H93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N09 | C08 | sing | 1.37Å | 1.46Å | |
| C01 | N02 | sing | 1.47Å | 1.43Å | |
| O19 | C18 | sing | 1.43Å | 1.40Å | |
| C08 | N02 | sing | 1.36Å | 1.45Å | |
| C08 | N07 | doub | 1.31Å | 1.46Å | |
| N02 | C03 | sing | 1.35Å | 1.42Å | |
| C18 | C16 | sing | 1.53Å | 1.37Å | |
| N07 | C06 | sing | 1.34Å | 1.50Å | |
| C03 | O04 | doub | 1.22Å | 1.19Å | |
| C03 | C05 | sing | 1.41Å | 1.53Å | |
| C16 | O17 | sing | 1.44Å | 1.54Å | |
| C16 | C15 | sing | 1.54Å | 1.59Å | |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | N10 | sing | 1.37Å | 1.33Å | Aromatic |
| O17 | C13 | sing | 1.44Å | 1.30Å | |
| C05 | N12 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.55Å | 1.26Å | |
| C15 | O20 | sing | 1.43Å | 1.50Å | |
| C14 | C13 | sing | 1.55Å | 1.65Å | |
| C14 | O21 | sing | 1.43Å | 1.46Å | |
| C13 | N10 | sing | 1.47Å | 1.41Å | |
| N10 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| N12 | C11 | doub | 1.30Å | 1.36Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| O19 | H13 | sing | 0.97Å | 0.95Å | |
| O20 | H14 | sing | 0.97Å | 0.95Å | |
| O21 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C08 | N02 | 122.5° | 119.0° |
| N09 | C08 | N07 | 119.5° | 119.1° |
| C08 | N09 | H11 | 120.0° | 120.0° |
| C08 | N09 | H12 | 120.0° | 120.0° |
| C01 | N02 | C08 | 123.0° | 119.8° |
| C01 | N02 | C03 | 114.2° | 119.8° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| O19 | C18 | C16 | 110.7° | 109.5° |
| O19 | C18 | H9 | 109.2° | 109.5° |
| O19 | C18 | H10 | 109.2° | 109.5° |
| C18 | O19 | H13 | 109.5° | 114.0° |
| N02 | C08 | N07 | 118.0° | 121.9° |
| C08 | N02 | C03 | 122.8° | 120.4° |
| C08 | N07 | C06 | 119.3° | 121.2° |
| N02 | C03 | O04 | 117.9° | 120.8° |
| N02 | C03 | C05 | 119.2° | 118.3° |
| C18 | C16 | O17 | 108.6° | 109.9° |
| C18 | C16 | C15 | 111.7° | 110.1° |
| C18 | C16 | H8 | 113.3° | 110.0° |
| C16 | C18 | H9 | 109.2° | 109.5° |
| C16 | C18 | H10 | 109.1° | 109.5° |
| N07 | C06 | C05 | 122.4° | 119.7° |
| N07 | C06 | N10 | 130.5° | 134.3° |
| O04 | C03 | C05 | 122.9° | 120.8° |
| C03 | C05 | C06 | 118.3° | 118.6° |
| C03 | C05 | N12 | 133.1° | 134.1° |
| O17 | C16 | C15 | 101.8° | 107.4° |
| C16 | O17 | C13 | 105.6° | 106.9° |
| O17 | C16 | H8 | 110.7° | 109.9° |
| C16 | C15 | C14 | 105.2° | 104.2° |
| C16 | C15 | O20 | 106.8° | 110.5° |
| C16 | C15 | H7 | 109.9° | 110.6° |
| C15 | C16 | H8 | 110.1° | 109.7° |
| C05 | C06 | N10 | 107.1° | 106.1° |
| C06 | C05 | N12 | 108.6° | 107.3° |
| C06 | N10 | C13 | 123.9° | 126.2° |
| C06 | N10 | C11 | 109.4° | 107.5° |
| O17 | C13 | C14 | 107.2° | 103.6° |
| O17 | C13 | N10 | 110.8° | 110.6° |
| O17 | C13 | H5 | 110.2° | 110.7° |
| C05 | N12 | C11 | 107.0° | 109.4° |
| C14 | C15 | O20 | 107.9° | 110.5° |
| C15 | C14 | C13 | 99.4° | 102.1° |
| C15 | C14 | O21 | 110.4° | 110.9° |
| C15 | C14 | H6 | 116.9° | 111.0° |
| C14 | C15 | H7 | 115.4° | 110.4° |
| O20 | C15 | H7 | 111.2° | 110.5° |
| C15 | O20 | H14 | 109.5° | 114.0° |
| C13 | C14 | O21 | 105.5° | 110.9° |
| C14 | C13 | N10 | 114.2° | 110.6° |
| C14 | C13 | H5 | 105.7° | 110.6° |
| C13 | C14 | H6 | 110.1° | 110.9° |
| O21 | C14 | H6 | 113.0° | 110.8° |
| C14 | O21 | H15 | 109.5° | 114.0° |
| C13 | N10 | C11 | 126.7° | 126.3° |
| N10 | C13 | H5 | 108.5° | 110.6° |
| N10 | C11 | N12 | 107.8° | 109.8° |
| N10 | C11 | H4 | 126.1° | 125.1° |
| N12 | C11 | H4 | 126.1° | 125.1° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.5° |
| H11 | N09 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C08 | N02 | C01 | 0.0° | 0.0° |
| N09 | C08 | N02 | N07 | 179.5° | 179.9° |
| N09 | C08 | N02 | C03 | 179.3° | 180.0° |
| N09 | C08 | N07 | C06 | 179.6° | 179.7° |
| C08 | N09 | H11 | H12 | 180.0° | 180.0° |
| C01 | N02 | C08 | C03 | 179.3° | 180.0° |
| C01 | N02 | C08 | N07 | 179.5° | 180.0° |
| C01 | N02 | C03 | O04 | 0.6° | 0.0° |
| C01 | N02 | C03 | C05 | 179.8° | 179.7° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O19 | C18 | C16 | H9 | 120.2° | 120.0° |
| O19 | C18 | C16 | H10 | 120.2° | 120.1° |
| O19 | C18 | C16 | O17 | 87.9° | 66.5° |
| O19 | C18 | C16 | C15 | 160.6° | 175.5° |
| O19 | C18 | C16 | H8 | 35.6° | 54.6° |
| O19 | C18 | H9 | H10 | 119.4° | 120.0° |
| N02 | C08 | N07 | C06 | 0.1° | 0.2° |
| C08 | N02 | C03 | O04 | 180.0° | 180.0° |
| C08 | N02 | C03 | C05 | 0.4° | 0.3° |
| C08 | N02 | C01 | H1 | 180.0° | 55.1° |
| C08 | N02 | C01 | H2 | 60.0° | 175.1° |
| C08 | N02 | C01 | H3 | 60.0° | 64.9° |
| N02 | C08 | N09 | H11 | 179.4° | 5.9° |
| N02 | C08 | N09 | H12 | 0.5° | 174.2° |
| N07 | C08 | N02 | C03 | 0.1° | 0.0° |
| C08 | N07 | C06 | C05 | 0.0° | 0.3° |
| C08 | N07 | C06 | N10 | 179.5° | 179.8° |
| N07 | C08 | N09 | H11 | 0.0° | 174.2° |
| N07 | C08 | N09 | H12 | 180.0° | 5.7° |
| N02 | C03 | O04 | C05 | 179.6° | 179.7° |
| N02 | C03 | C05 | C06 | 0.5° | 0.3° |
| N02 | C03 | C05 | N12 | 179.7° | 179.8° |
| C03 | N02 | C01 | H1 | 0.6° | 124.9° |
| C03 | N02 | C01 | H2 | 119.4° | 4.9° |
| C03 | N02 | C01 | H3 | 120.6° | 115.1° |
| C18 | C16 | O17 | C15 | 117.9° | 119.7° |
| C18 | C16 | O17 | H8 | 125.0° | 121.1° |
| C18 | C16 | C15 | H8 | 126.8° | 121.1° |
| C18 | C16 | O17 | C13 | 114.3° | 146.0° |
| C18 | C16 | C15 | C14 | 81.7° | 121.4° |
| C18 | C16 | C15 | O20 | 163.8° | 119.9° |
| C18 | C16 | C15 | H7 | 43.2° | 2.7° |
| C16 | C18 | H9 | H10 | 119.4° | 120.0° |
| C16 | C18 | O19 | H13 | 180.0° | 179.9° |
| N07 | C06 | C05 | C03 | 0.3° | 0.0° |
| N07 | C06 | C05 | N10 | 179.6° | 180.0° |
| N07 | C06 | C05 | N12 | 179.9° | 180.0° |
| N07 | C06 | N10 | C13 | 2.6° | 0.1° |
| N07 | C06 | N10 | C11 | 179.9° | 180.0° |
| O04 | C03 | C05 | C06 | 179.9° | 180.0° |
| O04 | C03 | C05 | N12 | 0.2° | 0.1° |
| C03 | C05 | C06 | N12 | 179.8° | 180.0° |
| C03 | C05 | C06 | N10 | 179.9° | 179.9° |
| C03 | C05 | N12 | C11 | 179.7° | 180.0° |
| O17 | C16 | C15 | H8 | 117.5° | 119.3° |
| O17 | C16 | C15 | C14 | 34.0° | 1.9° |
| O17 | C16 | C15 | O20 | 80.5° | 120.6° |
| C16 | O17 | C13 | C14 | 20.2° | 39.9° |
| C16 | O17 | C13 | N10 | 145.5° | 158.4° |
| C16 | O17 | C13 | H5 | 94.4° | 78.7° |
| O17 | C16 | C15 | H7 | 158.9° | 116.8° |
| O17 | C16 | C18 | H9 | 32.3° | 173.6° |
| O17 | C16 | C18 | H10 | 151.8° | 53.6° |
| C15 | C16 | O17 | C13 | 3.6° | 26.3° |
| C16 | C15 | C14 | O20 | 113.7° | 118.7° |
| C16 | C15 | C14 | H7 | 121.3° | 118.8° |
| C16 | C15 | O20 | H7 | 119.8° | 122.7° |
| C16 | C15 | C14 | C13 | 42.9° | 20.9° |
| C16 | C15 | C14 | O21 | 153.4° | 139.1° |
| C16 | C15 | C14 | H6 | 75.5° | 97.3° |
| C15 | C16 | C18 | H9 | 79.2° | 55.5° |
| C15 | C16 | C18 | H10 | 40.3° | 64.5° |
| C16 | C15 | O20 | H14 | 180.0° | 65.3° |
| C05 | C06 | N10 | C13 | 177.8° | 179.9° |
| C05 | C06 | N10 | C11 | 0.5° | 0.0° |
| C06 | C05 | N12 | C11 | 0.0° | 0.0° |
| C06 | N10 | C13 | O17 | 27.8° | 158.6° |
| N10 | C06 | C05 | N12 | 0.3° | 0.0° |
| C06 | N10 | C13 | C14 | 93.4° | 87.3° |
| C06 | N10 | C13 | C11 | 176.8° | 179.9° |
| C06 | N10 | C11 | N12 | 0.5° | 0.1° |
| C06 | N10 | C11 | H4 | 179.5° | 180.0° |
| C06 | N10 | C13 | H5 | 148.9° | 35.6° |
| O17 | C13 | C14 | C15 | 43.7° | 37.0° |
| O17 | C13 | C14 | N10 | 123.2° | 118.5° |
| O17 | C13 | C14 | H5 | 117.6° | 118.6° |
| O17 | C13 | C14 | O21 | 158.1° | 155.1° |
| O17 | C13 | N10 | H5 | 121.1° | 123.0° |
| O17 | C13 | N10 | C11 | 149.0° | 21.3° |
| O17 | C13 | C14 | H6 | 79.7° | 81.3° |
| C13 | O17 | C16 | H8 | 120.6° | 92.9° |
| C05 | N12 | C11 | N10 | 0.3° | 0.0° |
| C05 | N12 | C11 | H4 | 179.7° | 180.0° |
| C14 | C15 | O20 | H7 | 127.5° | 122.5° |
| C15 | C14 | C13 | O21 | 114.4° | 118.2° |
| C15 | C14 | C13 | H6 | 123.3° | 118.3° |
| C15 | C14 | O21 | H6 | 133.1° | 123.7° |
| C15 | C14 | C13 | N10 | 166.8° | 155.5° |
| C15 | C14 | C13 | H5 | 73.9° | 81.6° |
| C14 | C15 | C16 | H8 | 151.5° | 117.4° |
| C14 | C15 | O20 | H14 | 67.4° | 180.0° |
| C15 | C14 | O21 | H15 | 180.0° | 67.3° |
| O20 | C15 | C14 | C13 | 70.8° | 97.8° |
| O20 | C15 | C14 | O21 | 39.7° | 20.4° |
| O20 | C15 | C14 | H6 | 170.8° | 144.0° |
| O20 | C15 | C16 | H8 | 37.0° | 1.2° |
| C13 | C14 | O21 | H6 | 120.4° | 123.6° |
| C14 | C13 | N10 | H5 | 117.7° | 122.9° |
| C14 | C13 | N10 | C11 | 89.8° | 92.9° |
| C13 | C14 | C15 | H7 | 164.2° | 139.7° |
| C13 | C14 | O21 | H15 | 73.5° | 180.0° |
| O21 | C14 | C13 | N10 | 78.8° | 86.3° |
| O21 | C14 | C13 | H5 | 40.5° | 36.5° |
| O21 | C14 | C15 | H7 | 85.3° | 102.1° |
| C13 | N10 | C11 | N12 | 177.7° | 179.9° |
| C13 | N10 | C11 | H4 | 2.3° | 0.1° |
| N10 | C13 | C14 | H6 | 43.5° | 37.2° |
| N10 | C11 | N12 | H4 | 180.0° | 180.0° |
| C11 | N10 | C13 | H5 | 27.9° | 144.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C13 | C14 | H6 | 162.8° | 160.1° |
| H6 | C14 | C15 | H7 | 45.8° | 21.5° |
| H6 | C14 | O21 | H15 | 46.9° | 56.4° |
| H7 | C15 | C16 | H8 | 83.6° | 123.9° |
| H7 | C15 | O20 | H14 | 60.2° | 57.5° |
| H8 | C16 | C18 | H9 | 155.8° | 65.4° |
| H8 | C16 | C18 | H10 | 84.6° | 174.6° |
| H9 | C18 | O19 | H13 | 59.8° | 60.1° |
| H10 | C18 | O19 | H13 | 59.8° | 59.9° |
