120.0° |
| O07 | C02 | C03 | 106.4° | 109.5° |
| O07 | C02 | C01 | 110.0° | 109.5° |
| O07 | C02 | H2 | 110.7° | 109.6° |
| C02 | O07 | H10 | 109.5° | 114.0° |
| C03 | C02 | C01 | 112.2° | 109.2° |
| C02 | C03 | C04 | 112.7° | 109.1° |
| C03 | C02 | H2 | 108.8° | 109.5° |
| C02 | C03 | H3 | 107.6° | 109.5° |
| C02 | C01 | C18 | 111.0° | 109.5° |
| C02 | C01 | O06 | 111.2° | 109.4° |
| C02 | C01 | H1 | 108.6° | 109.5° |
| C01 | C02 | H2 | 108.8° | 109.5° |
| C15 | C14 | C13 | 119.6° | 119.0° |
| C14 | C15 | N10 | 120.7° | 119.3° |
| C15 | C14 | H6 | 120.2° | 120.5° |
| C14 | C15 | H7 | 119.7° | 120.3° |
| C14 | C13 | N16 | 121.9° | 120.2° |
| C14 | C13 | N12 | 119.4° | 119.6° |
| C13 | C14 | H6 | 120.2° | 120.5° |
| O20 | C18 | C01 | 121.8° | 120.0° |
| C18 | O20 | H13 | 109.5° | 116.9° |
| C15 | N10 | C05 | 121.2° | 119.8° |
| C15 | N10 | C11 | 118.9° | 120.3° |
| N10 | C15 | H7 | 119.6° | 120.4° |
| C18 | C01 | O06 | 106.9° | 109.5° |
| C18 | C01 | H1 | 108.6° | 109.5° |
| C03 | C04 | O08 | 107.0° | 109.5° |
| C03 | C04 | C05 | 110.6° | 109.2° |
| C04 | C03 | H3 | 107.7° | 109.5° |
| C03 | C04 | H4 | 108.9° | 109.5° |
| O08 | C04 | C05 | 110.7° | 109.5° |
| O08 | C04 | H4 | 110.7° | 109.6° |
| C04 | O08 | H11 | 109.5° | 114.0° |
| C04 | C05 | O06 | 112.7° | 109.4° |
| C04 | C05 | N10 | 108.6° | 109.5° |
| C05 | C04 | H4 | 108.8° | 109.5° |
| C04 | C05 | H5 | 109.1° | 109.4° |
| C01 | O06 | C05 | 115.8° | 114.1° |
| O06 | C01 | H1 | 110.4° | 109.5° |
| O06 | C05 | N10 | 105.2° | 109.5° |
| O06 | C05 | H5 | 110.9° | 109.5° |
| N16 | C13 | N12 | 118.6° | 120.2° |
| C13 | N16 | H8 | 120.0° | 120.0° |
| C13 | N16 | H9 | 120.0° | 120.0° |
| C13 | N12 | C11 | 120.8° | 120.7° |
| C05 | N10 | C11 | 119.8° | 119.8° |
| N10 | C05 | H5 | 110.2° | 109.5° |
| N10 | C11 | N12 | 120.5° | 121.1° |
| N10 | C11 | O17 | 120.4° | 119.4° |
| N12 | C11 | O17 | 119.1° | 119.5° |
| H8 | N16 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C03 | C02 | O07 | 71.3° | 63.2° |
| O09 | C03 | C02 | C04 | 122.4° | 119.9° |
| O09 | C03 | C02 | H3 | 119.0° | 120.3° |
| O09 | C03 | C02 | C01 | 168.4° | 176.8° |
| O09 | C03 | C04 | H3 | 118.7° | 120.3° |
| O09 | C03 | C04 | O08 | 70.7° | 63.2° |
| O09 | C03 | C04 | C05 | 168.6° | 176.8° |
| O09 | C03 | C02 | H2 | 48.0° | 57.0° |
| O09 | C03 | C04 | H4 | 49.0° | 56.9° |
| O19 | C18 | C01 | C02 | 44.9° | 115.0° |
| O19 | C18 | O20 | C01 | 179.8° | 179.9° |
| O19 | C18 | C01 | O06 | 166.3° | 5.0° |
| O19 | C18 | C01 | H1 | 74.5° | 125.0° |
| O19 | C18 | O20 | H13 | 0.0° | 0.1° |
| O07 | C02 | C03 | C01 | 120.3° | 119.9° |
| O07 | C02 | C03 | H2 | 119.3° | 120.2° |
| O07 | C02 | C01 | H2 | 121.4° | 120.2° |
| O07 | C02 | C01 | C18 | 73.1° | 62.5° |
| O07 | C02 | C03 | C04 | 166.3° | 176.9° |
| O07 | C02 | C01 | O06 | 168.0° | 177.5° |
| O07 | C02 | C01 | H1 | 46.2° | 57.5° |
| O07 | C02 | C03 | H3 | 47.7° | 57.0° |
| C03 | C02 | C01 | H2 | 120.3° | 119.9° |
| C03 | C02 | C01 | C18 | 168.7° | 177.6° |
| C02 | C03 | C04 | H3 | 118.6° | 119.8° |
| C02 | C03 | C04 | O08 | 166.5° | 176.9° |
| C02 | C03 | C04 | C05 | 45.8° | 56.9° |
| C03 | C02 | C01 | O06 | 49.7° | 57.6° |
| C03 | C02 | C01 | H1 | 72.0° | 62.4° |
| C02 | C03 | C04 | H4 | 73.8° | 63.0° |
| C03 | C02 | O07 | H10 | 166.7° | 180.0° |
| C02 | C03 | O09 | H12 | 180.0° | 60.0° |
| C02 | C01 | C18 | O20 | 135.0° | 65.1° |
| C02 | C01 | C18 | O06 | 121.5° | 120.0° |
| C02 | C01 | C18 | H1 | 119.3° | 120.0° |
| C01 | C02 | C03 | C04 | 46.0° | 56.9° |
| C02 | C01 | O06 | H1 | 120.6° | 120.0° |
| C02 | C01 | O06 | C05 | 57.3° | 61.2° |
| C01 | C02 | C03 | H3 | 72.6° | 62.9° |
| C01 | C02 | O07 | H10 | 44.9° | 60.3° |
| C15 | C14 | C13 | H6 | 180.0° | 179.7° |
| C14 | C15 | N10 | H7 | 180.0° | 179.8° |
| C15 | C14 | C13 | N16 | 179.7° | 179.7° |
| C15 | C14 | C13 | N12 | 0.0° | 0.3° |
| C14 | C15 | N10 | C05 | 178.3° | 180.0° |
| C14 | C15 | N10 | C11 | 0.6° | 0.0° |
| C13 | C14 | C15 | N10 | 0.3° | 0.3° |
| C14 | C13 | N16 | N12 | 179.6° | 180.0° |
| C14 | C13 | N12 | C11 | 0.1° | 0.0° |
| C13 | C14 | C15 | H7 | 179.7° | 179.9° |
| C14 | C13 | N16 | H8 | 179.7° | 179.9° |
| C14 | C13 | N16 | H9 | 0.4° | 0.0° |
| O20 | C18 | C01 | O06 | 13.5° | 175.0° |
| O20 | C18 | C01 | H1 | 105.7° | 55.0° |
| C15 | N10 | C05 | C04 | 86.9° | 115.0° |
| C15 | N10 | C05 | O06 | 34.0° | 125.1° |
| C15 | N10 | C05 | C11 | 177.6° | 180.0° |
| C15 | N10 | C11 | N12 | 0.8° | 0.3° |
| C15 | N10 | C11 | O17 | 179.2° | 180.0° |
| C15 | N10 | C05 | H5 | 153.7° | 5.0° |
| N10 | C15 | C14 | H6 | 179.7° | 179.9° |
| C18 | C01 | O06 | H1 | 118.0° | 120.0° |
| C18 | C01 | O06 | C05 | 178.7° | 178.9° |
| C18 | C01 | C02 | H2 | 48.3° | 57.7° |
| C01 | C18 | O20 | H13 | 179.8° | 180.0° |
| C03 | C04 | O08 | C05 | 120.6° | 119.7° |
| C03 | C04 | O08 | H4 | 118.6° | 120.1° |
| C03 | C04 | C05 | H4 | 119.6° | 119.9° |
| C03 | C04 | C05 | O06 | 50.9° | 57.6° |
| C03 | C04 | C05 | N10 | 167.0° | 177.6° |
| C04 | C03 | C02 | H2 | 74.4° | 62.9° |
| C03 | C04 | C05 | H5 | 72.8° | 62.4° |
| C03 | C04 | O08 | H11 | 180.0° | 60.0° |
| C04 | C03 | O09 | H12 | 55.7° | 179.6° |
| O08 | C04 | C05 | H4 | 121.9° | 120.2° |
| O08 | C04 | C05 | O06 | 169.4° | 177.5° |
| O08 | C04 | C05 | N10 | 74.5° | 62.5° |
| O08 | C04 | C03 | H3 | 47.9° | 57.0° |
| O08 | C04 | C05 | H5 | 45.7° | 57.6° |
| C04 | C05 | O06 | C01 | 58.7° | 61.1° |
| C04 | C05 | O06 | N10 | 118.1° | 120.0° |
| C04 | C05 | O06 | H5 | 122.7° | 119.9° |
| C04 | C05 | N10 | H5 | 119.5° | 120.0° |
| C04 | C05 | N10 | C11 | 95.6° | 65.0° |
| C05 | C04 | C03 | H3 | 72.8° | 62.9° |
| C05 | C04 | O08 | H11 | 59.4° | 179.7° |
| C01 | O06 | C05 | N10 | 176.8° | 178.9° |
| O06 | C01 | C02 | H2 | 70.6° | 62.3° |
| C01 | O06 | C05 | H5 | 64.0° | 58.8° |
| O06 | C05 | N10 | H5 | 119.6° | 120.0° |
| O06 | C05 | N10 | C11 | 143.6° | 55.0° |
| C05 | O06 | C01 | H1 | 63.4° | 58.8° |
| O06 | C05 | C04 | H4 | 68.7° | 62.3° |
| N16 | C13 | N12 | C11 | 179.8° | 180.0° |
| N16 | C13 | C14 | H6 | 0.3° | 0.1° |
| C13 | N16 | H8 | H9 | 180.0° | 179.9° |
| C13 | N12 | C11 | N10 | 0.5° | 0.3° |
| C13 | N12 | C11 | O17 | 179.4° | 180.0° |
| N12 | C13 | C14 | H6 | 180.0° | 179.9° |
| N12 | C13 | N16 | H8 | 0.0° | 0.1° |
| N12 | C13 | N16 | H9 | 180.0° | 180.0° |
| C05 | N10 | C11 | N12 | 178.4° | 179.7° |
| C05 | N10 | C11 | O17 | 1.5° | 0.0° |
| N10 | C05 | C04 | H4 | 47.4° | 57.7° |
| C05 | N10 | C15 | H7 | 1.7° | 0.2° |
| N10 | C11 | N12 | O17 | 179.9° | 179.7° |
| C11 | N10 | C05 | H5 | 23.9° | 175.0° |
| C11 | N10 | C15 | H7 | 179.3° | 179.8° |
| H1 | C01 | C02 | H2 | 167.6° | 177.7° |
| H2 | C02 | C03 | H3 | 167.0° | 177.2° |
| H2 | C02 | O07 | H10 | 75.3° | 59.8° |
| H3 | C03 | C04 | H4 | 167.7° | 177.2° |
| H3 | C03 | O09 | H12 | 62.0° | 60.1° |
| H4 | C04 | C05 | H5 | 167.6° | 177.7° |
| H4 | C04 | O08 | H11 | 61.4° | 60.1° |
| H6 | C14 | C15 | H7 | 0.3° | 0.3° |
