AZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.50Å | |
| C09 | C07 | sing | 1.51Å | 1.50Å | |
| C09 | S10 | sing | 1.81Å | 1.77Å | |
| O06 | C07 | sing | 1.34Å | 1.37Å | |
| O06 | C05 | sing | 1.45Å | 1.39Å | |
| C02 | C03 | sing | 1.53Å | 1.48Å | |
| C02 | C05 | sing | 1.53Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| S10 | C11 | sing | 1.76Å | 1.73Å | |
| N12 | C11 | doub | 1.31Å | 1.33Å | |
| N12 | N13 | sing | 1.40Å | 1.37Å | |
| C11 | C17 | sing | 1.47Å | 1.38Å | |
| N13 | C14 | sing | 1.34Å | 1.38Å | |
| C17 | O18 | doub | 1.22Å | 1.23Å | |
| C17 | N16 | sing | 1.35Å | 1.36Å | |
| C14 | N16 | sing | 1.35Å | 1.34Å | |
| C14 | O15 | doub | 1.22Å | 1.21Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | 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 | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | C03 | 108.6° | 109.4° |
| C04 | C02 | C05 | 108.0° | 109.5° |
| C04 | C02 | C01 | 109.1° | 109.4° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.4° | 109.4° |
| C02 | C04 | H9 | 109.5° | 109.4° |
| C07 | C09 | S10 | 122.7° | 109.5° |
| C09 | C07 | O06 | 118.0° | 120.0° |
| C09 | C07 | O08 | 123.0° | 120.0° |
| C07 | C09 | H12 | 106.0° | 109.5° |
| C07 | C09 | H13 | 106.0° | 109.5° |
| C09 | S10 | C11 | 104.1° | 103.0° |
| S10 | C09 | H12 | 106.1° | 109.4° |
| S10 | C09 | H13 | 106.1° | 109.5° |
| C07 | O06 | C05 | 117.6° | 117.0° |
| O06 | C07 | O08 | 116.1° | 120.0° |
| O06 | C05 | C02 | 119.0° | 109.4° |
| O06 | C05 | H10 | 107.1° | 109.5° |
| O06 | C05 | H11 | 107.0° | 109.5° |
| C03 | C02 | C05 | 109.0° | 109.5° |
| C03 | C02 | C01 | 110.6° | 109.5° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.5° |
| C05 | C02 | C01 | 111.4° | 109.5° |
| C02 | C05 | H10 | 107.0° | 109.5° |
| C02 | C05 | H11 | 107.0° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| S10 | C11 | N12 | 117.3° | 120.6° |
| S10 | C11 | C17 | 119.8° | 120.6° |
| C11 | N12 | N13 | 118.5° | 119.9° |
| N12 | C11 | C17 | 122.9° | 118.9° |
| N12 | N13 | C14 | 119.1° | 120.9° |
| N12 | N13 | H14 | 120.5° | 119.5° |
| C11 | C17 | O18 | 120.1° | 120.4° |
| C11 | C17 | N16 | 118.1° | 119.1° |
| N13 | C14 | N16 | 121.5° | 121.1° |
| N13 | C14 | O15 | 115.9° | 119.4° |
| C14 | N13 | H14 | 120.4° | 119.5° |
| O18 | C17 | N16 | 121.8° | 120.5° |
| C17 | N16 | C14 | 119.9° | 120.1° |
| C17 | N16 | H15 | 120.0° | 120.0° |
| N16 | C14 | O15 | 122.6° | 119.5° |
| C14 | N16 | H15 | 120.0° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.4° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H12 | C09 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | C05 | O06 | 53.2° | 60.0° |
| C04 | C02 | C03 | C05 | 117.5° | 120.0° |
| C04 | C02 | C03 | C01 | 119.7° | 119.9° |
| C04 | C02 | C05 | C01 | 119.8° | 120.0° |
| C04 | C02 | C01 | H1 | 180.0° | 180.0° |
| C04 | C02 | C01 | H2 | 60.0° | 60.0° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C04 | C02 | C03 | H4 | 180.0° | 180.0° |
| C04 | C02 | C03 | H5 | 60.0° | 60.0° |
| C04 | C02 | C03 | H6 | 60.0° | 60.1° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 119.9° |
| C04 | C02 | C05 | H10 | 68.2° | 60.0° |
| C04 | C02 | C05 | H11 | 174.5° | 180.0° |
| C07 | C09 | S10 | H12 | 121.8° | 120.0° |
| C07 | C09 | S10 | H13 | 121.8° | 120.1° |
| C09 | C07 | O06 | O08 | 161.6° | 179.9° |
| C09 | C07 | O06 | C05 | 169.0° | 180.0° |
| C07 | C09 | S10 | C11 | 68.5° | 180.0° |
| C07 | C09 | H12 | H13 | 114.0° | 120.0° |
| S10 | C09 | C07 | O06 | 136.4° | 180.0° |
| S10 | C09 | C07 | O08 | 23.7° | 0.0° |
| C09 | S10 | C11 | N12 | 6.0° | 0.3° |
| C09 | S10 | C11 | C17 | 174.3° | 180.0° |
| S10 | C09 | H12 | H13 | 114.1° | 119.9° |
| C07 | O06 | C05 | C02 | 174.9° | 180.0° |
| C07 | O06 | C05 | H10 | 63.8° | 60.0° |
| C07 | O06 | C05 | H11 | 53.6° | 60.0° |
| O06 | C07 | C09 | H12 | 101.7° | 60.1° |
| O06 | C07 | C09 | H13 | 14.6° | 59.9° |
| O06 | C05 | C02 | C03 | 64.6° | 60.0° |
| O06 | C05 | C02 | H10 | 121.4° | 120.0° |
| O06 | C05 | C02 | H11 | 121.3° | 120.0° |
| O06 | C05 | C02 | C01 | 173.0° | 180.0° |
| C05 | O06 | C07 | O08 | 7.5° | 0.1° |
| O06 | C05 | H10 | H11 | 115.7° | 120.0° |
| C03 | C02 | C05 | C01 | 122.4° | 120.0° |
| C03 | C02 | C01 | H1 | 60.6° | 60.0° |
| C03 | C02 | C01 | H2 | 59.4° | 179.9° |
| C03 | C02 | C01 | H3 | 179.4° | 59.9° |
| C02 | C03 | H4 | H5 | 120.0° | 120.1° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 180.0° | 60.0° |
| C03 | C02 | C04 | H8 | 60.0° | 180.0° |
| C03 | C02 | C04 | H9 | 60.0° | 60.1° |
| C03 | C02 | C05 | H10 | 174.0° | 180.0° |
| C03 | C02 | C05 | H11 | 56.7° | 60.0° |
| C05 | C02 | C01 | H1 | 60.9° | 60.0° |
| C05 | C02 | C01 | H2 | 179.1° | 60.0° |
| C05 | C02 | C01 | H3 | 59.1° | 180.0° |
| C05 | C02 | C03 | H4 | 62.6° | 59.9° |
| C05 | C02 | C03 | H5 | 57.5° | 180.0° |
| C05 | C02 | C03 | H6 | 177.4° | 60.0° |
| C05 | C02 | C04 | H7 | 61.9° | 180.0° |
| C05 | C02 | C04 | H8 | 178.1° | 59.9° |
| C05 | C02 | C04 | H9 | 58.1° | 60.0° |
| C02 | C05 | H10 | H11 | 115.7° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 60.3° | 60.1° |
| C01 | C02 | C03 | H5 | 179.7° | 60.0° |
| C01 | C02 | C03 | H6 | 59.7° | 180.0° |
| C01 | C02 | C04 | H7 | 59.3° | 60.0° |
| C01 | C02 | C04 | H8 | 60.7° | 60.1° |
| C01 | C02 | C04 | H9 | 179.3° | 180.0° |
| C01 | C02 | C05 | H10 | 51.6° | 60.0° |
| C01 | C02 | C05 | H11 | 65.7° | 60.0° |
| O08 | C07 | C09 | H12 | 98.1° | 120.0° |
| O08 | C07 | C09 | H13 | 145.6° | 120.0° |
| S10 | C11 | N12 | C17 | 179.6° | 179.8° |
| S10 | C11 | N12 | N13 | 176.5° | 180.0° |
| S10 | C11 | C17 | O18 | 4.5° | 0.0° |
| S10 | C11 | C17 | N16 | 176.2° | 179.7° |
| C11 | S10 | C09 | H12 | 169.7° | 60.0° |
| C11 | S10 | C09 | H13 | 53.3° | 59.9° |
| C11 | N12 | N13 | C14 | 1.5° | 0.0° |
| N12 | C11 | C17 | O18 | 175.2° | 179.7° |
| N12 | C11 | C17 | N16 | 4.1° | 0.5° |
| C11 | N12 | N13 | H14 | 178.5° | 180.0° |
| N13 | N12 | C11 | C17 | 3.8° | 0.2° |
| N12 | N13 | C14 | H14 | 180.0° | 180.0° |
| N12 | N13 | C14 | N16 | 0.4° | 0.0° |
| N12 | N13 | C14 | O15 | 177.7° | 179.9° |
| C11 | C17 | O18 | N16 | 179.3° | 179.8° |
| C11 | C17 | N16 | C14 | 2.0° | 0.5° |
| C11 | C17 | N16 | H15 | 177.9° | 179.8° |
| N13 | C14 | N16 | C17 | 0.1° | 0.3° |
| N13 | C14 | N16 | O15 | 177.1° | 179.9° |
| N13 | C14 | N16 | H15 | 179.9° | 180.0° |
| O18 | C17 | N16 | C14 | 177.2° | 179.7° |
| O18 | C17 | N16 | H15 | 2.8° | 0.0° |
| C17 | N16 | C14 | H15 | 180.0° | 179.7° |
| C17 | N16 | C14 | O15 | 177.2° | 179.8° |
| N16 | C14 | N13 | H14 | 179.6° | 180.0° |
| O15 | C14 | N13 | H14 | 2.3° | 0.0° |
| O15 | C14 | N16 | H15 | 2.8° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 119.9° |
| H7 | C04 | H8 | H9 | 120.0° | 120.1° |
