OU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.21Å | 1.23Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C01 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | N1 | sing | 1.35Å | 10.94Å | |
| N1 | O1 | sing | 1.21Å | 0.00Å | |
| O1 | C2 | sing | 1.34Å | 0.00Å | |
| C2 | C3 | sing | 1.42Å | 0.00Å | |
| C3 | C4 | doub | 1.36Å | 0.00Å | |
| C4 | N1 | sing | 1.36Å | 0.00Å | |
| C2 | O2 | doub | 1.22Å | 0.00Å | |
| C4 | C1 | sing | 1.51Å | 0.00Å | |
| C3 | H6 | sing | 1.08Å | 0.00Å | |
| C1 | C5 | sing | 1.53Å | 0.00Å | |
| C1 | C6 | sing | 1.53Å | 0.00Å | |
| C1 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | H9 | sing | 1.09Å | 0.00Å | |
| C5 | H10 | sing | 1.09Å | 0.00Å | |
| C6 | H11 | sing | 1.09Å | 0.00Å | |
| C6 | H12 | sing | 1.09Å | 0.00Å | |
| C6 | H13 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C03 | 129.4° | 120.0° |
| O05 | C04 | N1 | 54.7° | 120.0° |
| C01 | C02 | C03 | 59.6° | 60.0° |
| C02 | C01 | C03 | 58.7° | 60.0° |
| C02 | C01 | H1 | 120.2° | 117.5° |
| C02 | C01 | H2 | 120.2° | 117.6° |
| C01 | C02 | H3 | 120.1° | 117.5° |
| C01 | C02 | H4 | 120.0° | 117.5° |
| C02 | C03 | C04 | 110.5° | 117.5° |
| C02 | C03 | C01 | 61.7° | 60.0° |
| C03 | C02 | H3 | 120.1° | 117.5° |
| C03 | C02 | H4 | 120.1° | 117.5° |
| C02 | C03 | H5 | 122.0° | 117.5° |
| C04 | C03 | C01 | 103.6° | 117.5° |
| C04 | C03 | H5 | 121.7° | 115.6° |
| C03 | C04 | N1 | 162.4° | 120.0° |
| C03 | C01 | H1 | 120.2° | 117.5° |
| C03 | C01 | H2 | 120.2° | 117.5° |
| C01 | C03 | H5 | 121.7° | 117.5° |
| H1 | C01 | H2 | 109.5° | 115.5° |
| H3 | C02 | H4 | 109.5° | 115.5° |
| C04 | N1 | O1 | 90.0° | 124.2° |
| C04 | N1 | C4 | 90.0° | 124.2° |
| N1 | O1 | C2 | 90.0° | 111.0° |
| O1 | N1 | C4 | 90.0° | 111.6° |
| O1 | C2 | C3 | 90.0° | 106.2° |
| O1 | C2 | O2 | 90.0° | 126.9° |
| C2 | C3 | C4 | 90.0° | 104.3° |
| C3 | C2 | O2 | 90.0° | 126.9° |
| C2 | C3 | H6 | 90.0° | 127.8° |
| C3 | C4 | N1 | 90.0° | 107.0° |
| C3 | C4 | C1 | 90.0° | 126.5° |
| C4 | C3 | H6 | 90.0° | 127.9° |
| N1 | C4 | C1 | 90.0° | 126.5° |
| C4 | C1 | C5 | 90.0° | 109.4° |
| C4 | C1 | C6 | 90.0° | 109.5° |
| C4 | C1 | H7 | 90.0° | 109.5° |
| C5 | C1 | C6 | 90.0° | 109.4° |
| C5 | C1 | H7 | 90.0° | 109.5° |
| C1 | C5 | H8 | 90.0° | 109.5° |
| C1 | C5 | H9 | 90.0° | 109.5° |
| C1 | C5 | H10 | 90.0° | 109.5° |
| C6 | C1 | H7 | 90.0° | 109.5° |
| C1 | C6 | H11 | 90.0° | 109.4° |
| C1 | C6 | H12 | 90.0° | 109.5° |
| C1 | C6 | H13 | 90.0° | 109.5° |
| H8 | C5 | H9 | 90.0° | 109.4° |
| H8 | C5 | H10 | 90.0° | 109.4° |
| H9 | C5 | H10 | 90.0° | 109.5° |
| H11 | C6 | H12 | 90.0° | 109.5° |
| H11 | C6 | H13 | 90.0° | 109.4° |
| H12 | C6 | H13 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C03 | C02 | 17.7° | 68.6° |
| O05 | C04 | C03 | N1 | 96.8° | 180.0° |
| O05 | C04 | C03 | C01 | 46.8° | 0.0° |
| O05 | C04 | C03 | H5 | 171.5° | 145.7° |
| O05 | C04 | N1 | O1 | 90.0° | 174.9° |
| O05 | C04 | N1 | C4 | 90.0° | 5.4° |
| C01 | C02 | C03 | H3 | 109.3° | 107.5° |
| C01 | C02 | C03 | H4 | 109.3° | 107.5° |
| C02 | C01 | C03 | C04 | 106.2° | 107.4° |
| C02 | C01 | C03 | H1 | 109.1° | 107.5° |
| C02 | C01 | C03 | H2 | 109.1° | 107.6° |
| C02 | C01 | H1 | H2 | 145.4° | 145.8° |
| C01 | C02 | H3 | H4 | 144.9° | 145.6° |
| C01 | C02 | C03 | H5 | 111.5° | 107.5° |
| C02 | C03 | C04 | H5 | 153.7° | 145.6° |
| C03 | C02 | H3 | H4 | 145.0° | 145.7° |
| C02 | C03 | C04 | N1 | 114.5° | 111.4° |
| C04 | C03 | C01 | H5 | 141.8° | 145.1° |
| C04 | C03 | C01 | H1 | 2.9° | 0.0° |
| C04 | C03 | C01 | H2 | 144.7° | 145.0° |
| C04 | C03 | C02 | H3 | 155.8° | 145.0° |
| C04 | C03 | C02 | H4 | 14.5° | 0.0° |
| C03 | C04 | N1 | O1 | 90.0° | 5.0° |
| C03 | C04 | N1 | C4 | 90.0° | 174.7° |
| C03 | C01 | H1 | H2 | 145.4° | 145.6° |
| C01 | C03 | C04 | N1 | 50.0° | 180.0° |
| H1 | C01 | C02 | H3 | 141.5° | 145.0° |
| H1 | C01 | C02 | H4 | 0.2° | 0.1° |
| H1 | C01 | C03 | H5 | 138.9° | 145.1° |
| H2 | C01 | C02 | H3 | 0.2° | 0.0° |
| H2 | C01 | C02 | H4 | 141.5° | 145.0° |
| H2 | C01 | C03 | H5 | 2.9° | 0.1° |
| H3 | C02 | C03 | H5 | 2.2° | 0.0° |
| H4 | C02 | C03 | H5 | 139.1° | 145.0° |
| H5 | C03 | C04 | N1 | 91.8° | 34.2° |
| C04 | N1 | O1 | C4 | 90.0° | 179.7° |
| C04 | N1 | O1 | C2 | 90.0° | 180.0° |
| C04 | N1 | C4 | C3 | 90.0° | 179.9° |
| C04 | N1 | C4 | C1 | 90.0° | 0.2° |
| N1 | O1 | C2 | C3 | 90.0° | 0.0° |
| O1 | N1 | C4 | C3 | 90.0° | 0.4° |
| N1 | O1 | C2 | O2 | 90.0° | 180.0° |
| O1 | N1 | C4 | C1 | 90.0° | 179.9° |
| O1 | C2 | C3 | O2 | 90.0° | 180.0° |
| O1 | C2 | C3 | C4 | 90.0° | 0.2° |
| C2 | O1 | N1 | C4 | 90.0° | 0.2° |
| O1 | C2 | C3 | H6 | 90.0° | 180.0° |
| C2 | C3 | C4 | H6 | 90.0° | 179.8° |
| C2 | C3 | C4 | N1 | 90.0° | 0.3° |
| C2 | C3 | C4 | C1 | 90.0° | 180.0° |
| C3 | C4 | N1 | C1 | 90.0° | 179.7° |
| C4 | C3 | C2 | O2 | 90.0° | 179.8° |
| C3 | C4 | C1 | C5 | 90.0° | 94.5° |
| C3 | C4 | C1 | C6 | 90.0° | 25.5° |
| C3 | C4 | C1 | H7 | 90.0° | 145.5° |
| N1 | C4 | C3 | H6 | 90.0° | 179.9° |
| N1 | C4 | C1 | C5 | 90.0° | 85.2° |
| N1 | C4 | C1 | C6 | 90.0° | 154.9° |
| N1 | C4 | C1 | H7 | 90.0° | 34.8° |
| O2 | C2 | C3 | H6 | 90.0° | 0.0° |
| C1 | C4 | C3 | H6 | 90.0° | 0.2° |
| C4 | C1 | C5 | C6 | 90.0° | 120.0° |
| C4 | C1 | C5 | H7 | 90.0° | 120.0° |
| C4 | C1 | C6 | H7 | 90.0° | 120.0° |
| C4 | C1 | C5 | H8 | 90.0° | 55.0° |
| C4 | C1 | C5 | H9 | 90.0° | 65.0° |
| C4 | C1 | C5 | H10 | 90.0° | 175.0° |
| C4 | C1 | C6 | H11 | 90.0° | 55.0° |
| C4 | C1 | C6 | H12 | 90.0° | 175.0° |
| C4 | C1 | C6 | H13 | 90.0° | 65.0° |
| C5 | C1 | C6 | H7 | 90.0° | 120.0° |
| C1 | C5 | H8 | H9 | 90.0° | 120.1° |
| C1 | C5 | H8 | H10 | 90.0° | 120.0° |
| C1 | C5 | H9 | H10 | 90.0° | 120.0° |
| C5 | C1 | C6 | H11 | 90.0° | 174.9° |
| C5 | C1 | C6 | H12 | 90.0° | 65.0° |
| C5 | C1 | C6 | H13 | 90.0° | 55.0° |
| C6 | C1 | C5 | H8 | 90.0° | 175.0° |
| C6 | C1 | C5 | H9 | 90.0° | 55.0° |
| C6 | C1 | C5 | H10 | 90.0° | 65.0° |
| C1 | C6 | H11 | H12 | 90.0° | 120.0° |
| C1 | C6 | H11 | H13 | 90.0° | 120.0° |
| C1 | C6 | H12 | H13 | 90.0° | 120.0° |
| H7 | C1 | C5 | H8 | 90.0° | 64.9° |
| H7 | C1 | C5 | H9 | 90.0° | 175.0° |
| H7 | C1 | C5 | H10 | 90.0° | 55.0° |
| H7 | C1 | C6 | H11 | 90.0° | 65.1° |
| H7 | C1 | C6 | H12 | 90.0° | 55.0° |
| H7 | C1 | C6 | H13 | 90.0° | 175.0° |
| H8 | C5 | H9 | H10 | 90.0° | 119.9° |
| H11 | C6 | H12 | H13 | 90.0° | 120.0° |
