FBM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C07 | sing | 1.53Å | 1.51Å | |
C08 | C09 | sing | 1.53Å | 1.52Å | |
C07 | C06 | sing | 1.50Å | 1.49Å | |
C09 | C10 | sing | 1.53Å | 1.52Å | |
C06 | C05 | doub | 1.32Å | 1.36Å | |
C05 | C10 | sing | 1.50Å | 1.46Å | |
C05 | C02 | sing | 1.47Å | 1.49Å | |
N03 | C02 | sing | 1.35Å | 1.34Å | |
N03 | O04 | sing | 1.42Å | 1.38Å | |
C02 | O01 | doub | 1.22Å | 1.25Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
N03 | H12 | sing | 0.97Å | 1.00Å | |
O04 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | C08 | C09 | 110.8° | 108.4° |
C08 | C07 | C06 | 112.6° | 110.1° |
C08 | C07 | H6 | 108.7° | 109.3° |
C08 | C07 | H7 | 108.7° | 109.3° |
C07 | C08 | H9 | 109.1° | 109.6° |
C07 | C08 | H8 | 109.1° | 109.7° |
C08 | C09 | C10 | 114.5° | 108.7° |
C09 | C08 | H9 | 109.2° | 109.7° |
C09 | C08 | H8 | 109.1° | 109.6° |
C08 | C09 | H11 | 108.2° | 109.6° |
C08 | C09 | H10 | 108.2° | 109.6° |
C07 | C06 | C05 | 120.4° | 123.8° |
C07 | C06 | H4 | 119.8° | 118.1° |
C06 | C07 | H6 | 108.7° | 109.3° |
C06 | C07 | H7 | 108.7° | 109.4° |
C09 | C10 | C05 | 118.3° | 110.0° |
C09 | C10 | H1 | 107.2° | 109.4° |
C09 | C10 | H2 | 107.2° | 109.4° |
C10 | C09 | H11 | 108.2° | 109.5° |
C10 | C09 | H10 | 108.2° | 109.6° |
C06 | C05 | C10 | 122.0° | 123.8° |
C06 | C05 | C02 | 124.4° | 118.1° |
C05 | C06 | H4 | 119.8° | 118.1° |
C10 | C05 | C02 | 113.5° | 118.1° |
C05 | C10 | H1 | 107.2° | 109.4° |
C05 | C10 | H2 | 107.2° | 109.3° |
C05 | C02 | N03 | 115.7° | 119.9° |
C05 | C02 | O01 | 125.5° | 120.0° |
C02 | N03 | O04 | 118.2° | 120.0° |
N03 | C02 | O01 | 118.8° | 120.1° |
C02 | N03 | H12 | 120.9° | 120.0° |
O04 | N03 | H12 | 120.9° | 120.0° |
N03 | O04 | H13 | 109.5° | 114.0° |
H1 | C10 | H2 | 109.5° | 109.3° |
H6 | C07 | H7 | 109.5° | 109.4° |
H9 | C08 | H8 | 109.5° | 109.8° |
H11 | C09 | H10 | 109.4° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | C08 | C09 | H9 | 120.2° | 119.7° |
C07 | C08 | C09 | H8 | 120.2° | 119.7° |
C08 | C07 | C06 | H6 | 120.5° | 120.2° |
C08 | C07 | C06 | H7 | 120.5° | 120.1° |
C07 | C08 | C09 | C10 | 44.7° | 68.1° |
C08 | C07 | C06 | C05 | 34.1° | 17.2° |
C08 | C07 | C06 | H4 | 145.9° | 162.8° |
C08 | C07 | H6 | H7 | 118.6° | 119.6° |
C07 | C08 | H9 | H8 | 119.4° | 120.5° |
C07 | C08 | C09 | H11 | 76.0° | 172.3° |
C07 | C08 | C09 | H10 | 165.5° | 51.7° |
C09 | C08 | C07 | C06 | 53.1° | 49.7° |
C08 | C09 | C10 | H11 | 120.7° | 119.7° |
C08 | C09 | C10 | H10 | 120.8° | 119.8° |
C08 | C09 | C10 | C05 | 16.6° | 49.8° |
C08 | C09 | C10 | H1 | 137.9° | 70.3° |
C08 | C09 | C10 | H2 | 104.6° | 169.9° |
C09 | C08 | C07 | H6 | 173.6° | 70.5° |
C09 | C08 | C07 | H7 | 67.4° | 169.9° |
C09 | C08 | H9 | H8 | 119.4° | 120.5° |
C08 | C09 | H11 | H10 | 117.7° | 120.5° |
C07 | C06 | C05 | H4 | 180.0° | 180.0° |
C07 | C06 | C05 | C10 | 4.3° | 0.4° |
C07 | C06 | C05 | C02 | 179.0° | 179.6° |
C06 | C07 | H6 | H7 | 118.6° | 119.8° |
C06 | C07 | C08 | H9 | 173.3° | 169.4° |
C06 | C07 | C08 | H8 | 67.1° | 70.0° |
C09 | C10 | C05 | C06 | 4.6° | 17.1° |
C09 | C10 | C05 | H1 | 121.2° | 120.2° |
C09 | C10 | C05 | H2 | 121.3° | 120.2° |
C09 | C10 | C05 | C02 | 172.3° | 162.9° |
C09 | C10 | H1 | H2 | 116.0° | 119.8° |
C10 | C09 | C08 | H9 | 165.0° | 172.2° |
C10 | C09 | C08 | H8 | 75.4° | 51.6° |
C10 | C09 | H11 | H10 | 117.7° | 120.4° |
C06 | C05 | C10 | C02 | 177.0° | 180.0° |
C06 | C05 | C02 | N03 | 19.4° | 180.0° |
C06 | C05 | C02 | O01 | 161.7° | 0.1° |
C06 | C05 | C10 | H1 | 116.6° | 103.0° |
C06 | C05 | C10 | H2 | 125.9° | 137.3° |
C05 | C06 | C07 | H6 | 154.5° | 103.0° |
C05 | C06 | C07 | H7 | 86.4° | 137.3° |
C10 | C05 | C02 | N03 | 157.5° | 0.1° |
C10 | C05 | C02 | O01 | 21.4° | 180.0° |
C05 | C10 | H1 | H2 | 116.0° | 119.7° |
C10 | C05 | C06 | H4 | 175.6° | 179.5° |
C05 | C10 | C09 | H11 | 104.1° | 169.5° |
C05 | C10 | C09 | H10 | 137.4° | 70.0° |
C05 | C02 | N03 | O01 | 178.9° | 179.9° |
C05 | C02 | N03 | O04 | 178.3° | 180.0° |
C02 | C05 | C10 | H1 | 66.4° | 76.9° |
C02 | C05 | C10 | H2 | 51.1° | 42.7° |
C02 | C05 | C06 | H4 | 1.0° | 0.4° |
C05 | C02 | N03 | H12 | 1.7° | 0.0° |
C02 | N03 | O04 | H12 | 180.0° | 180.0° |
C02 | N03 | O04 | H13 | 0.3° | 180.0° |
O04 | N03 | C02 | O01 | 0.6° | 0.1° |
O01 | C02 | N03 | H12 | 179.4° | 180.0° |
H1 | C10 | C09 | H11 | 17.1° | 49.4° |
H1 | C10 | C09 | H10 | 101.4° | 169.9° |
H2 | C10 | C09 | H11 | 134.6° | 70.4° |
H2 | C10 | C09 | H10 | 16.1° | 50.1° |
H4 | C06 | C07 | H6 | 25.5° | 77.1° |
H4 | C06 | C07 | H7 | 93.6° | 42.7° |
H6 | C07 | C08 | H9 | 66.2° | 49.3° |
H6 | C07 | C08 | H8 | 53.4° | 169.9° |
H7 | C07 | C08 | H9 | 52.9° | 70.4° |
H7 | C07 | C08 | H8 | 172.5° | 50.2° |
H9 | C08 | C09 | H11 | 44.2° | 52.6° |
H9 | C08 | C09 | H10 | 74.3° | 68.0° |
H8 | C08 | C09 | H11 | 163.8° | 68.1° |
H8 | C08 | C09 | H10 | 45.3° | 171.4° |
H12 | N03 | O04 | H13 | 179.7° | 0.0° |