22N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C81 | C82 | sing | 1.53Å | 1.51Å | |
| C81 | C8 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C91 | sing | 1.53Å | 1.52Å | |
| C8 | O7 | sing | 1.43Å | 1.39Å | |
| O7 | C6 | sing | 1.43Å | 1.38Å | |
| C6 | C7 | sing | 1.50Å | 1.41Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C7 | C2 | doub | 1.32Å | 1.39Å | |
| C5 | C4 | sing | 1.53Å | 1.48Å | |
| C5 | N5 | sing | 1.47Å | 1.48Å | |
| O1A | C1 | doub | 1.22Å | 1.21Å | |
| C2 | C1 | sing | 1.47Å | 1.37Å | |
| C2 | C3 | sing | 1.50Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C4 | N4 | sing | 1.47Å | 1.46Å | |
| C1 | O1B | sing | 1.35Å | 1.21Å | |
| O10 | C10 | doub | 1.21Å | 1.20Å | |
| N5 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C81 | H15 | sing | 1.09Å | 1.10Å | |
| C81 | H16 | sing | 1.09Å | 1.10Å | |
| C82 | H17 | sing | 1.09Å | 1.10Å | |
| C82 | H18 | sing | 1.09Å | 1.10Å | |
| C82 | H19 | sing | 1.09Å | 1.10Å | |
| C91 | H20 | sing | 1.09Å | 1.10Å | |
| C91 | H21 | sing | 1.09Å | 1.10Å | |
| C91 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| N4 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C82 | C81 | C8 | 108.6° | 109.5° |
| C82 | C81 | H15 | 109.7° | 109.4° |
| C82 | C81 | H16 | 109.7° | 109.5° |
| C81 | C82 | H17 | 109.5° | 109.4° |
| C81 | C82 | H18 | 109.5° | 109.4° |
| C81 | C82 | H19 | 109.5° | 109.5° |
| C81 | C8 | C9 | 109.6° | 109.5° |
| C81 | C8 | O7 | 109.3° | 109.5° |
| C81 | C8 | H12 | 109.8° | 109.5° |
| C8 | C81 | H15 | 109.7° | 109.4° |
| C8 | C81 | H16 | 109.7° | 109.5° |
| C8 | C9 | C91 | 108.6° | 109.5° |
| C9 | C8 | O7 | 107.5° | 109.5° |
| C9 | C8 | H12 | 109.3° | 109.5° |
| C8 | C9 | H13 | 109.7° | 109.5° |
| C8 | C9 | H14 | 109.7° | 109.4° |
| C91 | C9 | H13 | 109.7° | 109.5° |
| C91 | C9 | H14 | 109.7° | 109.5° |
| C9 | C91 | H20 | 109.5° | 109.5° |
| C9 | C91 | H21 | 109.5° | 109.5° |
| C9 | C91 | H22 | 109.4° | 109.5° |
| C8 | O7 | C6 | 117.8° | 114.0° |
| O7 | C8 | H12 | 111.4° | 109.5° |
| O7 | C6 | C7 | 111.1° | 109.4° |
| O7 | C6 | C5 | 114.0° | 109.7° |
| O7 | C6 | H10 | 108.5° | 109.3° |
| C7 | C6 | C5 | 108.5° | 110.2° |
| C6 | C7 | C2 | 122.8° | 123.8° |
| C7 | C6 | H10 | 108.1° | 109.3° |
| C6 | C7 | H11 | 118.6° | 118.1° |
| C6 | C5 | C4 | 107.8° | 108.5° |
| C6 | C5 | N5 | 121.3° | 109.6° |
| C6 | C5 | H5 | 105.6° | 109.8° |
| C5 | C6 | H10 | 106.3° | 108.9° |
| C7 | C2 | C1 | 119.8° | 118.1° |
| C7 | C2 | C3 | 122.7° | 123.8° |
| C2 | C7 | H11 | 118.6° | 118.1° |
| C4 | C5 | N5 | 108.2° | 109.6° |
| C5 | C4 | C3 | 107.7° | 108.5° |
| C5 | C4 | N4 | 111.4° | 109.6° |
| C5 | C4 | H4 | 108.5° | 109.7° |
| C4 | C5 | H5 | 106.5° | 109.6° |
| C5 | N5 | C10 | 133.1° | 120.0° |
| N5 | C5 | H5 | 106.5° | 109.6° |
| C5 | N5 | H6 | 113.4° | 120.0° |
| O1A | C1 | C2 | 122.6° | 120.0° |
| O1A | C1 | O1B | 118.3° | 120.0° |
| C1 | C2 | C3 | 117.3° | 118.1° |
| C2 | C1 | O1B | 119.1° | 120.0° |
| C2 | C3 | C4 | 113.2° | 110.1° |
| C2 | C3 | H2 | 108.5° | 109.4° |
| C2 | C3 | H3 | 108.5° | 109.3° |
| C3 | C4 | N4 | 112.1° | 109.7° |
| C4 | C3 | H2 | 108.5° | 109.3° |
| C4 | C3 | H3 | 108.5° | 109.3° |
| C3 | C4 | H4 | 108.3° | 109.6° |
| N4 | C4 | H4 | 108.7° | 109.6° |
| C4 | N4 | H23 | 109.5° | 111.0° |
| C4 | N4 | H24 | 109.4° | 111.0° |
| C1 | O1B | H1 | 109.5° | 117.0° |
| O10 | C10 | N5 | 126.9° | 120.0° |
| O10 | C10 | C11 | 117.0° | 120.0° |
| N5 | C10 | C11 | 116.1° | 120.0° |
| C10 | N5 | H6 | 113.4° | 120.0° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.4° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C81 | H16 | 109.5° | 109.5° |
| H17 | C82 | H18 | 109.5° | 109.5° |
| H17 | C82 | H19 | 109.5° | 109.5° |
| H18 | C82 | H19 | 109.4° | 109.5° |
| H20 | C91 | H21 | 109.5° | 109.4° |
| H20 | C91 | H22 | 109.5° | 109.4° |
| H21 | C91 | H22 | 109.4° | 109.5° |
| H23 | N4 | H24 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C82 | C81 | C8 | H15 | 119.8° | 119.9° |
| C82 | C81 | C8 | H16 | 119.9° | 120.0° |
| C82 | C81 | C8 | C9 | 62.5° | 175.0° |
| C82 | C81 | C8 | O7 | 55.0° | 65.0° |
| C82 | C81 | C8 | H12 | 177.4° | 55.0° |
| C82 | C81 | H15 | H16 | 120.4° | 120.0° |
| C81 | C82 | H17 | H18 | 120.0° | 120.0° |
| C81 | C82 | H17 | H19 | 120.0° | 120.0° |
| C81 | C82 | H18 | H19 | 120.0° | 120.0° |
| C81 | C8 | C9 | O7 | 118.7° | 120.0° |
| C81 | C8 | C9 | H12 | 120.3° | 120.0° |
| C81 | C8 | C9 | C91 | 166.9° | 175.0° |
| C81 | C8 | O7 | H12 | 121.4° | 120.0° |
| C81 | C8 | O7 | C6 | 81.4° | 90.0° |
| C81 | C8 | C9 | H13 | 47.0° | 65.0° |
| C81 | C8 | C9 | H14 | 73.3° | 55.0° |
| C8 | C81 | H15 | H16 | 120.4° | 120.0° |
| C8 | C81 | C82 | H17 | 180.0° | 60.0° |
| C8 | C81 | C82 | H18 | 60.0° | 60.0° |
| C8 | C81 | C82 | H19 | 60.0° | 180.0° |
| C8 | C9 | C91 | H13 | 119.8° | 120.0° |
| C8 | C9 | C91 | H14 | 119.9° | 119.9° |
| C9 | C8 | O7 | H12 | 119.7° | 120.0° |
| C9 | C8 | O7 | C6 | 159.7° | 150.0° |
| C8 | C9 | H13 | H14 | 120.4° | 120.0° |
| C9 | C8 | C81 | H15 | 177.6° | 55.1° |
| C9 | C8 | C81 | H16 | 57.3° | 65.0° |
| C8 | C9 | C91 | H20 | 180.0° | 60.0° |
| C8 | C9 | C91 | H21 | 60.0° | 60.0° |
| C8 | C9 | C91 | H22 | 60.0° | 180.0° |
| C91 | C9 | C8 | O7 | 74.5° | 65.0° |
| C91 | C9 | C8 | H12 | 46.5° | 55.0° |
| C91 | C9 | H13 | H14 | 120.4° | 120.1° |
| C9 | C91 | H20 | H21 | 120.0° | 120.0° |
| C9 | C91 | H20 | H22 | 120.0° | 120.0° |
| C9 | C91 | H21 | H22 | 119.9° | 120.0° |
| C8 | O7 | C6 | C7 | 116.0° | 90.0° |
| C8 | O7 | C6 | C5 | 121.0° | 149.0° |
| C8 | O7 | C6 | H10 | 2.8° | 29.7° |
| O7 | C8 | C9 | H13 | 165.7° | 55.0° |
| O7 | C8 | C9 | H14 | 45.4° | 175.0° |
| O7 | C8 | C81 | H15 | 64.8° | 175.1° |
| O7 | C8 | C81 | H16 | 174.9° | 55.0° |
| O7 | C6 | C7 | C5 | 126.1° | 120.7° |
| O7 | C6 | C7 | H10 | 119.0° | 119.6° |
| O7 | C6 | C5 | H10 | 119.5° | 119.6° |
| O7 | C6 | C7 | C2 | 144.1° | 137.4° |
| O7 | C6 | C5 | C4 | 179.3° | 170.0° |
| O7 | C6 | C5 | N5 | 53.9° | 50.3° |
| O7 | C6 | C5 | H5 | 67.2° | 70.1° |
| O7 | C6 | C7 | H11 | 36.0° | 42.2° |
| C6 | O7 | C8 | H12 | 40.0° | 30.0° |
| C7 | C6 | C5 | H10 | 116.1° | 120.0° |
| C6 | C7 | C2 | H11 | 180.0° | 179.6° |
| C7 | C6 | C5 | C4 | 54.9° | 49.5° |
| C7 | C6 | C5 | N5 | 70.5° | 70.1° |
| C6 | C7 | C2 | C1 | 169.6° | 179.8° |
| C6 | C7 | C2 | C3 | 5.4° | 0.1° |
| C7 | C6 | C5 | H5 | 168.4° | 169.4° |
| C5 | C6 | C7 | C2 | 17.9° | 16.7° |
| C6 | C5 | C4 | N5 | 132.9° | 119.7° |
| C6 | C5 | C4 | H5 | 112.9° | 120.0° |
| C6 | C5 | N5 | H5 | 120.6° | 120.6° |
| C6 | C5 | C4 | C3 | 69.5° | 68.0° |
| C6 | C5 | C4 | N4 | 167.2° | 172.2° |
| C6 | C5 | N5 | C10 | 9.0° | 86.0° |
| C6 | C5 | C4 | H4 | 47.5° | 51.7° |
| C6 | C5 | N5 | H6 | 171.0° | 94.0° |
| C5 | C6 | C7 | H11 | 162.1° | 162.9° |
| C7 | C2 | C1 | O1A | 16.5° | 0.0° |
| C7 | C2 | C1 | C3 | 175.3° | 179.7° |
| C7 | C2 | C3 | C4 | 8.4° | 16.9° |
| C7 | C2 | C1 | O1B | 163.3° | 179.8° |
| C7 | C2 | C3 | H2 | 112.2° | 103.3° |
| C7 | C2 | C3 | H3 | 129.0° | 137.0° |
| C2 | C7 | C6 | H10 | 97.0° | 103.0° |
| C4 | C5 | N5 | H5 | 114.2° | 120.4° |
| C5 | C4 | C3 | C2 | 45.6° | 49.7° |
| C5 | C4 | C3 | N4 | 122.9° | 119.8° |
| C5 | C4 | C3 | H4 | 117.2° | 119.8° |
| C5 | C4 | N4 | H4 | 119.6° | 120.5° |
| C4 | C5 | N5 | C10 | 134.2° | 155.0° |
| C5 | C4 | C3 | H2 | 74.9° | 70.5° |
| C5 | C4 | C3 | H3 | 166.1° | 169.8° |
| C4 | C5 | N5 | H6 | 45.8° | 25.0° |
| C4 | C5 | C6 | H10 | 61.2° | 70.4° |
| C5 | C4 | N4 | H23 | 180.0° | 179.0° |
| C5 | C4 | N4 | H24 | 60.0° | 57.0° |
| N5 | C5 | C4 | C3 | 63.4° | 51.7° |
| N5 | C5 | C4 | N4 | 59.9° | 68.1° |
| C5 | N5 | C10 | O10 | 1.5° | 0.0° |
| C5 | N5 | C10 | H6 | 180.0° | 180.0° |
| C5 | N5 | C10 | C11 | 179.2° | 180.0° |
| N5 | C5 | C4 | H4 | 179.6° | 171.4° |
| N5 | C5 | C6 | H10 | 173.4° | 169.9° |
| O1A | C1 | C2 | O1B | 179.8° | 179.8° |
| O1A | C1 | C2 | C3 | 168.2° | 179.7° |
| O1A | C1 | O1B | H1 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 176.4° | 162.8° |
| C2 | C1 | O1B | H1 | 179.9° | 179.8° |
| C1 | C2 | C3 | H2 | 63.0° | 77.0° |
| C1 | C2 | C3 | H3 | 55.9° | 42.7° |
| C1 | C2 | C7 | H11 | 10.4° | 0.6° |
| C2 | C3 | C4 | H2 | 120.5° | 120.2° |
| C2 | C3 | C4 | H3 | 120.5° | 120.1° |
| C2 | C3 | C4 | N4 | 168.5° | 169.5° |
| C3 | C2 | C1 | O1B | 12.0° | 0.0° |
| C2 | C3 | H2 | H3 | 118.2° | 119.7° |
| C2 | C3 | C4 | H4 | 71.5° | 70.1° |
| C3 | C2 | C7 | H11 | 174.6° | 179.7° |
| C3 | C4 | N4 | H4 | 119.7° | 120.4° |
| C4 | C3 | H2 | H3 | 118.3° | 119.6° |
| C3 | C4 | C5 | H5 | 177.6° | 172.0° |
| C3 | C4 | N4 | H23 | 59.3° | 60.0° |
| C3 | C4 | N4 | H24 | 179.3° | 176.1° |
| N4 | C4 | C3 | H2 | 48.0° | 49.3° |
| N4 | C4 | C3 | H3 | 71.0° | 70.4° |
| N4 | C4 | C5 | H5 | 54.3° | 52.2° |
| C4 | N4 | H23 | H24 | 120.0° | 124.0° |
| O10 | C10 | N5 | C11 | 179.3° | 180.0° |
| O10 | C10 | N5 | H6 | 178.5° | 180.0° |
| O10 | C10 | C11 | H7 | 0.0° | 179.9° |
| O10 | C10 | C11 | H8 | 120.0° | 60.0° |
| O10 | C10 | C11 | H9 | 120.0° | 60.0° |
| C10 | N5 | C5 | H5 | 111.6° | 34.6° |
| N5 | C10 | C11 | H7 | 179.3° | 0.0° |
| N5 | C10 | C11 | H8 | 60.7° | 120.0° |
| N5 | C10 | C11 | H9 | 59.3° | 120.0° |
| C11 | C10 | N5 | H6 | 0.8° | 0.0° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 119.9° |
| C10 | C11 | H8 | H9 | 120.0° | 119.9° |
| H2 | C3 | C4 | H4 | 167.9° | 169.7° |
| H3 | C3 | C4 | H4 | 49.0° | 50.0° |
| H4 | C4 | C5 | H5 | 65.4° | 68.2° |
| H4 | C4 | N4 | H23 | 60.4° | 60.4° |
| H4 | C4 | N4 | H24 | 59.5° | 63.6° |
| H5 | C5 | N5 | H6 | 68.4° | 145.4° |
| H5 | C5 | C6 | H10 | 52.4° | 49.4° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H10 | C6 | C7 | H11 | 83.0° | 77.4° |
| H12 | C8 | C9 | H13 | 73.3° | 175.0° |
| H12 | C8 | C9 | H14 | 166.4° | 65.0° |
| H12 | C8 | C81 | H15 | 57.6° | 65.0° |
| H12 | C8 | C81 | H16 | 62.7° | 175.0° |
| H13 | C9 | C91 | H20 | 60.2° | 180.0° |
| H13 | C9 | C91 | H21 | 179.8° | 60.0° |
| H13 | C9 | C91 | H22 | 59.9° | 60.0° |
| H14 | C9 | C91 | H20 | 60.1° | 59.9° |
| H14 | C9 | C91 | H21 | 59.9° | 179.9° |
| H14 | C9 | C91 | H22 | 179.8° | 60.0° |
| H15 | C81 | C82 | H17 | 60.1° | 180.0° |
| H15 | C81 | C82 | H18 | 59.9° | 60.0° |
| H15 | C81 | C82 | H19 | 179.9° | 60.0° |
| H16 | C81 | C82 | H17 | 60.2° | 60.0° |
| H16 | C81 | C82 | H18 | 179.8° | 180.0° |
| H16 | C81 | C82 | H19 | 59.9° | 60.0° |
| H17 | C82 | H18 | H19 | 120.0° | 120.0° |
| H20 | C91 | H21 | H22 | 120.0° | 119.9° |
