I9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C31 | sing | 1.57Å | 1.54Å | |
| C28 | C27 | sing | 1.57Å | 1.53Å | |
| C31 | C30 | sing | 1.56Å | 1.52Å | |
| C31 | C32 | sing | 1.56Å | 1.53Å | |
| C30 | C29 | sing | 1.55Å | 1.53Å | |
| C29 | C27 | sing | 1.56Å | 1.53Å | |
| C27 | C26 | sing | 1.56Å | 1.53Å | |
| C32 | C26 | sing | 1.55Å | 1.53Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C28 | C27 | 92.6° | 96.1° |
| C28 | C31 | C30 | 102.1° | 100.6° |
| C28 | C31 | C32 | 102.9° | 100.7° |
| C28 | C31 | H6 | 114.1° | 116.9° |
| C31 | C28 | H9 | 113.5° | 112.0° |
| C31 | C28 | H10 | 113.5° | 112.1° |
| C28 | C27 | C29 | 101.2° | 100.6° |
| C28 | C27 | C26 | 102.2° | 100.6° |
| C28 | C27 | H5 | 114.4° | 116.3° |
| C27 | C28 | H9 | 113.5° | 112.0° |
| C27 | C28 | H10 | 113.5° | 112.0° |
| C30 | C31 | C32 | 107.9° | 104.5° |
| C31 | C30 | C29 | 103.0° | 104.6° |
| C31 | C30 | H1 | 111.0° | 110.4° |
| C31 | C30 | H2 | 111.0° | 110.5° |
| C30 | C31 | H6 | 114.4° | 115.9° |
| C31 | C32 | C26 | 102.5° | 104.7° |
| C32 | C31 | H6 | 114.2° | 115.9° |
| C31 | C32 | H7 | 111.2° | 110.4° |
| C31 | C32 | H8 | 111.1° | 110.4° |
| C30 | C29 | C27 | 103.3° | 104.7° |
| C29 | C30 | H1 | 111.0° | 110.4° |
| C29 | C30 | H2 | 111.0° | 110.4° |
| C30 | C29 | H11 | 111.0° | 110.4° |
| C30 | C29 | H12 | 111.0° | 110.4° |
| C29 | C27 | C26 | 108.8° | 104.5° |
| C29 | C27 | H5 | 114.4° | 116.6° |
| C27 | C29 | H11 | 111.0° | 110.4° |
| C27 | C29 | H12 | 111.0° | 110.4° |
| C27 | C26 | C32 | 103.4° | 104.6° |
| C27 | C26 | H3 | 111.0° | 110.4° |
| C27 | C26 | H4 | 111.0° | 110.4° |
| C26 | C27 | H5 | 114.4° | 115.9° |
| C32 | C26 | H3 | 111.0° | 110.4° |
| C32 | C26 | H4 | 111.0° | 110.5° |
| C26 | C32 | H7 | 111.2° | 110.4° |
| C26 | C32 | H8 | 111.2° | 110.4° |
| H1 | C30 | H2 | 109.5° | 110.3° |
| H3 | C26 | H4 | 109.5° | 110.4° |
| H7 | C32 | H8 | 109.5° | 110.5° |
| H9 | C28 | H10 | 109.5° | 111.8° |
| H11 | C29 | H12 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C28 | C27 | H9 | 117.0° | 116.7° |
| C31 | C28 | C27 | H10 | 117.1° | 116.8° |
| C28 | C31 | C30 | C32 | 108.0° | 104.1° |
| C28 | C31 | C30 | H6 | 123.7° | 127.0° |
| C28 | C31 | C32 | H6 | 124.2° | 127.1° |
| C28 | C31 | C30 | C29 | 35.3° | 33.8° |
| C31 | C28 | C27 | C29 | 56.6° | 53.6° |
| C31 | C28 | C27 | C26 | 55.6° | 53.5° |
| C28 | C31 | C32 | C26 | 35.0° | 33.8° |
| C28 | C31 | C30 | H1 | 154.2° | 152.6° |
| C28 | C31 | C30 | H2 | 83.6° | 85.1° |
| C31 | C28 | C27 | H5 | 179.9° | 179.6° |
| C28 | C31 | C32 | H7 | 83.8° | 152.5° |
| C28 | C31 | C32 | H8 | 153.9° | 85.0° |
| C31 | C28 | H9 | H10 | 128.0° | 126.7° |
| C27 | C28 | C31 | C30 | 56.4° | 53.6° |
| C27 | C28 | C31 | C32 | 55.5° | 53.6° |
| C28 | C27 | C29 | C30 | 37.3° | 33.7° |
| C28 | C27 | C29 | C26 | 107.2° | 104.0° |
| C28 | C27 | C29 | H5 | 123.5° | 126.7° |
| C28 | C27 | C26 | H5 | 124.2° | 126.3° |
| C28 | C27 | C26 | C32 | 36.6° | 33.7° |
| C28 | C27 | C26 | H3 | 155.6° | 152.5° |
| C28 | C27 | C26 | H4 | 82.5° | 85.1° |
| C27 | C28 | C31 | H6 | 179.7° | 180.0° |
| C27 | C28 | H9 | H10 | 128.0° | 126.6° |
| C28 | C27 | C29 | H11 | 156.3° | 152.5° |
| C28 | C27 | C29 | H12 | 81.7° | 85.0° |
| C30 | C31 | C32 | H6 | 128.4° | 128.9° |
| C31 | C30 | C29 | H1 | 118.9° | 118.8° |
| C31 | C30 | C29 | H2 | 118.9° | 118.9° |
| C31 | C30 | C29 | C27 | 1.1° | 0.0° |
| C30 | C31 | C32 | C26 | 72.4° | 70.3° |
| C31 | C30 | H1 | H2 | 123.0° | 122.4° |
| C30 | C31 | C32 | H7 | 168.7° | 48.5° |
| C30 | C31 | C32 | H8 | 46.5° | 171.0° |
| C30 | C31 | C28 | H9 | 60.7° | 170.3° |
| C30 | C31 | C28 | H10 | 173.4° | 63.2° |
| C31 | C30 | C29 | H11 | 120.1° | 118.8° |
| C31 | C30 | C29 | H12 | 117.9° | 118.8° |
| C32 | C31 | C30 | C29 | 72.7° | 70.3° |
| C31 | C32 | C26 | C27 | 0.8° | 0.0° |
| C31 | C32 | C26 | H7 | 118.9° | 118.8° |
| C31 | C32 | C26 | H8 | 118.9° | 118.8° |
| C32 | C31 | C30 | H1 | 46.3° | 48.5° |
| C32 | C31 | C30 | H2 | 168.4° | 170.9° |
| C31 | C32 | C26 | H3 | 119.9° | 118.8° |
| C31 | C32 | C26 | H4 | 118.2° | 118.8° |
| C31 | C32 | H7 | H8 | 123.2° | 122.4° |
| C32 | C31 | C28 | H9 | 172.5° | 63.1° |
| C32 | C31 | C28 | H10 | 61.6° | 170.3° |
| C30 | C29 | C27 | H11 | 119.0° | 118.8° |
| C30 | C29 | C27 | H12 | 119.0° | 118.8° |
| C30 | C29 | C27 | C26 | 69.9° | 70.3° |
| C29 | C30 | H1 | H2 | 123.0° | 122.4° |
| C30 | C29 | C27 | H5 | 160.8° | 160.4° |
| C29 | C30 | C31 | H6 | 159.0° | 160.8° |
| C30 | C29 | H11 | H12 | 122.9° | 122.3° |
| C29 | C27 | C26 | H5 | 129.3° | 129.7° |
| C29 | C27 | C26 | C32 | 69.9° | 70.3° |
| C27 | C29 | C30 | H1 | 117.8° | 118.8° |
| C27 | C29 | C30 | H2 | 120.1° | 118.9° |
| C29 | C27 | C26 | H3 | 49.1° | 48.5° |
| C29 | C27 | C26 | H4 | 171.0° | 170.8° |
| C29 | C27 | C28 | H9 | 60.4° | 170.3° |
| C29 | C27 | C28 | H10 | 173.7° | 63.3° |
| C27 | C29 | H11 | H12 | 122.9° | 122.4° |
| C27 | C26 | C32 | H3 | 119.0° | 118.8° |
| C27 | C26 | C32 | H4 | 119.0° | 118.8° |
| C27 | C26 | H3 | H4 | 122.8° | 122.3° |
| C27 | C26 | C32 | H7 | 119.7° | 118.8° |
| C27 | C26 | C32 | H8 | 118.0° | 118.8° |
| C26 | C27 | C28 | H9 | 172.7° | 63.2° |
| C26 | C27 | C28 | H10 | 61.4° | 170.3° |
| C26 | C27 | C29 | H11 | 49.1° | 48.5° |
| C26 | C27 | C29 | H12 | 171.1° | 171.0° |
| C32 | C26 | H3 | H4 | 122.8° | 122.5° |
| C32 | C26 | C27 | H5 | 160.8° | 160.0° |
| C26 | C32 | C31 | H6 | 159.2° | 160.8° |
| C26 | C32 | H7 | H8 | 123.3° | 122.4° |
| H1 | C30 | C31 | H6 | 82.0° | 80.4° |
| H1 | C30 | C29 | H11 | 1.2° | 0.0° |
| H1 | C30 | C29 | H12 | 123.2° | 122.4° |
| H2 | C30 | C31 | H6 | 40.1° | 42.0° |
| H2 | C30 | C29 | H11 | 120.9° | 122.3° |
| H2 | C30 | C29 | H12 | 1.1° | 0.1° |
| H3 | C26 | C27 | H5 | 80.2° | 81.2° |
| H3 | C26 | C32 | H7 | 121.3° | 0.0° |
| H3 | C26 | C32 | H8 | 1.0° | 122.4° |
| H4 | C26 | C27 | H5 | 41.7° | 41.1° |
| H4 | C26 | C32 | H7 | 0.7° | 122.4° |
| H4 | C26 | C32 | H8 | 123.0° | 0.0° |
| H5 | C27 | C28 | H9 | 63.1° | 62.9° |
| H5 | C27 | C28 | H10 | 62.8° | 63.6° |
| H5 | C27 | C29 | H11 | 80.2° | 80.8° |
| H5 | C27 | C29 | H12 | 41.8° | 41.6° |
| H6 | C31 | C32 | H7 | 40.3° | 80.4° |
| H6 | C31 | C32 | H8 | 81.9° | 42.1° |
| H6 | C31 | C28 | H9 | 63.3° | 63.3° |
| H6 | C31 | C28 | H10 | 62.6° | 63.2° |
