6C5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C4 | doub | 1.21Å | 1.30Å | |
| C1 | C | sing | 1.55Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C | C3 | sing | 1.55Å | 1.54Å | |
| C4 | N | sing | 1.35Å | 1.36Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| N | C2 | sing | 1.47Å | 1.46Å | |
| C5 | N1 | sing | 1.46Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C6 | C10 | sing | 1.54Å | 1.53Å | |
| C8 | C9 | sing | 1.54Å | 1.47Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C4 | N | 120.9° | 120.0° |
| O | C4 | N1 | 120.2° | 120.0° |
| C | C1 | N | 101.4° | 104.8° |
| C1 | C | C3 | 109.9° | 101.6° |
| C | C1 | H1 | 111.5° | 110.4° |
| C | C1 | H2 | 111.5° | 110.4° |
| C1 | C | H19 | 109.4° | 111.0° |
| C1 | C | H20 | 109.4° | 111.0° |
| C1 | N | C4 | 120.5° | 125.7° |
| C1 | N | C2 | 116.8° | 108.7° |
| N | C1 | H1 | 111.4° | 110.3° |
| N | C1 | H2 | 111.4° | 110.3° |
| C | C3 | C2 | 105.5° | 102.9° |
| C | C3 | H5 | 110.5° | 110.7° |
| C | C3 | H6 | 110.5° | 110.9° |
| C3 | C | H19 | 109.4° | 111.0° |
| C3 | C | H20 | 109.4° | 111.1° |
| N | C4 | N1 | 118.7° | 120.0° |
| C4 | N | C2 | 121.2° | 125.6° |
| C4 | N1 | C5 | 120.8° | 120.0° |
| C4 | N1 | H12 | 119.6° | 120.0° |
| N | C2 | C3 | 102.7° | 107.3° |
| N | C2 | H3 | 111.1° | 109.9° |
| N | C2 | H4 | 111.1° | 110.1° |
| N1 | C5 | C6 | 116.0° | 109.4° |
| N1 | C5 | H7 | 107.8° | 109.5° |
| N1 | C5 | H8 | 107.8° | 109.5° |
| C5 | N1 | H12 | 119.6° | 120.0° |
| C5 | C6 | C7 | 115.5° | 110.5° |
| C5 | C6 | C10 | 120.9° | 110.5° |
| C6 | C5 | H7 | 107.8° | 109.5° |
| C6 | C5 | H8 | 107.8° | 109.5° |
| C5 | C6 | H9 | 103.3° | 110.4° |
| C3 | C2 | H3 | 111.1° | 109.9° |
| C3 | C2 | H4 | 111.1° | 109.9° |
| C2 | C3 | H5 | 110.4° | 110.7° |
| C2 | C3 | H6 | 110.4° | 110.7° |
| C6 | C7 | C8 | 106.3° | 102.8° |
| C7 | C6 | C10 | 108.4° | 104.2° |
| C7 | C6 | H9 | 103.2° | 110.6° |
| C6 | C7 | H10 | 110.3° | 110.7° |
| C6 | C7 | H11 | 110.2° | 110.8° |
| C7 | C8 | C9 | 108.2° | 104.2° |
| C8 | C7 | H10 | 110.2° | 110.7° |
| C8 | C7 | H11 | 110.3° | 110.8° |
| C7 | C8 | H13 | 109.8° | 110.5° |
| C7 | C8 | H14 | 109.8° | 110.5° |
| C6 | C10 | C9 | 103.9° | 106.6° |
| C10 | C6 | H9 | 103.1° | 110.5° |
| C6 | C10 | H17 | 110.8° | 110.0° |
| C6 | C10 | H18 | 110.9° | 110.0° |
| C8 | C9 | C10 | 109.4° | 106.6° |
| C9 | C8 | H13 | 109.8° | 110.5° |
| C9 | C8 | H14 | 109.8° | 110.5° |
| C8 | C9 | H15 | 109.5° | 110.0° |
| C8 | C9 | H16 | 109.5° | 110.0° |
| C10 | C9 | H15 | 109.5° | 110.1° |
| C10 | C9 | H16 | 109.5° | 110.1° |
| C9 | C10 | H17 | 110.8° | 110.0° |
| C9 | C10 | H18 | 110.8° | 110.0° |
| H1 | C1 | H2 | 109.5° | 110.5° |
| H3 | C2 | H4 | 109.5° | 109.8° |
| H5 | C3 | H6 | 109.5° | 110.6° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 110.8° |
| H13 | C8 | H14 | 109.4° | 110.5° |
| H15 | C9 | H16 | 109.4° | 110.0° |
| H17 | C10 | H18 | 109.5° | 110.0° |
| H19 | C | H20 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C4 | N | C1 | 0.8° | 0.0° |
| O | C4 | N | N1 | 175.6° | 180.0° |
| O | C4 | N | C2 | 164.9° | 179.9° |
| O | C4 | N1 | C5 | 6.1° | 0.0° |
| O | C4 | N1 | H12 | 173.9° | 180.0° |
| C | C1 | N | H1 | 118.7° | 118.9° |
| C | C1 | N | H2 | 118.7° | 118.8° |
| C1 | C | C3 | H19 | 120.1° | 118.0° |
| C1 | C | C3 | H20 | 120.1° | 118.1° |
| C | C1 | N | C4 | 171.1° | 156.0° |
| C | C1 | N | C2 | 4.8° | 24.1° |
| C1 | C | C3 | C2 | 17.3° | 35.5° |
| C | C1 | H1 | H2 | 123.8° | 122.4° |
| C1 | C | C3 | H5 | 102.1° | 82.9° |
| C1 | C | C3 | H6 | 136.6° | 153.9° |
| C1 | C | H19 | H20 | 119.8° | 123.8° |
| N | C1 | C | C3 | 8.1° | 37.0° |
| C1 | N | C4 | C2 | 165.7° | 179.9° |
| C1 | N | C4 | N1 | 176.5° | 180.0° |
| C1 | N | C2 | C3 | 15.3° | 1.1° |
| N | C1 | H1 | H2 | 123.7° | 122.2° |
| C1 | N | C2 | H3 | 103.6° | 120.5° |
| C1 | N | C2 | H4 | 134.2° | 118.4° |
| N | C1 | C | H19 | 128.2° | 81.1° |
| N | C1 | C | H20 | 112.0° | 155.1° |
| C | C3 | C2 | N | 18.6° | 22.2° |
| C | C3 | C2 | H5 | 119.4° | 118.3° |
| C | C3 | C2 | H6 | 119.4° | 118.6° |
| C3 | C | C1 | H1 | 126.8° | 155.8° |
| C3 | C | C1 | H2 | 110.6° | 81.8° |
| C | C3 | C2 | H3 | 100.3° | 97.3° |
| C | C3 | C2 | H4 | 137.5° | 141.8° |
| C | C3 | H5 | H6 | 121.9° | 123.3° |
| C3 | C | H19 | H20 | 119.8° | 124.0° |
| N | C4 | N1 | C5 | 178.3° | 180.0° |
| C4 | N | C2 | C3 | 178.5° | 179.0° |
| C4 | N | C1 | H1 | 52.4° | 37.1° |
| C4 | N | C1 | H2 | 70.2° | 85.2° |
| C4 | N | C2 | H3 | 62.6° | 59.6° |
| C4 | N | C2 | H4 | 59.6° | 61.5° |
| N | C4 | N1 | H12 | 1.7° | 0.0° |
| N1 | C4 | N | C2 | 10.8° | 0.1° |
| C4 | N1 | C5 | H12 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 134.5° | 180.0° |
| C4 | N1 | C5 | H7 | 13.6° | 60.0° |
| C4 | N1 | C5 | H8 | 104.5° | 60.0° |
| N | C2 | C3 | H3 | 118.9° | 119.4° |
| N | C2 | C3 | H4 | 118.9° | 119.7° |
| C2 | N | C1 | H1 | 113.9° | 143.0° |
| C2 | N | C1 | H2 | 123.5° | 94.7° |
| N | C2 | H3 | H4 | 123.1° | 121.2° |
| N | C2 | C3 | H5 | 100.7° | 96.2° |
| N | C2 | C3 | H6 | 138.0° | 140.7° |
| N1 | C5 | C6 | H7 | 120.9° | 120.0° |
| N1 | C5 | C6 | H8 | 121.0° | 120.0° |
| N1 | C5 | C6 | C7 | 170.4° | 70.3° |
| N1 | C5 | C6 | C10 | 36.6° | 175.0° |
| N1 | C5 | H7 | H8 | 117.0° | 120.0° |
| N1 | C5 | C6 | H9 | 77.7° | 52.4° |
| C5 | C6 | C7 | C10 | 139.2° | 118.6° |
| C5 | C6 | C7 | H9 | 111.9° | 122.6° |
| C5 | C6 | C7 | C8 | 148.7° | 156.6° |
| C5 | C6 | C10 | H9 | 114.4° | 122.5° |
| C5 | C6 | C10 | C9 | 154.3° | 142.2° |
| C6 | C5 | H7 | H8 | 117.0° | 120.0° |
| C5 | C6 | C7 | H10 | 91.8° | 85.1° |
| C5 | C6 | C7 | H11 | 29.2° | 38.3° |
| C6 | C5 | N1 | H12 | 45.5° | 0.0° |
| C5 | C6 | C10 | H17 | 35.2° | 22.9° |
| C5 | C6 | C10 | H18 | 86.6° | 98.5° |
| C3 | C2 | H3 | H4 | 123.1° | 120.9° |
| C2 | C3 | H5 | H6 | 121.8° | 123.2° |
| C2 | C3 | C | H19 | 137.4° | 82.6° |
| C2 | C3 | C | H20 | 102.8° | 153.6° |
| C6 | C7 | C8 | H10 | 119.5° | 118.3° |
| C6 | C7 | C8 | H11 | 119.5° | 118.4° |
| C7 | C6 | C10 | H9 | 109.0° | 118.9° |
| C6 | C7 | C8 | C9 | 3.1° | 38.0° |
| C7 | C6 | C10 | C9 | 17.7° | 23.6° |
| C7 | C6 | C5 | H7 | 68.7° | 169.8° |
| C7 | C6 | C5 | H8 | 49.4° | 49.8° |
| C6 | C7 | H10 | H11 | 121.5° | 123.4° |
| C6 | C7 | C8 | H13 | 122.9° | 80.7° |
| C6 | C7 | C8 | H14 | 116.7° | 156.7° |
| C7 | C6 | C10 | H17 | 101.4° | 95.7° |
| C7 | C6 | C10 | H18 | 136.8° | 142.9° |
| C8 | C7 | C6 | C10 | 9.5° | 38.0° |
| C7 | C8 | C9 | H13 | 119.8° | 118.7° |
| C7 | C8 | C9 | H14 | 119.8° | 118.7° |
| C7 | C8 | C9 | C10 | 14.7° | 23.6° |
| C8 | C7 | C6 | H9 | 99.4° | 80.8° |
| C8 | C7 | H10 | H11 | 121.4° | 123.3° |
| C7 | C8 | H13 | H14 | 120.6° | 122.6° |
| C7 | C8 | C9 | H15 | 105.3° | 142.9° |
| C7 | C8 | C9 | H16 | 134.7° | 95.7° |
| C6 | C10 | C9 | C8 | 20.0° | 0.0° |
| C6 | C10 | C9 | H17 | 119.1° | 119.3° |
| C6 | C10 | C9 | H18 | 119.1° | 119.3° |
| C10 | C6 | C5 | H7 | 157.6° | 55.0° |
| C10 | C6 | C5 | H8 | 84.3° | 65.0° |
| C10 | C6 | C7 | H10 | 129.0° | 156.3° |
| C10 | C6 | C7 | H11 | 110.0° | 80.4° |
| C6 | C10 | C9 | H15 | 100.0° | 119.2° |
| C6 | C10 | C9 | H16 | 139.9° | 119.3° |
| C6 | C10 | H17 | H18 | 122.6° | 121.4° |
| C8 | C9 | C10 | H15 | 120.0° | 119.2° |
| C8 | C9 | C10 | H16 | 120.0° | 119.3° |
| C9 | C8 | C7 | H10 | 116.4° | 156.3° |
| C9 | C8 | C7 | H11 | 122.6° | 80.4° |
| C9 | C8 | H13 | H14 | 120.6° | 122.6° |
| C8 | C9 | H15 | H16 | 120.0° | 121.4° |
| C8 | C9 | C10 | H17 | 99.1° | 119.3° |
| C8 | C9 | C10 | H18 | 139.1° | 119.3° |
| C9 | C10 | C6 | H9 | 91.3° | 95.2° |
| C10 | C9 | C8 | H13 | 134.5° | 95.1° |
| C10 | C9 | C8 | H14 | 105.1° | 142.3° |
| C10 | C9 | H15 | H16 | 120.1° | 121.5° |
| C9 | C10 | H17 | H18 | 122.6° | 121.4° |
| H1 | C1 | C | H19 | 113.2° | 37.7° |
| H1 | C1 | C | H20 | 6.7° | 86.1° |
| H2 | C1 | C | H19 | 9.5° | 160.1° |
| H2 | C1 | C | H20 | 129.3° | 36.4° |
| H3 | C2 | C3 | H5 | 140.3° | 144.4° |
| H3 | C2 | C3 | H6 | 19.1° | 21.3° |
| H4 | C2 | C3 | H5 | 18.2° | 23.5° |
| H4 | C2 | C3 | H6 | 103.1° | 99.6° |
| H5 | C3 | C | H19 | 18.0° | 159.1° |
| H5 | C3 | C | H20 | 137.8° | 35.2° |
| H6 | C3 | C | H19 | 103.3° | 35.9° |
| H6 | C3 | C | H20 | 16.5° | 88.0° |
| H7 | C5 | C6 | H9 | 43.2° | 67.5° |
| H7 | C5 | N1 | H12 | 166.4° | 120.0° |
| H8 | C5 | C6 | H9 | 161.3° | 172.5° |
| H8 | C5 | N1 | H12 | 75.4° | 120.0° |
| H9 | C6 | C7 | H10 | 20.1° | 37.5° |
| H9 | C6 | C7 | H11 | 141.1° | 160.8° |
| H9 | C6 | C10 | H17 | 149.7° | 145.5° |
| H9 | C6 | C10 | H18 | 27.8° | 24.1° |
| H10 | C7 | C8 | H13 | 3.4° | 37.6° |
| H10 | C7 | C8 | H14 | 123.8° | 85.0° |
| H11 | C7 | C8 | H13 | 117.6° | 160.9° |
| H11 | C7 | C8 | H14 | 2.8° | 38.3° |
| H13 | C8 | C9 | H15 | 14.5° | 24.2° |
| H13 | C8 | C9 | H16 | 105.5° | 145.6° |
| H14 | C8 | C9 | H15 | 134.8° | 98.4° |
| H14 | C8 | C9 | H16 | 14.9° | 23.0° |
| H15 | C9 | C10 | H17 | 140.9° | 121.5° |
| H15 | C9 | C10 | H18 | 19.1° | 0.1° |
| H16 | C9 | C10 | H17 | 20.8° | 0.0° |
| H16 | C9 | C10 | H18 | 100.9° | 121.4° |
