A1BMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | doub | 1.31Å | 1.27Å | |
| C12 | C14 | sing | 1.51Å | 1.57Å | |
| C08 | C07 | doub | 1.31Å | 1.31Å | |
| C08 | C15 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C16 | C04 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.51Å | 1.50Å | |
| C04 | C03 | doub | 1.31Å | 1.33Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | S01 | sing | 1.81Å | 1.82Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| S01 | H26 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 85.5° | 109.4° |
| C10 | C09 | C08 | 110.5° | 109.4° |
| C09 | C10 | H1 | 115.1° | 109.5° |
| C09 | C10 | H2 | 115.1° | 109.5° |
| C10 | C09 | H11 | 109.2° | 109.5° |
| C10 | C09 | H12 | 109.2° | 109.5° |
| C10 | C11 | C12 | 117.9° | 120.0° |
| C11 | C10 | H1 | 115.1° | 109.5° |
| C11 | C10 | H2 | 115.1° | 109.5° |
| C10 | C11 | H13 | 121.1° | 120.0° |
| C13 | C12 | C11 | 115.1° | 120.0° |
| C13 | C12 | C14 | 132.4° | 120.1° |
| C12 | C13 | H14 | 109.5° | 109.4° |
| C12 | C13 | H15 | 109.5° | 109.4° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C09 | C08 | C07 | 119.3° | 120.0° |
| C09 | C08 | C15 | 123.5° | 120.0° |
| C08 | C09 | H11 | 109.2° | 109.5° |
| C08 | C09 | H12 | 109.2° | 109.5° |
| C11 | C12 | C14 | 112.5° | 120.0° |
| C12 | C11 | H13 | 121.1° | 120.0° |
| C12 | C14 | H17 | 109.5° | 109.4° |
| C12 | C14 | H18 | 109.5° | 109.4° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C07 | C08 | C15 | 117.0° | 120.0° |
| C08 | C07 | C06 | 115.6° | 120.0° |
| C08 | C07 | H10 | 122.2° | 120.0° |
| C08 | C15 | H20 | 109.5° | 109.5° |
| C08 | C15 | H21 | 109.5° | 109.5° |
| C08 | C15 | H22 | 109.5° | 109.5° |
| C07 | C06 | C05 | 90.6° | 109.5° |
| C07 | C06 | H8 | 114.0° | 109.5° |
| C07 | C06 | H9 | 114.0° | 109.5° |
| C06 | C07 | H10 | 122.2° | 120.0° |
| C16 | C04 | C05 | 115.4° | 120.0° |
| C16 | C04 | C03 | 124.0° | 120.0° |
| C04 | C16 | H23 | 109.5° | 109.5° |
| C04 | C16 | H24 | 109.5° | 109.4° |
| C04 | C16 | H25 | 109.5° | 109.4° |
| C06 | C05 | C04 | 106.9° | 109.5° |
| C06 | C05 | H6 | 110.1° | 109.5° |
| C06 | C05 | H7 | 110.1° | 109.5° |
| C05 | C06 | H8 | 113.9° | 109.4° |
| C05 | C06 | H9 | 114.0° | 109.5° |
| C05 | C04 | C03 | 120.5° | 119.9° |
| C04 | C05 | H6 | 110.1° | 109.4° |
| C04 | C05 | H7 | 110.1° | 109.5° |
| C04 | C03 | C02 | 116.3° | 120.0° |
| C04 | C03 | H5 | 121.9° | 120.0° |
| C03 | C02 | S01 | 102.0° | 109.5° |
| C03 | C02 | H3 | 111.3° | 109.5° |
| C03 | C02 | H4 | 111.3° | 109.5° |
| C02 | C03 | H5 | 121.9° | 120.0° |
| S01 | C02 | H3 | 111.3° | 109.4° |
| S01 | C02 | H4 | 111.3° | 109.5° |
| C02 | S01 | H26 | 102.0° | 103.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.4° | 109.4° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H14 | C13 | H16 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.4° | 109.4° |
| H20 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 115.7° | 120.0° |
| C09 | C10 | C11 | H2 | 115.6° | 120.0° |
| C10 | C09 | C08 | H11 | 120.1° | 120.0° |
| C10 | C09 | C08 | H12 | 120.2° | 120.0° |
| C09 | C10 | C11 | C12 | 153.3° | 125.0° |
| C10 | C09 | C08 | C07 | 49.9° | 95.0° |
| C10 | C09 | C08 | C15 | 135.5° | 85.0° |
| C09 | C10 | H1 | H2 | 131.4° | 120.0° |
| C10 | C09 | H11 | H12 | 119.5° | 120.0° |
| C09 | C10 | C11 | H13 | 26.7° | 55.0° |
| C10 | C11 | C12 | C13 | 5.8° | 180.0° |
| C11 | C10 | C09 | C08 | 53.1° | 180.0° |
| C10 | C11 | C12 | H13 | 180.0° | 179.9° |
| C10 | C11 | C12 | C14 | 176.4° | 0.1° |
| C11 | C10 | H1 | H2 | 131.4° | 120.0° |
| C11 | C10 | C09 | H11 | 173.3° | 60.0° |
| C11 | C10 | C09 | H12 | 67.1° | 60.0° |
| C13 | C12 | C11 | C14 | 177.8° | 179.9° |
| C13 | C12 | C11 | H13 | 174.2° | 0.0° |
| C12 | C13 | H14 | H15 | 120.0° | 119.9° |
| C12 | C13 | H14 | H16 | 120.0° | 120.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C13 | C12 | C14 | H17 | 180.0° | 120.0° |
| C13 | C12 | C14 | H18 | 60.0° | 0.1° |
| C13 | C12 | C14 | H19 | 60.0° | 119.9° |
| C09 | C08 | C07 | C15 | 175.0° | 179.9° |
| C09 | C08 | C07 | C06 | 179.2° | 173.9° |
| C08 | C09 | C10 | H1 | 168.7° | 60.0° |
| C08 | C09 | C10 | H2 | 62.5° | 60.0° |
| C09 | C08 | C07 | H10 | 0.8° | 6.1° |
| C08 | C09 | H11 | H12 | 119.5° | 120.0° |
| C09 | C08 | C15 | H20 | 180.0° | 94.4° |
| C09 | C08 | C15 | H21 | 60.0° | 25.5° |
| C09 | C08 | C15 | H22 | 60.0° | 145.5° |
| C12 | C11 | C10 | H1 | 91.1° | 5.1° |
| C12 | C11 | C10 | H2 | 37.7° | 115.0° |
| C11 | C12 | C13 | H14 | 180.0° | 90.0° |
| C11 | C12 | C13 | H15 | 60.0° | 150.1° |
| C11 | C12 | C13 | H16 | 60.0° | 30.0° |
| C11 | C12 | C14 | H17 | 2.6° | 60.1° |
| C11 | C12 | C14 | H18 | 117.4° | 180.0° |
| C11 | C12 | C14 | H19 | 122.6° | 60.0° |
| C14 | C12 | C11 | H13 | 3.6° | 180.0° |
| C14 | C12 | C13 | H14 | 2.7° | 89.9° |
| C14 | C12 | C13 | H15 | 117.3° | 30.0° |
| C14 | C12 | C13 | H16 | 122.7° | 150.0° |
| C12 | C14 | H17 | H18 | 120.0° | 119.9° |
| C12 | C14 | H17 | H19 | 120.0° | 120.0° |
| C12 | C14 | H18 | H19 | 120.0° | 120.0° |
| C08 | C07 | C06 | H10 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 132.9° | 120.4° |
| C08 | C07 | C06 | H8 | 110.5° | 0.5° |
| C08 | C07 | C06 | H9 | 16.2° | 119.5° |
| C07 | C08 | C09 | H11 | 70.3° | 25.0° |
| C07 | C08 | C09 | H12 | 170.0° | 145.0° |
| C07 | C08 | C15 | H20 | 5.2° | 85.5° |
| C07 | C08 | C15 | H21 | 114.8° | 154.5° |
| C07 | C08 | C15 | H22 | 125.2° | 34.6° |
| C15 | C08 | C07 | C06 | 4.2° | 6.0° |
| C15 | C08 | C07 | H10 | 175.8° | 173.9° |
| C15 | C08 | C09 | H11 | 104.4° | 155.0° |
| C15 | C08 | C09 | H12 | 15.3° | 35.0° |
| C08 | C15 | H20 | H21 | 120.0° | 120.0° |
| C08 | C15 | H20 | H22 | 120.0° | 120.1° |
| C08 | C15 | H21 | H22 | 120.0° | 120.0° |
| C07 | C06 | C05 | H8 | 116.7° | 120.0° |
| C07 | C06 | C05 | H9 | 116.7° | 120.0° |
| C07 | C06 | C05 | C04 | 126.4° | 180.0° |
| C07 | C06 | C05 | H6 | 114.0° | 60.0° |
| C07 | C06 | C05 | H7 | 6.8° | 60.0° |
| C07 | C06 | H8 | H9 | 129.0° | 120.0° |
| C16 | C04 | C05 | C06 | 137.8° | 85.0° |
| C16 | C04 | C05 | C03 | 178.5° | 179.9° |
| C16 | C04 | C03 | C02 | 0.1° | 5.9° |
| C16 | C04 | C03 | H5 | 179.9° | 174.1° |
| C16 | C04 | C05 | H6 | 102.6° | 35.0° |
| C16 | C04 | C05 | H7 | 18.2° | 155.0° |
| C04 | C16 | H23 | H24 | 120.0° | 120.0° |
| C04 | C16 | H23 | H25 | 120.0° | 120.0° |
| C04 | C16 | H24 | H25 | 120.0° | 119.9° |
| C06 | C05 | C04 | H6 | 119.6° | 120.0° |
| C06 | C05 | C04 | H7 | 119.6° | 120.0° |
| C06 | C05 | C04 | C03 | 43.7° | 95.0° |
| C06 | C05 | H6 | H7 | 121.2° | 120.0° |
| C05 | C06 | H8 | H9 | 128.9° | 119.9° |
| C05 | C06 | C07 | H10 | 47.1° | 59.5° |
| C05 | C04 | C03 | C02 | 178.3° | 174.0° |
| C05 | C04 | C03 | H5 | 1.7° | 6.0° |
| C04 | C05 | H6 | H7 | 121.2° | 120.0° |
| C04 | C05 | C06 | H8 | 9.7° | 60.0° |
| C04 | C05 | C06 | H9 | 116.9° | 59.9° |
| C05 | C04 | C16 | H23 | 180.0° | 94.7° |
| C05 | C04 | C16 | H24 | 60.0° | 25.3° |
| C05 | C04 | C16 | H25 | 60.0° | 145.2° |
| C04 | C03 | C02 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | S01 | 177.1° | 116.5° |
| C04 | C03 | C02 | H3 | 58.3° | 123.6° |
| C04 | C03 | C02 | H4 | 64.1° | 3.6° |
| C03 | C04 | C05 | H6 | 75.9° | 145.0° |
| C03 | C04 | C05 | H7 | 163.3° | 25.0° |
| C03 | C04 | C16 | H23 | 1.5° | 85.2° |
| C03 | C04 | C16 | H24 | 118.5° | 154.8° |
| C03 | C04 | C16 | H25 | 121.6° | 34.8° |
| C03 | C02 | S01 | H3 | 118.8° | 120.0° |
| C03 | C02 | S01 | H4 | 118.8° | 120.0° |
| C03 | C02 | H3 | H4 | 123.5° | 120.0° |
| C03 | C02 | S01 | H26 | 180.0° | 180.0° |
| S01 | C02 | H3 | H4 | 123.4° | 120.0° |
| S01 | C02 | C03 | H5 | 2.9° | 63.5° |
| H1 | C10 | C09 | H11 | 71.1° | 60.0° |
| H1 | C10 | C09 | H12 | 48.6° | 180.0° |
| H1 | C10 | C11 | H13 | 88.9° | 175.0° |
| H2 | C10 | C09 | H11 | 57.6° | 180.0° |
| H2 | C10 | C09 | H12 | 177.3° | 60.0° |
| H2 | C10 | C11 | H13 | 142.3° | 65.0° |
| H3 | C02 | C03 | H5 | 121.7° | 56.4° |
| H3 | C02 | S01 | H26 | 61.2° | 60.0° |
| H4 | C02 | C03 | H5 | 115.9° | 176.4° |
| H4 | C02 | S01 | H26 | 61.2° | 59.9° |
| H6 | C05 | C06 | H8 | 129.3° | 179.9° |
| H6 | C05 | C06 | H9 | 2.7° | 60.0° |
| H7 | C05 | C06 | H8 | 109.9° | 60.0° |
| H7 | C05 | C06 | H9 | 123.5° | 180.0° |
| H8 | C06 | C07 | H10 | 69.5° | 179.5° |
| H9 | C06 | C07 | H10 | 163.8° | 60.5° |
| H14 | C13 | H15 | H16 | 120.0° | 120.1° |
| H17 | C14 | H18 | H19 | 120.0° | 120.1° |
| H20 | C15 | H21 | H22 | 119.9° | 120.0° |
| H23 | C16 | H24 | H25 | 120.0° | 120.1° |
