7Z3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C6 | sing | 1.40Å | 1.49Å | |
| N2 | C7 | sing | 1.48Å | 1.48Å | |
| N2 | C10 | sing | 1.49Å | 1.49Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C10 | sing | 1.55Å | 1.49Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| N1 | H11N | sing | 1.01Å | 1.00Å | |
| N1 | H12N | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 113.1° | 109.5° |
| N1 | C1 | H11C | 108.5° | 109.4° |
| N1 | C1 | H12C | 108.6° | 109.4° |
| C1 | N1 | H11N | 109.5° | 111.1° |
| C1 | N1 | H12N | 109.5° | 111.0° |
| C1 | C2 | C3 | 117.5° | 120.0° |
| C1 | C2 | C11 | 122.5° | 120.0° |
| C2 | C1 | H11C | 108.6° | 109.5° |
| C2 | C1 | H12C | 108.5° | 109.5° |
| C3 | C2 | C11 | 119.4° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.2° |
| C2 | C3 | H3 | 120.7° | 119.9° |
| C2 | C11 | C6 | 121.3° | 119.9° |
| C2 | C11 | H11 | 119.3° | 120.0° |
| C6 | N2 | C7 | 115.4° | 111.0° |
| C6 | N2 | C10 | 116.5° | 111.0° |
| N2 | C6 | C5 | 121.0° | 120.0° |
| N2 | C6 | C11 | 118.9° | 120.1° |
| C7 | N2 | C10 | 114.7° | 105.8° |
| N2 | C7 | C8 | 100.8° | 107.1° |
| N2 | C7 | H71C | 111.6° | 109.9° |
| N2 | C7 | H72C | 111.6° | 109.9° |
| N2 | C10 | C9 | 102.3° | 103.2° |
| N2 | C10 | H101 | 111.2° | 110.7° |
| N2 | C10 | H102 | 111.2° | 110.7° |
| C3 | C4 | C5 | 122.1° | 120.1° |
| C4 | C3 | H3 | 120.7° | 119.9° |
| C3 | C4 | H4 | 118.9° | 120.0° |
| C4 | C5 | C6 | 118.2° | 119.9° |
| C5 | C4 | H4 | 119.0° | 119.9° |
| C4 | C5 | H5 | 120.9° | 120.0° |
| C5 | C6 | C11 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.9° | 120.1° |
| C6 | C11 | H11 | 119.3° | 120.0° |
| C7 | C8 | C9 | 108.3° | 105.1° |
| C8 | C7 | H71C | 111.6° | 109.9° |
| C8 | C7 | H72C | 111.6° | 109.9° |
| C7 | C8 | H81C | 109.8° | 110.4° |
| C7 | C8 | H82C | 109.7° | 110.3° |
| C8 | C9 | C10 | 108.7° | 102.9° |
| C9 | C8 | H81C | 109.7° | 110.3° |
| C9 | C8 | H82C | 109.8° | 110.3° |
| C8 | C9 | H91C | 109.7° | 110.7° |
| C8 | C9 | H92C | 109.6° | 110.8° |
| C9 | C10 | H101 | 111.2° | 110.7° |
| C9 | C10 | H102 | 111.2° | 110.7° |
| C10 | C9 | H91C | 109.7° | 110.7° |
| C10 | C9 | H92C | 109.7° | 110.7° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11N | N1 | H12N | 109.4° | 111.0° |
| H71C | C7 | H72C | 109.5° | 110.0° |
| H101 | C10 | H102 | 109.4° | 110.7° |
| H81C | C8 | H82C | 109.5° | 110.4° |
| H91C | C9 | H92C | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H11C | 120.5° | 120.0° |
| N1 | C1 | C2 | H12C | 120.5° | 120.0° |
| N1 | C1 | C2 | C3 | 129.0° | 90.0° |
| N1 | C1 | C2 | C11 | 42.7° | 90.3° |
| N1 | C1 | H11C | H12C | 118.4° | 119.9° |
| C1 | N1 | H11N | H12N | 120.0° | 124.0° |
| C1 | C2 | C3 | C11 | 172.0° | 179.7° |
| C1 | C2 | C3 | C4 | 178.0° | 179.9° |
| C1 | C2 | C11 | C6 | 174.9° | 179.8° |
| C2 | C1 | H11C | H12C | 118.3° | 120.1° |
| C2 | C1 | N1 | H11N | 180.0° | 180.0° |
| C2 | C1 | N1 | H12N | 60.0° | 56.0° |
| C1 | C2 | C3 | H3 | 2.0° | 0.0° |
| C1 | C2 | C11 | H11 | 5.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 5.7° | 0.1° |
| C3 | C2 | C11 | C6 | 3.4° | 0.5° |
| C3 | C2 | C1 | H11C | 8.5° | 30.0° |
| C3 | C2 | C1 | H12C | 110.5° | 150.0° |
| C3 | C2 | C11 | H11 | 176.6° | 179.8° |
| C2 | C3 | C4 | H4 | 174.3° | 180.0° |
| C2 | C11 | C6 | N2 | 179.8° | 179.7° |
| C11 | C2 | C3 | C4 | 6.0° | 0.2° |
| C2 | C11 | C6 | C5 | 0.2° | 0.5° |
| C2 | C11 | C6 | H11 | 180.0° | 179.7° |
| C11 | C2 | C1 | H11C | 163.2° | 149.7° |
| C11 | C2 | C1 | H12C | 77.8° | 29.7° |
| C11 | C2 | C3 | H3 | 174.0° | 179.8° |
| C6 | N2 | C7 | C10 | 139.6° | 120.5° |
| N2 | C6 | C5 | C4 | 179.7° | 180.0° |
| N2 | C6 | C5 | C11 | 180.0° | 179.7° |
| C6 | N2 | C7 | C8 | 163.0° | 145.8° |
| C6 | N2 | C10 | C9 | 155.2° | 159.7° |
| N2 | C6 | C11 | H11 | 0.2° | 0.0° |
| C6 | N2 | C7 | H71C | 44.4° | 26.4° |
| C6 | N2 | C7 | H72C | 78.4° | 94.8° |
| C6 | N2 | C10 | H101 | 85.9° | 81.8° |
| C6 | N2 | C10 | H102 | 36.4° | 41.2° |
| N2 | C6 | C5 | H5 | 0.3° | 0.0° |
| C7 | N2 | C6 | C5 | 15.4° | 35.5° |
| C7 | N2 | C6 | C11 | 164.6° | 144.7° |
| N2 | C7 | C8 | H71C | 118.6° | 119.4° |
| N2 | C7 | C8 | H72C | 118.6° | 119.4° |
| N2 | C7 | C8 | C9 | 20.7° | 1.2° |
| C7 | N2 | C10 | C9 | 16.0° | 39.2° |
| N2 | C7 | H71C | H72C | 124.0° | 121.2° |
| C7 | N2 | C10 | H101 | 134.9° | 157.6° |
| C7 | N2 | C10 | H102 | 102.8° | 79.3° |
| N2 | C7 | C8 | H81C | 140.5° | 120.1° |
| N2 | C7 | C8 | H82C | 99.1° | 117.7° |
| C10 | N2 | C6 | C5 | 154.3° | 152.9° |
| C10 | N2 | C6 | C11 | 25.7° | 27.4° |
| C10 | N2 | C7 | C8 | 23.3° | 25.3° |
| N2 | C10 | C9 | C8 | 1.4° | 37.5° |
| N2 | C10 | C9 | H101 | 118.8° | 118.4° |
| N2 | C10 | C9 | H102 | 118.9° | 118.5° |
| C10 | N2 | C7 | H71C | 95.3° | 94.0° |
| C10 | N2 | C7 | H72C | 141.9° | 144.7° |
| N2 | C10 | H101 | H102 | 123.3° | 123.1° |
| N2 | C10 | C9 | H91C | 121.3° | 155.8° |
| N2 | C10 | C9 | H92C | 118.4° | 80.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.6° | 0.1° |
| C3 | C4 | C5 | H5 | 177.5° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C11 | 0.3° | 0.3° |
| C5 | C4 | C3 | H3 | 174.3° | 180.0° |
| C5 | C6 | C11 | H11 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 177.4° | 180.0° |
| C11 | C6 | C5 | H5 | 179.7° | 179.8° |
| C7 | C8 | C9 | H81C | 119.8° | 119.0° |
| C7 | C8 | C9 | H82C | 119.8° | 118.9° |
| C7 | C8 | C9 | C10 | 12.7° | 22.0° |
| C8 | C7 | H71C | H72C | 124.0° | 121.2° |
| C7 | C8 | H81C | H82C | 120.5° | 122.2° |
| C7 | C8 | C9 | H91C | 107.2° | 140.3° |
| C7 | C8 | C9 | H92C | 132.6° | 96.3° |
| C8 | C9 | C10 | H91C | 119.9° | 118.3° |
| C8 | C9 | C10 | H92C | 119.9° | 118.4° |
| C9 | C8 | C7 | H71C | 97.9° | 118.2° |
| C9 | C8 | C7 | H72C | 139.3° | 120.6° |
| C8 | C9 | C10 | H101 | 120.3° | 155.9° |
| C8 | C9 | C10 | H102 | 117.4° | 81.0° |
| C9 | C8 | H81C | H82C | 120.6° | 122.1° |
| C8 | C9 | H91C | H92C | 120.3° | 123.3° |
| C9 | C10 | H101 | H102 | 123.3° | 123.2° |
| C10 | C9 | C8 | H81C | 132.5° | 96.9° |
| C10 | C9 | C8 | H82C | 107.1° | 140.9° |
| C10 | C9 | H91C | H92C | 120.4° | 123.3° |
| H11C | C1 | N1 | H11N | 59.5° | 60.0° |
| H11C | C1 | N1 | H12N | 60.5° | 64.0° |
| H12C | C1 | N1 | H11N | 59.5° | 60.0° |
| H12C | C1 | N1 | H12N | 179.4° | 176.1° |
| H3 | C3 | C4 | H4 | 5.7° | 0.0° |
| H71C | C7 | C8 | H81C | 21.9° | 0.8° |
| H71C | C7 | C8 | H82C | 142.3° | 123.0° |
| H72C | C7 | C8 | H81C | 100.9° | 120.5° |
| H72C | C7 | C8 | H82C | 19.5° | 1.7° |
| H101 | C10 | C9 | H91C | 119.8° | 85.8° |
| H101 | C10 | C9 | H92C | 0.4° | 37.5° |
| H102 | C10 | C9 | H91C | 2.5° | 37.3° |
| H102 | C10 | C9 | H92C | 122.7° | 160.6° |
| H4 | C4 | C5 | H5 | 2.6° | 0.0° |
| H81C | C8 | C9 | H91C | 12.6° | 21.3° |
| H81C | C8 | C9 | H92C | 107.6° | 144.7° |
| H82C | C8 | C9 | H91C | 133.0° | 100.8° |
| H82C | C8 | C9 | H92C | 12.8° | 22.5° |
