AR5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.21Å | 1.21Å | |
| O | C5 | sing | 1.34Å | 1.30Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O3 | C6 | doub | 1.21Å | 1.22Å | |
| C9 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | N3 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C6 | O2 | sing | 1.35Å | 1.35Å | |
| C7 | O2 | sing | 1.45Å | 1.48Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N2 | C1 | sing | 1.46Å | 1.46Å | |
| N2 | C | sing | 1.38Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C | N1 | doub | 1.30Å | 1.33Å | |
| C | N | sing | 1.38Å | 1.31Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| N | H22 | sing | 0.97Å | 1.00Å | |
| N | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | O | 124.7° | 120.0° |
| O1 | C5 | C4 | 123.3° | 119.9° |
| O | C5 | C4 | 112.0° | 120.1° |
| C5 | O | H12 | 109.5° | 117.0° |
| C5 | C4 | N3 | 110.4° | 109.5° |
| C5 | C4 | C3 | 112.1° | 109.5° |
| C5 | C4 | H11 | 107.6° | 109.5° |
| C8 | C7 | C9 | 112.1° | 109.5° |
| C8 | C7 | O2 | 106.1° | 109.4° |
| C8 | C7 | C10 | 111.7° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.4° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| O3 | C6 | N3 | 123.9° | 120.0° |
| O3 | C6 | O2 | 126.2° | 120.0° |
| C9 | C7 | O2 | 107.4° | 109.4° |
| C9 | C7 | C10 | 111.3° | 109.5° |
| C7 | C9 | H4 | 109.5° | 109.5° |
| C7 | C9 | H5 | 109.5° | 109.4° |
| C7 | C9 | H6 | 109.5° | 109.5° |
| N3 | C4 | C3 | 110.6° | 109.5° |
| C4 | N3 | C6 | 120.0° | 120.0° |
| C4 | N3 | H10 | 120.0° | 120.0° |
| N3 | C4 | H11 | 108.6° | 109.4° |
| C4 | C3 | C2 | 113.4° | 109.5° |
| C3 | C4 | H11 | 107.4° | 109.5° |
| C4 | C3 | H13 | 108.5° | 109.5° |
| C4 | C3 | H14 | 108.5° | 109.5° |
| N3 | C6 | O2 | 109.9° | 120.0° |
| C6 | N3 | H10 | 120.0° | 120.1° |
| C6 | O2 | C7 | 121.7° | 117.0° |
| O2 | C7 | C10 | 107.9° | 109.5° |
| C7 | C10 | H1 | 109.5° | 109.5° |
| C7 | C10 | H2 | 109.5° | 109.5° |
| C7 | C10 | H3 | 109.5° | 109.5° |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C2 | C3 | H13 | 108.5° | 109.5° |
| C2 | C3 | H14 | 108.5° | 109.5° |
| C3 | C2 | H15 | 109.0° | 109.5° |
| C3 | C2 | H16 | 109.0° | 109.5° |
| C1 | N2 | C | 123.8° | 120.0° |
| N2 | C1 | C2 | 111.2° | 109.5° |
| N2 | C1 | H17 | 109.0° | 109.5° |
| N2 | C1 | H18 | 109.0° | 109.5° |
| C1 | N2 | H19 | 118.1° | 120.0° |
| N2 | C | N1 | 118.1° | 120.0° |
| N2 | C | N | 119.2° | 120.0° |
| C | N2 | H19 | 118.1° | 120.0° |
| C1 | C2 | H15 | 109.0° | 109.4° |
| C1 | C2 | H16 | 109.0° | 109.5° |
| C2 | C1 | H17 | 109.0° | 109.4° |
| C2 | C1 | H18 | 109.0° | 109.5° |
| N1 | C | N | 122.7° | 120.0° |
| C | N1 | H20 | 112.0° | 120.0° |
| C | N | H22 | 120.0° | 120.0° |
| C | N | H23 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.4° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H22 | N | H23 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | O | C4 | 179.2° | 179.9° |
| O1 | C5 | C4 | N3 | 154.8° | 0.1° |
| O1 | C5 | C4 | C3 | 81.4° | 120.0° |
| O1 | C5 | C4 | H11 | 36.5° | 120.0° |
| O1 | C5 | O | H12 | 0.0° | 0.0° |
| O | C5 | C4 | N3 | 26.0° | 180.0° |
| O | C5 | C4 | C3 | 97.8° | 60.0° |
| O | C5 | C4 | H11 | 144.3° | 60.0° |
| C5 | C4 | N3 | C3 | 124.7° | 120.0° |
| C5 | C4 | N3 | H11 | 117.7° | 120.0° |
| C5 | C4 | C3 | H11 | 118.0° | 120.0° |
| C5 | C4 | N3 | C6 | 64.1° | 85.0° |
| C5 | C4 | C3 | C2 | 165.3° | 175.0° |
| C5 | C4 | N3 | H10 | 115.9° | 95.0° |
| C4 | C5 | O | H12 | 179.1° | 180.0° |
| C5 | C4 | C3 | H13 | 74.1° | 65.0° |
| C5 | C4 | C3 | H14 | 44.7° | 55.0° |
| C8 | C7 | C9 | O2 | 116.2° | 119.9° |
| C8 | C7 | C9 | C10 | 125.9° | 120.1° |
| C8 | C7 | O2 | C6 | 65.7° | 60.0° |
| C8 | C7 | O2 | C10 | 119.9° | 120.0° |
| C8 | C7 | C10 | H1 | 180.0° | 180.0° |
| C8 | C7 | C10 | H2 | 60.0° | 60.0° |
| C8 | C7 | C10 | H3 | 60.0° | 60.0° |
| C8 | C7 | C9 | H4 | 180.0° | 60.0° |
| C8 | C7 | C9 | H5 | 60.0° | 60.1° |
| C8 | C7 | C9 | H6 | 60.0° | 180.0° |
| C7 | C8 | H7 | H8 | 120.0° | 119.9° |
| C7 | C8 | H7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.1° |
| O3 | C6 | N3 | C4 | 5.6° | 0.1° |
| O3 | C6 | N3 | O2 | 179.8° | 179.7° |
| O3 | C6 | O2 | C7 | 13.3° | 0.0° |
| O3 | C6 | N3 | H10 | 174.4° | 180.0° |
| C9 | C7 | O2 | C6 | 54.4° | 180.0° |
| C9 | C7 | O2 | C10 | 120.0° | 120.0° |
| C9 | C7 | C10 | H1 | 53.8° | 60.0° |
| C9 | C7 | C10 | H2 | 66.2° | 60.0° |
| C9 | C7 | C10 | H3 | 173.8° | 180.0° |
| C7 | C9 | H4 | H5 | 120.0° | 120.0° |
| C7 | C9 | H4 | H6 | 120.0° | 120.0° |
| C7 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | C7 | C8 | H7 | 180.0° | 180.0° |
| C9 | C7 | C8 | H8 | 60.0° | 60.1° |
| C9 | C7 | C8 | H9 | 60.0° | 60.0° |
| N3 | C4 | C3 | H11 | 118.3° | 119.9° |
| C4 | N3 | C6 | H10 | 180.0° | 180.0° |
| C4 | N3 | C6 | O2 | 174.7° | 179.7° |
| N3 | C4 | C3 | C2 | 71.0° | 65.0° |
| N3 | C4 | C3 | H13 | 49.6° | 55.0° |
| N3 | C4 | C3 | H14 | 168.4° | 175.0° |
| C3 | C4 | N3 | C6 | 171.2° | 154.9° |
| C4 | C3 | C2 | H13 | 120.6° | 120.0° |
| C4 | C3 | C2 | H14 | 120.6° | 120.0° |
| C4 | C3 | C2 | C1 | 77.8° | 180.0° |
| C3 | C4 | N3 | H10 | 8.8° | 25.0° |
| C4 | C3 | H13 | H14 | 118.2° | 120.0° |
| C4 | C3 | C2 | H15 | 42.5° | 60.0° |
| C4 | C3 | C2 | H16 | 162.0° | 60.0° |
| N3 | C6 | O2 | C7 | 166.9° | 179.7° |
| C6 | N3 | C4 | H11 | 53.6° | 35.0° |
| C6 | O2 | C7 | C10 | 174.4° | 60.0° |
| O2 | C6 | N3 | H10 | 5.3° | 0.3° |
| O2 | C7 | C10 | H1 | 63.7° | 60.0° |
| O2 | C7 | C10 | H2 | 176.3° | 180.0° |
| O2 | C7 | C10 | H3 | 56.3° | 60.0° |
| O2 | C7 | C9 | H4 | 63.8° | 60.0° |
| O2 | C7 | C9 | H5 | 56.2° | 180.0° |
| O2 | C7 | C9 | H6 | 176.2° | 60.0° |
| O2 | C7 | C8 | H7 | 63.1° | 60.0° |
| O2 | C7 | C8 | H8 | 176.9° | 180.0° |
| O2 | C7 | C8 | H9 | 56.9° | 60.0° |
| C7 | C10 | H1 | H2 | 120.0° | 120.0° |
| C7 | C10 | H1 | H3 | 120.0° | 120.0° |
| C7 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C7 | C9 | H4 | 54.1° | 180.0° |
| C10 | C7 | C9 | H5 | 174.1° | 60.0° |
| C10 | C7 | C9 | H6 | 66.0° | 59.9° |
| C10 | C7 | C8 | H7 | 54.3° | 60.0° |
| C10 | C7 | C8 | H8 | 65.7° | 60.0° |
| C10 | C7 | C8 | H9 | 174.3° | 180.0° |
| C3 | C2 | C1 | N2 | 82.2° | 180.0° |
| C3 | C2 | C1 | H15 | 120.3° | 120.0° |
| C3 | C2 | C1 | H16 | 120.2° | 120.0° |
| C2 | C3 | C4 | H11 | 47.3° | 55.0° |
| C2 | C3 | H13 | H14 | 118.2° | 120.0° |
| C3 | C2 | H15 | H16 | 119.2° | 120.0° |
| C3 | C2 | C1 | H17 | 157.5° | 60.0° |
| C3 | C2 | C1 | H18 | 38.0° | 60.0° |
| C1 | N2 | C | H19 | 180.0° | 180.0° |
| N2 | C1 | C2 | H17 | 120.2° | 120.0° |
| N2 | C1 | C2 | H18 | 120.2° | 120.0° |
| C1 | N2 | C | N1 | 164.2° | 0.0° |
| C1 | N2 | C | N | 16.3° | 180.0° |
| N2 | C1 | C2 | H15 | 157.5° | 60.0° |
| N2 | C1 | C2 | H16 | 38.0° | 60.0° |
| N2 | C1 | H17 | H18 | 119.2° | 120.1° |
| C | N2 | C1 | C2 | 134.3° | 180.0° |
| N2 | C | N1 | N | 179.5° | 180.0° |
| C | N2 | C1 | H17 | 14.1° | 60.1° |
| C | N2 | C1 | H18 | 105.5° | 60.0° |
| N2 | C | N1 | H20 | 179.5° | 180.0° |
| N2 | C | N | H22 | 179.5° | 0.0° |
| N2 | C | N | H23 | 0.5° | 180.0° |
| C1 | C2 | C3 | H13 | 161.7° | 60.0° |
| C1 | C2 | C3 | H14 | 42.8° | 60.0° |
| C1 | C2 | H15 | H16 | 119.2° | 120.0° |
| C2 | C1 | H17 | H18 | 119.2° | 120.0° |
| C2 | C1 | N2 | H19 | 45.7° | 0.0° |
| N1 | C | N2 | H19 | 15.8° | 180.0° |
| N1 | C | N | H22 | 0.0° | 180.0° |
| N1 | C | N | H23 | 180.0° | 0.1° |
| N | C | N2 | H19 | 163.7° | 0.0° |
| N | C | N1 | H20 | 0.0° | 0.0° |
| C | N | H22 | H23 | 180.0° | 180.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C9 | H5 | H6 | 120.0° | 120.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | N3 | C4 | H11 | 126.4° | 145.0° |
| H11 | C4 | C3 | H13 | 167.9° | 175.0° |
| H11 | C4 | C3 | H14 | 73.3° | 65.1° |
| H13 | C3 | C2 | H15 | 78.1° | 180.0° |
| H13 | C3 | C2 | H16 | 41.4° | 60.0° |
| H14 | C3 | C2 | H15 | 163.1° | 60.0° |
| H14 | C3 | C2 | H16 | 77.4° | 180.0° |
| H15 | C2 | C1 | H17 | 37.3° | 180.0° |
| H15 | C2 | C1 | H18 | 82.3° | 60.0° |
| H16 | C2 | C1 | H17 | 82.2° | 60.0° |
| H16 | C2 | C1 | H18 | 158.2° | 180.0° |
| H17 | C1 | N2 | H19 | 165.9° | 120.0° |
| H18 | C1 | N2 | H19 | 74.5° | 119.9° |
