A1MBP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C15 | doub | 1.21Å | 1.19Å | |
| C15 | O01 | sing | 1.34Å | 1.52Å | |
| C15 | C02 | sing | 1.47Å | 1.50Å | |
| O01 | C14 | sing | 1.45Å | 1.44Å | |
| C12 | C11 | doub | 1.31Å | 1.34Å | |
| C01 | C02 | doub | 1.33Å | 1.56Å | |
| C14 | C03 | sing | 1.56Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | sing | 1.52Å | 1.47Å | |
| C11 | C10 | sing | 1.52Å | 1.87Å | |
| C11 | C13 | sing | 1.51Å | 1.66Å | |
| C10 | C09 | sing | 1.55Å | 1.48Å | |
| C03 | C04 | sing | 1.51Å | 1.50Å | |
| C13 | C08 | sing | 1.54Å | 1.48Å | |
| C08 | C09 | sing | 1.55Å | 1.36Å | |
| C08 | C06 | sing | 1.54Å | 1.67Å | |
| C04 | C05 | sing | 1.51Å | 1.43Å | |
| C05 | C06 | sing | 1.48Å | 1.52Å | |
| C06 | C07 | doub | 1.31Å | 1.31Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C15 | O01 | 128.1° | 124.9° |
| O02 | C15 | C02 | 128.1° | 124.8° |
| O01 | C15 | C02 | 103.8° | 110.3° |
| C15 | O01 | C14 | 103.6° | 109.8° |
| C15 | C02 | C01 | 111.5° | 126.8° |
| C15 | C02 | C03 | 104.7° | 106.5° |
| O01 | C14 | C03 | 107.0° | 104.7° |
| O01 | C14 | C13 | 112.7° | 111.1° |
| O01 | C14 | H20 | 109.0° | 109.0° |
| C12 | C11 | C10 | 130.6° | 126.5° |
| C12 | C11 | C13 | 132.2° | 126.4° |
| C11 | C12 | H17 | 120.0° | 120.0° |
| C11 | C12 | H18 | 120.0° | 120.1° |
| C01 | C02 | C03 | 108.5° | 126.8° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C02 | C01 | H2 | 120.0° | 120.0° |
| C03 | C14 | C13 | 111.9° | 112.7° |
| C14 | C03 | C02 | 106.5° | 103.1° |
| C14 | C03 | C04 | 111.8° | 109.3° |
| C14 | C03 | H5 | 109.7° | 111.9° |
| C03 | C14 | H20 | 107.8° | 109.6° |
| C14 | C13 | C11 | 111.2° | 111.7° |
| C14 | C13 | C08 | 106.1° | 112.9° |
| C14 | C13 | H19 | 112.1° | 108.1° |
| C13 | C14 | H20 | 108.3° | 109.6° |
| C02 | C03 | C04 | 108.0° | 109.9° |
| C02 | C03 | H5 | 110.6° | 111.2° |
| C10 | C11 | C13 | 97.2° | 107.2° |
| C11 | C10 | C09 | 97.2° | 104.5° |
| C11 | C10 | H15 | 112.5° | 110.4° |
| C11 | C10 | H16 | 112.4° | 110.5° |
| C11 | C13 | C08 | 105.1° | 107.0° |
| C11 | C13 | H19 | 109.8° | 108.4° |
| C10 | C09 | C08 | 110.1° | 102.3° |
| C10 | C09 | H13 | 109.3° | 110.8° |
| C10 | C09 | H14 | 109.3° | 111.1° |
| C09 | C10 | H15 | 112.4° | 110.5° |
| C09 | C10 | H16 | 112.5° | 110.4° |
| C03 | C04 | C05 | 115.1° | 112.5° |
| C04 | C03 | H5 | 110.2° | 111.1° |
| C03 | C04 | H6 | 108.1° | 108.9° |
| C03 | C04 | H7 | 108.1° | 108.9° |
| C13 | C08 | C09 | 113.1° | 103.7° |
| C13 | C08 | C06 | 106.5° | 105.3° |
| C13 | C08 | H12 | 109.3° | 113.6° |
| C08 | C13 | H19 | 112.3° | 108.5° |
| C09 | C08 | C06 | 109.2° | 107.8° |
| C09 | C08 | H12 | 111.3° | 112.9° |
| C08 | C09 | H13 | 109.3° | 110.8° |
| C08 | C09 | H14 | 109.3° | 110.9° |
| C08 | C06 | C05 | 112.9° | 114.0° |
| C08 | C06 | C07 | 123.8° | 123.0° |
| C06 | C08 | H12 | 107.2° | 112.8° |
| C04 | C05 | C06 | 107.3° | 114.3° |
| C05 | C04 | H6 | 108.0° | 108.9° |
| C05 | C04 | H7 | 108.1° | 108.9° |
| C04 | C05 | H8 | 110.0° | 108.5° |
| C04 | C05 | H9 | 110.0° | 108.5° |
| C05 | C06 | C07 | 123.2° | 123.0° |
| C06 | C05 | H8 | 110.0° | 108.5° |
| C06 | C05 | H9 | 110.0° | 108.5° |
| C06 | C07 | H10 | 120.0° | 120.0° |
| C06 | C07 | H11 | 120.0° | 120.0° |
| H1 | C01 | H2 | 120.0° | 120.0° |
| H6 | C04 | H7 | 109.5° | 108.7° |
| H8 | C05 | H9 | 109.5° | 108.3° |
| H10 | C07 | H11 | 120.0° | 120.0° |
| H13 | C09 | H14 | 109.5° | 110.8° |
| H15 | C10 | H16 | 109.5° | 110.3° |
| H17 | C12 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C15 | O01 | C02 | 178.8° | 179.6° |
| O02 | C15 | O01 | C14 | 140.6° | 157.7° |
| O02 | C15 | C02 | C01 | 28.1° | 10.0° |
| O02 | C15 | C02 | C03 | 145.1° | 170.2° |
| O01 | C15 | C02 | C01 | 150.8° | 170.3° |
| C15 | O01 | C14 | C03 | 27.8° | 24.7° |
| C15 | O01 | C14 | C13 | 151.1° | 146.6° |
| O01 | C15 | C02 | C03 | 33.7° | 9.5° |
| C15 | O01 | C14 | H20 | 88.6° | 92.4° |
| C02 | C15 | O01 | C14 | 38.3° | 21.9° |
| C15 | C02 | C01 | C03 | 114.7° | 179.8° |
| C15 | C02 | C03 | C14 | 16.8° | 5.6° |
| C15 | C02 | C03 | C04 | 137.0° | 110.8° |
| C15 | C02 | C01 | H1 | 114.7° | 179.7° |
| C15 | C02 | C01 | H2 | 65.2° | 0.5° |
| C15 | C02 | C03 | H5 | 102.3° | 125.7° |
| O01 | C14 | C03 | C13 | 123.9° | 120.9° |
| O01 | C14 | C03 | H20 | 117.1° | 116.8° |
| O01 | C14 | C13 | H20 | 120.7° | 120.5° |
| O01 | C14 | C03 | C02 | 7.2° | 17.5° |
| O01 | C14 | C13 | C11 | 56.4° | 58.3° |
| O01 | C14 | C03 | C04 | 110.6° | 99.4° |
| O01 | C14 | C13 | C08 | 170.1° | 179.0° |
| O01 | C14 | C03 | H5 | 126.9° | 137.1° |
| O01 | C14 | C13 | H19 | 67.0° | 60.9° |
| C12 | C11 | C13 | C14 | 71.4° | 55.5° |
| C12 | C11 | C10 | C13 | 179.0° | 179.9° |
| C12 | C11 | C10 | C09 | 153.8° | 156.8° |
| C12 | C11 | C13 | C08 | 174.2° | 179.6° |
| C12 | C11 | C10 | H15 | 35.8° | 84.3° |
| C12 | C11 | C10 | H16 | 88.3° | 38.0° |
| C11 | C12 | H17 | H18 | 180.0° | 179.9° |
| C12 | C11 | C13 | H19 | 53.3° | 63.5° |
| C01 | C02 | C03 | C14 | 136.0° | 174.6° |
| C01 | C02 | C03 | C04 | 103.8° | 69.0° |
| C02 | C01 | H1 | H2 | 180.0° | 179.8° |
| C01 | C02 | C03 | H5 | 16.8° | 54.5° |
| C03 | C14 | C13 | H20 | 118.7° | 122.3° |
| C14 | C03 | C02 | C04 | 120.2° | 116.4° |
| C14 | C03 | C02 | H5 | 119.1° | 120.1° |
| C03 | C14 | C13 | C11 | 177.0° | 175.4° |
| C14 | C03 | C04 | H5 | 122.3° | 124.0° |
| C03 | C14 | C13 | C08 | 69.3° | 63.8° |
| C14 | C03 | C04 | C05 | 91.7° | 87.5° |
| C14 | C03 | C04 | H6 | 147.5° | 151.8° |
| C14 | C03 | C04 | H7 | 29.1° | 33.3° |
| C03 | C14 | C13 | H19 | 53.6° | 56.2° |
| C13 | C14 | C03 | C02 | 131.1° | 138.3° |
| C14 | C13 | C11 | C10 | 109.7° | 124.4° |
| C14 | C13 | C11 | C08 | 114.4° | 124.1° |
| C14 | C13 | C11 | H19 | 124.7° | 119.0° |
| C13 | C14 | C03 | C04 | 13.3° | 21.5° |
| C14 | C13 | C08 | H19 | 122.7° | 119.8° |
| C14 | C13 | C08 | C09 | 138.6° | 147.1° |
| C14 | C13 | C08 | C06 | 101.5° | 99.7° |
| C13 | C14 | C03 | H5 | 109.2° | 102.0° |
| C14 | C13 | C08 | H12 | 14.0° | 24.1° |
| C02 | C03 | C04 | H5 | 120.9° | 123.6° |
| C02 | C03 | C04 | C05 | 151.4° | 160.1° |
| C03 | C02 | C01 | H1 | 0.0° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 179.7° |
| C02 | C03 | C04 | H6 | 30.6° | 39.3° |
| C02 | C03 | C04 | H7 | 87.7° | 79.1° |
| C02 | C03 | C14 | H20 | 110.0° | 99.3° |
| C11 | C10 | C09 | H15 | 118.0° | 118.8° |
| C11 | C10 | C09 | H16 | 117.9° | 118.8° |
| C10 | C11 | C13 | C08 | 4.7° | 0.3° |
| C11 | C10 | C09 | C08 | 40.9° | 37.4° |
| C11 | C10 | C09 | H13 | 79.2° | 155.5° |
| C11 | C10 | C09 | H14 | 161.0° | 80.9° |
| C11 | C10 | H15 | H16 | 125.7° | 122.5° |
| C10 | C11 | C12 | H17 | 178.6° | 0.0° |
| C10 | C11 | C12 | H18 | 1.4° | 180.0° |
| C10 | C11 | C13 | H19 | 125.7° | 116.6° |
| C13 | C11 | C10 | C09 | 25.2° | 23.2° |
| C11 | C13 | C08 | H19 | 119.4° | 116.8° |
| C11 | C13 | C08 | C09 | 20.7° | 23.7° |
| C11 | C13 | C08 | C06 | 140.6° | 136.9° |
| C11 | C13 | C08 | H12 | 103.9° | 99.3° |
| C13 | C11 | C10 | H15 | 143.1° | 95.6° |
| C13 | C11 | C10 | H16 | 92.8° | 142.0° |
| C13 | C11 | C12 | H17 | 0.0° | 180.0° |
| C13 | C11 | C12 | H18 | 180.0° | 0.1° |
| C11 | C13 | C14 | H20 | 64.3° | 62.2° |
| C10 | C09 | C08 | C13 | 43.7° | 37.3° |
| C10 | C09 | C08 | H13 | 120.1° | 118.1° |
| C10 | C09 | C08 | H14 | 120.1° | 118.4° |
| C10 | C09 | C08 | C06 | 162.1° | 148.6° |
| C10 | C09 | C08 | H12 | 79.8° | 86.2° |
| C10 | C09 | H13 | H14 | 119.7° | 123.7° |
| C09 | C10 | H15 | H16 | 125.8° | 122.4° |
| C03 | C04 | C05 | H6 | 120.8° | 120.8° |
| C03 | C04 | C05 | H7 | 120.9° | 120.8° |
| C03 | C04 | C05 | C06 | 88.2° | 84.7° |
| C03 | C04 | H6 | H7 | 117.5° | 118.5° |
| C03 | C04 | C05 | H8 | 31.4° | 36.5° |
| C03 | C04 | C05 | H9 | 152.1° | 154.0° |
| C04 | C03 | C14 | H20 | 132.3° | 143.8° |
| C13 | C08 | C09 | C06 | 118.3° | 111.3° |
| C13 | C08 | C09 | H12 | 123.5° | 123.4° |
| C13 | C08 | C06 | H12 | 116.9° | 124.4° |
| C13 | C08 | C06 | C05 | 69.9° | 67.2° |
| C13 | C08 | C06 | C07 | 107.8° | 112.7° |
| C13 | C08 | C09 | H13 | 76.4° | 155.4° |
| C13 | C08 | C09 | H14 | 163.8° | 81.2° |
| C08 | C13 | C14 | H20 | 49.4° | 58.5° |
| C09 | C08 | C06 | H12 | 120.7° | 125.4° |
| C09 | C08 | C06 | C05 | 167.7° | 177.4° |
| C09 | C08 | C06 | C07 | 14.6° | 2.5° |
| C08 | C09 | H13 | H14 | 119.7° | 123.5° |
| C08 | C09 | C10 | H15 | 158.9° | 81.4° |
| C08 | C09 | C10 | H16 | 77.0° | 156.2° |
| C09 | C08 | C13 | H19 | 98.7° | 93.1° |
| C08 | C06 | C05 | C04 | 54.7° | 56.8° |
| C08 | C06 | C05 | C07 | 177.6° | 179.9° |
| C08 | C06 | C05 | H8 | 64.9° | 64.4° |
| C08 | C06 | C05 | H9 | 174.4° | 178.0° |
| C08 | C06 | C07 | H10 | 177.4° | 174.0° |
| C08 | C06 | C07 | H11 | 2.6° | 6.0° |
| C06 | C08 | C09 | H13 | 41.9° | 93.3° |
| C06 | C08 | C09 | H14 | 77.9° | 30.1° |
| C06 | C08 | C13 | H19 | 21.2° | 20.1° |
| C04 | C05 | C06 | H8 | 119.6° | 121.3° |
| C04 | C05 | C06 | H9 | 119.7° | 121.2° |
| C04 | C05 | C06 | C07 | 122.9° | 123.1° |
| C05 | C04 | C03 | H5 | 30.5° | 36.5° |
| C05 | C04 | H6 | H7 | 117.4° | 118.5° |
| C04 | C05 | H8 | H9 | 121.0° | 117.6° |
| C06 | C05 | C04 | H6 | 151.0° | 154.5° |
| C06 | C05 | C04 | H7 | 32.7° | 36.1° |
| C06 | C05 | H8 | H9 | 121.0° | 117.6° |
| C05 | C06 | C07 | H10 | 0.0° | 5.8° |
| C05 | C06 | C07 | H11 | 180.0° | 174.1° |
| C05 | C06 | C08 | H12 | 47.1° | 57.2° |
| C07 | C06 | C05 | H8 | 117.5° | 115.7° |
| C07 | C06 | C05 | H9 | 3.2° | 1.8° |
| C06 | C07 | H10 | H11 | 180.0° | 180.0° |
| C07 | C06 | C08 | H12 | 135.3° | 122.9° |
| H5 | C03 | C04 | H6 | 90.3° | 84.3° |
| H5 | C03 | C04 | H7 | 151.4° | 157.3° |
| H5 | C03 | C14 | H20 | 9.7° | 20.3° |
| H6 | C04 | C05 | H8 | 89.4° | 84.3° |
| H6 | C04 | C05 | H9 | 31.3° | 33.2° |
| H7 | C04 | C05 | H8 | 152.3° | 157.3° |
| H7 | C04 | C05 | H9 | 87.0° | 85.2° |
| H12 | C08 | C09 | H13 | 160.1° | 32.0° |
| H12 | C08 | C09 | H14 | 40.3° | 155.4° |
| H12 | C08 | C13 | H19 | 136.7° | 143.9° |
| H13 | C09 | C10 | H15 | 38.7° | 36.7° |
| H13 | C09 | C10 | H16 | 162.8° | 85.6° |
| H14 | C09 | C10 | H15 | 81.1° | 160.3° |
| H14 | C09 | C10 | H16 | 43.1° | 37.9° |
| H19 | C13 | C14 | H20 | 172.3° | 178.5° |
