N9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.53Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | doub | 1.39Å | 1.53Å | Aromatic |
| C13 | C21 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.53Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.52Å | Aromatic |
| C09 | N08 | sing | 1.40Å | 1.45Å | |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| N08 | C04 | sing | 1.49Å | 1.52Å | |
| N08 | N07 | sing | 1.46Å | 1.34Å | |
| C04 | C03 | sing | 1.53Å | 1.42Å | |
| C04 | C05 | sing | 1.55Å | 1.57Å | |
| N07 | C06 | sing | 1.48Å | 1.48Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C18 | sing | 1.51Å | 1.52Å | |
| O20 | C18 | doub | 1.21Å | 1.26Å | |
| C05 | C06 | sing | 1.54Å | 1.36Å | |
| C06 | C15 | sing | 1.51Å | 1.53Å | |
| C18 | O19 | sing | 1.34Å | 1.26Å | |
| C15 | O17 | doub | 1.21Å | 1.26Å | |
| C15 | O16 | sing | 1.34Å | 1.26Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | 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 | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| N01 | H17 | sing | 1.01Å | 1.00Å | |
| N01 | H18 | sing | 1.01Å | 1.00Å | |
| N07 | H20 | sing | 1.01Å | 1.00Å | |
| O16 | H22 | sing | 0.97Å | 0.95Å | |
| O19 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C11 | C12 | C13 | 119.8° | 120.1° |
| C12 | C11 | H14 | 119.9° | 119.9° |
| C11 | C12 | H15 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.0° | 119.9° |
| C11 | C10 | H13 | 120.0° | 120.1° |
| C10 | C11 | H14 | 120.0° | 120.0° |
| C12 | C13 | C21 | 120.5° | 119.9° |
| C12 | C13 | C14 | 120.1° | 120.1° |
| C13 | C12 | H15 | 120.1° | 119.9° |
| C22 | C21 | C13 | 109.3° | 109.5° |
| C22 | C21 | H1 | 109.5° | 109.5° |
| C22 | C21 | H2 | 109.5° | 109.5° |
| C21 | C22 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.4° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C10 | C09 | C14 | 119.9° | 119.9° |
| C10 | C09 | N08 | 120.4° | 120.0° |
| C09 | C10 | H13 | 120.0° | 120.0° |
| C21 | C13 | C14 | 119.4° | 119.9° |
| C13 | C21 | H1 | 109.5° | 109.5° |
| C13 | C21 | H2 | 109.5° | 109.5° |
| C13 | C14 | C09 | 120.1° | 119.9° |
| C13 | C14 | H16 | 119.9° | 120.1° |
| C14 | C09 | N08 | 119.7° | 120.1° |
| C09 | C14 | H16 | 119.9° | 120.0° |
| C09 | N08 | C04 | 125.8° | 111.0° |
| C09 | N08 | N07 | 127.6° | 111.0° |
| N01 | C02 | C03 | 109.8° | 109.5° |
| N01 | C02 | C18 | 109.6° | 109.5° |
| N01 | C02 | H6 | 110.8° | 109.5° |
| C02 | N01 | H17 | 109.5° | 111.0° |
| C02 | N01 | H18 | 109.5° | 111.0° |
| C04 | N08 | N07 | 106.6° | 105.9° |
| N08 | C04 | C03 | 108.0° | 110.8° |
| N08 | C04 | C05 | 104.7° | 102.2° |
| N08 | C04 | H9 | 110.6° | 111.0° |
| N08 | N07 | C06 | 111.1° | 108.4° |
| N08 | N07 | H20 | 109.1° | 111.0° |
| C03 | C04 | C05 | 111.1° | 110.9° |
| C04 | C03 | C02 | 111.0° | 109.4° |
| C04 | C03 | H7 | 109.1° | 109.5° |
| C04 | C03 | H8 | 109.1° | 109.5° |
| C03 | C04 | H9 | 112.1° | 110.8° |
| C04 | C05 | C06 | 105.4° | 102.5° |
| C05 | C04 | H9 | 110.0° | 110.9° |
| C04 | C05 | H10 | 110.5° | 110.8° |
| C04 | C05 | H11 | 110.5° | 110.8° |
| N07 | C06 | C05 | 110.5° | 105.9° |
| N07 | C06 | C15 | 120.6° | 110.2° |
| N07 | C06 | H12 | 100.0° | 110.3° |
| C06 | N07 | H20 | 109.1° | 111.0° |
| C03 | C02 | C18 | 107.1° | 109.4° |
| C03 | C02 | H6 | 109.8° | 109.5° |
| C02 | C03 | H7 | 109.1° | 109.5° |
| C02 | C03 | H8 | 109.1° | 109.5° |
| C02 | C18 | O20 | 120.2° | 120.0° |
| C02 | C18 | O19 | 119.6° | 120.0° |
| C18 | C02 | H6 | 109.7° | 109.5° |
| O20 | C18 | O19 | 120.1° | 120.0° |
| C05 | C06 | C15 | 119.7° | 110.1° |
| C06 | C05 | H10 | 110.5° | 110.8° |
| C06 | C05 | H11 | 110.5° | 110.8° |
| C05 | C06 | H12 | 100.8° | 110.2° |
| C06 | C15 | O17 | 120.3° | 120.0° |
| C06 | C15 | O16 | 119.7° | 120.0° |
| C15 | C06 | H12 | 99.6° | 110.1° |
| C18 | O19 | H23 | 109.5° | 117.0° |
| O17 | C15 | O16 | 119.9° | 120.0° |
| C15 | O16 | H22 | 109.5° | 117.0° |
| H1 | C21 | H2 | 109.4° | 109.4° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.4° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.4° | 110.8° |
| H17 | N01 | H18 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.3° |
| C11 | C12 | C13 | C21 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C09 | H13 | 180.0° | 179.8° |
| C11 | C10 | C09 | C14 | 0.1° | 0.2° |
| C11 | C10 | C09 | N08 | 179.7° | 179.8° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C12 | C13 | C21 | C22 | 5.9° | 89.7° |
| C12 | C13 | C21 | C14 | 179.9° | 179.7° |
| C12 | C13 | C14 | C09 | 0.1° | 0.3° |
| C12 | C13 | C21 | H1 | 114.1° | 30.3° |
| C12 | C13 | C21 | H2 | 125.9° | 150.3° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H16 | 179.9° | 179.8° |
| C22 | C21 | C13 | H1 | 120.0° | 120.1° |
| C22 | C21 | C13 | H2 | 120.0° | 120.0° |
| C22 | C21 | C13 | C14 | 174.2° | 90.0° |
| C22 | C21 | H1 | H2 | 120.1° | 120.0° |
| C21 | C22 | H3 | H4 | 120.0° | 120.0° |
| C21 | C22 | H3 | H5 | 120.0° | 120.0° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C10 | C09 | C14 | C13 | 0.1° | 0.1° |
| C10 | C09 | C14 | N08 | 179.7° | 180.0° |
| C10 | C09 | N08 | C04 | 48.6° | 18.1° |
| C10 | C09 | N08 | N07 | 133.0° | 135.6° |
| C09 | C10 | C11 | H14 | 180.0° | 179.7° |
| C10 | C09 | C14 | H16 | 179.9° | 180.0° |
| C21 | C13 | C14 | C09 | 180.0° | 180.0° |
| C13 | C21 | H1 | H2 | 120.1° | 120.0° |
| C13 | C21 | C22 | H3 | 180.0° | 60.0° |
| C13 | C21 | C22 | H4 | 60.0° | 180.0° |
| C13 | C21 | C22 | H5 | 60.0° | 60.0° |
| C21 | C13 | C12 | H15 | 0.1° | 0.0° |
| C21 | C13 | C14 | H16 | 0.0° | 0.1° |
| C13 | C14 | C09 | H16 | 180.0° | 179.9° |
| C13 | C14 | C09 | N08 | 179.8° | 179.9° |
| C14 | C13 | C21 | H1 | 65.8° | 150.0° |
| C14 | C13 | C21 | H2 | 54.2° | 30.0° |
| C14 | C13 | C12 | H15 | 179.9° | 179.7° |
| C14 | C09 | N08 | C04 | 131.0° | 161.9° |
| C14 | C09 | N08 | N07 | 47.4° | 44.4° |
| C14 | C09 | C10 | H13 | 179.9° | 180.0° |
| C09 | N08 | C04 | N07 | 178.7° | 120.5° |
| C09 | N08 | C04 | C03 | 49.4° | 83.2° |
| C09 | N08 | C04 | C05 | 167.8° | 158.6° |
| C09 | N08 | N07 | C06 | 165.3° | 145.8° |
| C09 | N08 | C04 | H9 | 73.7° | 40.4° |
| N08 | C09 | C10 | H13 | 0.3° | 0.0° |
| N08 | C09 | C14 | H16 | 0.2° | 0.0° |
| C09 | N08 | N07 | H20 | 45.0° | 92.0° |
| N01 | C02 | C03 | C04 | 74.6° | 65.3° |
| N01 | C02 | C03 | C18 | 118.9° | 120.0° |
| N01 | C02 | C03 | H6 | 122.0° | 120.0° |
| N01 | C02 | C18 | H6 | 121.8° | 120.0° |
| N01 | C02 | C18 | O20 | 1.3° | 19.7° |
| N01 | C02 | C18 | O19 | 178.5° | 160.0° |
| N01 | C02 | C03 | H7 | 45.6° | 174.8° |
| N01 | C02 | C03 | H8 | 165.2° | 54.7° |
| C02 | N01 | H17 | H18 | 120.0° | 124.0° |
| N08 | C04 | C03 | C05 | 114.3° | 112.7° |
| N08 | C04 | C03 | H9 | 122.1° | 123.7° |
| N08 | C04 | C05 | H9 | 118.9° | 118.4° |
| C04 | N08 | N07 | C06 | 13.4° | 25.3° |
| N08 | C04 | C03 | C02 | 173.1° | 178.9° |
| N08 | C04 | C05 | C06 | 4.2° | 36.0° |
| N08 | C04 | C03 | H7 | 52.9° | 59.0° |
| N08 | C04 | C03 | H8 | 66.7° | 61.1° |
| N08 | C04 | C05 | H10 | 123.6° | 154.2° |
| N08 | C04 | C05 | H11 | 115.1° | 82.4° |
| C04 | N08 | N07 | H20 | 133.6° | 147.5° |
| N07 | N08 | C04 | C03 | 129.3° | 156.3° |
| N07 | N08 | C04 | C05 | 10.9° | 38.1° |
| N08 | N07 | C06 | H20 | 120.3° | 122.2° |
| N08 | N07 | C06 | C05 | 11.2° | 1.5° |
| N08 | N07 | C06 | C15 | 135.6° | 117.5° |
| N07 | N08 | C04 | H9 | 107.6° | 80.1° |
| N08 | N07 | C06 | H12 | 116.8° | 120.7° |
| C03 | C04 | C05 | H9 | 124.7° | 123.5° |
| C04 | C03 | C02 | H7 | 120.2° | 120.0° |
| C04 | C03 | C02 | H8 | 120.2° | 120.0° |
| C04 | C03 | C02 | C18 | 166.5° | 174.7° |
| C03 | C04 | C05 | C06 | 120.6° | 154.1° |
| C04 | C03 | C02 | H6 | 47.4° | 54.7° |
| C04 | C03 | H7 | H8 | 119.3° | 120.0° |
| C03 | C04 | C05 | H10 | 120.0° | 87.7° |
| C03 | C04 | C05 | H11 | 1.3° | 35.8° |
| C04 | C05 | C06 | N07 | 3.4° | 21.4° |
| C05 | C04 | C03 | C02 | 72.6° | 66.2° |
| C04 | C05 | C06 | H10 | 119.4° | 118.2° |
| C04 | C05 | C06 | H11 | 119.4° | 118.3° |
| C04 | C05 | C06 | C15 | 143.8° | 140.5° |
| C05 | C04 | C03 | H7 | 167.2° | 53.8° |
| C05 | C04 | C03 | H8 | 47.7° | 173.8° |
| C04 | C05 | H10 | H11 | 121.9° | 123.4° |
| C04 | C05 | C06 | H12 | 108.4° | 97.8° |
| N07 | C06 | C05 | C15 | 147.1° | 119.1° |
| N07 | C06 | C05 | H12 | 105.1° | 119.2° |
| N07 | C06 | C15 | H12 | 107.8° | 121.8° |
| N07 | C06 | C15 | O17 | 3.2° | 16.5° |
| N07 | C06 | C15 | O16 | 176.5° | 163.5° |
| N07 | C06 | C05 | H10 | 116.0° | 139.6° |
| N07 | C06 | C05 | H11 | 122.7° | 96.9° |
| C03 | C02 | C18 | H6 | 119.1° | 120.0° |
| C03 | C02 | C18 | O20 | 120.4° | 100.3° |
| C03 | C02 | C18 | O19 | 59.4° | 80.0° |
| C02 | C03 | H7 | H8 | 119.3° | 120.0° |
| C02 | C03 | C04 | H9 | 51.0° | 57.3° |
| C03 | C02 | N01 | H17 | 180.0° | 64.8° |
| C03 | C02 | N01 | H18 | 60.0° | 171.3° |
| C02 | C18 | O20 | O19 | 179.8° | 179.7° |
| C18 | C02 | C03 | H7 | 73.3° | 54.7° |
| C18 | C02 | C03 | H8 | 46.2° | 65.4° |
| C18 | C02 | N01 | H17 | 62.6° | 55.2° |
| C18 | C02 | N01 | H18 | 177.4° | 68.7° |
| C02 | C18 | O19 | H23 | 179.8° | 180.0° |
| O20 | C18 | C02 | H6 | 120.5° | 139.7° |
| O20 | C18 | O19 | H23 | 0.0° | 0.3° |
| C05 | C06 | C15 | H12 | 108.5° | 121.7° |
| C05 | C06 | C15 | O17 | 140.5° | 100.0° |
| C05 | C06 | C15 | O16 | 39.7° | 80.0° |
| C06 | C05 | C04 | H9 | 114.6° | 82.4° |
| C06 | C05 | H10 | H11 | 121.9° | 123.5° |
| C05 | C06 | N07 | H20 | 131.5° | 123.7° |
| C06 | C15 | O17 | O16 | 179.8° | 179.9° |
| C15 | C06 | C05 | H10 | 96.9° | 101.3° |
| C15 | C06 | C05 | H11 | 24.4° | 22.2° |
| C15 | C06 | N07 | H20 | 15.3° | 4.6° |
| C06 | C15 | O16 | H22 | 179.8° | 180.0° |
| O19 | C18 | C02 | H6 | 59.7° | 40.0° |
| O17 | C15 | C06 | H12 | 111.0° | 138.3° |
| O17 | C15 | O16 | H22 | 0.0° | 0.0° |
| O16 | C15 | C06 | H12 | 68.8° | 41.7° |
| H1 | C21 | C22 | H3 | 60.0° | 60.0° |
| H1 | C21 | C22 | H4 | 60.0° | 60.0° |
| H1 | C21 | C22 | H5 | 180.0° | 180.0° |
| H2 | C21 | C22 | H3 | 60.0° | 180.0° |
| H2 | C21 | C22 | H4 | 180.0° | 60.0° |
| H2 | C21 | C22 | H5 | 60.0° | 60.0° |
| H3 | C22 | H4 | H5 | 120.0° | 120.0° |
| H6 | C02 | C03 | H7 | 167.6° | 65.3° |
| H6 | C02 | C03 | H8 | 72.8° | 174.7° |
| H6 | C02 | N01 | H17 | 58.6° | 175.3° |
| H6 | C02 | N01 | H18 | 61.4° | 51.3° |
| H7 | C03 | C04 | H9 | 69.3° | 177.3° |
| H8 | C03 | C04 | H9 | 171.2° | 62.6° |
| H9 | C04 | C05 | H10 | 4.7° | 35.8° |
| H9 | C04 | C05 | H11 | 126.0° | 159.3° |
| H10 | C05 | C06 | H12 | 10.9° | 20.4° |
| H11 | C05 | C06 | H12 | 132.2° | 143.9° |
| H12 | C06 | N07 | H20 | 122.9° | 117.1° |
| H13 | C10 | C11 | H14 | 0.0° | 0.0° |
| H14 | C11 | C12 | H15 | 0.0° | 0.0° |
