A1I19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.21Å | 1.18Å | |
| C06 | N07 | sing | 1.47Å | 1.44Å | |
| C06 | C05 | sing | 1.55Å | 1.55Å | |
| C03 | O02 | sing | 1.34Å | 1.39Å | |
| C03 | C05 | sing | 1.51Å | 1.52Å | |
| C08 | N07 | sing | 1.47Å | 1.45Å | |
| C01 | O02 | sing | 1.45Å | 1.40Å | |
| N07 | C09 | sing | 1.34Å | 1.50Å | |
| C05 | C11 | sing | 1.55Å | 1.51Å | |
| C11 | C09 | sing | 1.51Å | 1.46Å | |
| C09 | O10 | doub | 1.21Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | O02 | 120.5° | 120.0° |
| O04 | C03 | C05 | 120.4° | 120.0° |
| N07 | C06 | C05 | 106.0° | 105.5° |
| C06 | N07 | C08 | 125.9° | 124.4° |
| C06 | N07 | C09 | 108.3° | 111.3° |
| N07 | C06 | H5 | 110.3° | 110.2° |
| N07 | C06 | H6 | 110.4° | 110.2° |
| C06 | C05 | C03 | 110.9° | 110.9° |
| C06 | C05 | C11 | 104.5° | 101.8° |
| C06 | C05 | H4 | 110.3° | 111.0° |
| C05 | C06 | H5 | 110.4° | 110.2° |
| C05 | C06 | H6 | 110.3° | 110.3° |
| O02 | C03 | C05 | 119.1° | 120.0° |
| C03 | O02 | C01 | 114.1° | 117.0° |
| C03 | C05 | C11 | 109.5° | 111.0° |
| C03 | C05 | H4 | 110.7° | 110.9° |
| C08 | N07 | C09 | 125.8° | 124.3° |
| N07 | C08 | H7 | 109.5° | 109.5° |
| N07 | C08 | H8 | 109.5° | 109.4° |
| N07 | C08 | H9 | 109.5° | 109.4° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| N07 | C09 | C11 | 108.4° | 110.1° |
| N07 | C09 | O10 | 125.6° | 125.0° |
| C05 | C11 | C09 | 105.8° | 104.2° |
| C11 | C05 | H4 | 110.8° | 111.0° |
| C05 | C11 | H10 | 110.4° | 110.5° |
| C05 | C11 | H11 | 110.4° | 110.5° |
| C11 | C09 | O10 | 126.0° | 124.9° |
| C09 | C11 | H10 | 110.4° | 110.5° |
| C09 | C11 | H11 | 110.4° | 110.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 110.3° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H7 | C08 | H9 | 109.4° | 109.4° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | C05 | C06 | 4.4° | 6.2° |
| O04 | C03 | O02 | C05 | 179.7° | 180.0° |
| O04 | C03 | O02 | C01 | 28.8° | 0.0° |
| O04 | C03 | C05 | C11 | 110.4° | 118.5° |
| O04 | C03 | C05 | H4 | 127.2° | 117.6° |
| N07 | C06 | C05 | H5 | 119.5° | 119.0° |
| N07 | C06 | C05 | H6 | 119.5° | 119.0° |
| N07 | C06 | C05 | C03 | 143.6° | 143.5° |
| C06 | N07 | C08 | C09 | 179.8° | 179.9° |
| N07 | C06 | C05 | C11 | 25.7° | 25.4° |
| C06 | N07 | C09 | C11 | 0.3° | 0.4° |
| C06 | N07 | C09 | O10 | 179.7° | 179.6° |
| N07 | C06 | C05 | H4 | 93.5° | 92.7° |
| N07 | C06 | H5 | H6 | 121.6° | 122.0° |
| C06 | N07 | C08 | H7 | 180.0° | 89.9° |
| C06 | N07 | C08 | H8 | 60.0° | 150.0° |
| C06 | N07 | C08 | H9 | 60.0° | 30.0° |
| C06 | C05 | C03 | O02 | 175.9° | 173.9° |
| C06 | C05 | C03 | C11 | 114.8° | 112.4° |
| C06 | C05 | C03 | H4 | 122.8° | 123.8° |
| C05 | C06 | N07 | C08 | 163.9° | 163.0° |
| C05 | C06 | N07 | C09 | 16.2° | 17.0° |
| C06 | C05 | C11 | H4 | 118.8° | 118.1° |
| C06 | C05 | C11 | C09 | 25.3° | 24.8° |
| C05 | C06 | H5 | H6 | 121.6° | 122.0° |
| C06 | C05 | C11 | H10 | 94.1° | 93.9° |
| C06 | C05 | C11 | H11 | 144.7° | 143.5° |
| O02 | C03 | C05 | C11 | 69.3° | 61.5° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C05 | H4 | 53.1° | 62.4° |
| C05 | C03 | O02 | C01 | 150.9° | 180.0° |
| C03 | C05 | C11 | H4 | 122.3° | 123.8° |
| C03 | C05 | C11 | C09 | 144.1° | 142.9° |
| C03 | C05 | C06 | H5 | 24.2° | 97.5° |
| C03 | C05 | C06 | H6 | 96.9° | 24.6° |
| C03 | C05 | C11 | H10 | 24.8° | 24.2° |
| C03 | C05 | C11 | H11 | 96.4° | 98.4° |
| C08 | N07 | C09 | C11 | 179.8° | 179.6° |
| C08 | N07 | C09 | O10 | 0.2° | 0.4° |
| C08 | N07 | C06 | H5 | 76.6° | 44.1° |
| C08 | N07 | C06 | H6 | 44.5° | 77.9° |
| N07 | C08 | H7 | H8 | 120.0° | 120.0° |
| N07 | C08 | H7 | H9 | 120.0° | 119.9° |
| N07 | C08 | H8 | H9 | 120.0° | 119.9° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N07 | C09 | C11 | C05 | 16.1° | 16.2° |
| N07 | C09 | C11 | O10 | 180.0° | 180.0° |
| C09 | N07 | C06 | H5 | 103.3° | 136.0° |
| C09 | N07 | C06 | H6 | 135.6° | 102.0° |
| C09 | N07 | C08 | H7 | 0.1° | 90.0° |
| C09 | N07 | C08 | H8 | 120.2° | 30.1° |
| C09 | N07 | C08 | H9 | 119.9° | 150.0° |
| N07 | C09 | C11 | H10 | 103.3° | 102.4° |
| N07 | C09 | C11 | H11 | 135.5° | 134.9° |
| C05 | C11 | C09 | H10 | 119.4° | 118.6° |
| C05 | C11 | C09 | H11 | 119.4° | 118.7° |
| C05 | C11 | C09 | O10 | 163.9° | 163.8° |
| C11 | C05 | C06 | H5 | 93.7° | 144.4° |
| C11 | C05 | C06 | H6 | 145.2° | 93.6° |
| C05 | C11 | H10 | H11 | 121.7° | 122.6° |
| C09 | C11 | C05 | H4 | 93.5° | 93.3° |
| C09 | C11 | H10 | H11 | 121.7° | 122.6° |
| O10 | C09 | C11 | H10 | 76.7° | 77.6° |
| O10 | C09 | C11 | H11 | 44.5° | 45.1° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H4 | C05 | C06 | H5 | 147.1° | 26.2° |
| H4 | C05 | C06 | H6 | 26.0° | 148.3° |
| H4 | C05 | C11 | H10 | 147.1° | 148.0° |
| H4 | C05 | C11 | H11 | 25.9° | 25.4° |
| H7 | C08 | H8 | H9 | 120.0° | 120.0° |
