FP0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.55Å | 1.54Å | |
C2 | C12 | sing | 1.54Å | 1.52Å | |
C2 | O1 | sing | 1.44Å | 1.45Å | |
C6 | C5 | sing | 1.54Å | 1.57Å | |
C6 | C11 | sing | 1.53Å | 1.55Å | |
C6 | C7 | sing | 1.53Å | 1.55Å | |
C6 | C15 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.55Å | 1.54Å | |
C5 | C12 | sing | 1.54Å | 1.54Å | |
C5 | C14 | sing | 1.53Å | 1.55Å | |
C4 | C3 | sing | 1.54Å | 1.55Å | |
C3 | O3 | sing | 1.45Å | 1.42Å | |
C11 | C10 | sing | 1.50Å | 1.54Å | |
C11 | O1 | sing | 1.43Å | 1.45Å | |
C10 | C9 | doub | 1.29Å | 1.36Å | |
C9 | C8 | sing | 1.50Å | 1.51Å | |
C9 | C16 | sing | 1.51Å | 1.50Å | |
C8 | C7 | sing | 1.53Å | 1.52Å | |
C12 | C13 | sing | 1.51Å | 1.50Å | |
C12 | O2 | sing | 1.41Å | 1.43Å | |
C13 | O2 | sing | 1.43Å | 1.46Å | |
O4 | C17 | doub | 1.21Å | 1.23Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C17 | O3 | sing | 1.34Å | 1.41Å | |
C15 | O12 | sing | 1.43Å | 1.44Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C18 | H18B | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C14 | H14B | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C16 | H16B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C12 | 96.5° | 103.3° |
C3 | C2 | O1 | 112.6° | 107.0° |
C2 | C3 | C4 | 106.4° | 106.2° |
C2 | C3 | O3 | 108.5° | 110.1° |
C3 | C2 | H2 | 115.5° | 113.0° |
C2 | C3 | H3 | 113.8° | 110.2° |
C12 | C2 | O1 | 108.9° | 106.2° |
C2 | C12 | C5 | 105.8° | 102.4° |
C2 | C12 | C13 | 120.7° | 122.9° |
C2 | C12 | O2 | 119.5° | 123.4° |
C12 | C2 | H2 | 118.9° | 113.0° |
C2 | O1 | C11 | 119.7° | 114.4° |
O1 | C2 | H2 | 104.5° | 113.5° |
C5 | C6 | C11 | 110.7° | 109.5° |
C5 | C6 | C7 | 108.9° | 109.5° |
C5 | C6 | C15 | 108.6° | 109.6° |
C6 | C5 | C4 | 112.0° | 106.3° |
C6 | C5 | C12 | 108.2° | 106.4° |
C6 | C5 | C14 | 114.1° | 113.0° |
C11 | C6 | C7 | 108.5° | 108.8° |
C11 | C6 | C15 | 106.3° | 109.5° |
C6 | C11 | C10 | 111.6° | 109.6° |
C6 | C11 | O1 | 114.5° | 111.5° |
C6 | C11 | H11 | 104.3° | 109.2° |
C7 | C6 | C15 | 113.9° | 109.9° |
C6 | C7 | C8 | 112.4° | 108.4° |
C6 | C7 | H7 | 108.5° | 109.7° |
C6 | C7 | H7A | 107.9° | 109.7° |
C6 | C15 | O12 | 114.4° | 109.5° |
C6 | C15 | H15 | 107.8° | 109.5° |
C6 | C15 | H15A | 106.7° | 109.4° |
C4 | C5 | C12 | 97.4° | 103.1° |
C4 | C5 | C14 | 108.1° | 113.2° |
C5 | C4 | C3 | 107.0° | 105.9° |
C5 | C4 | H4 | 110.3° | 110.1° |
C5 | C4 | H4A | 110.8° | 110.2° |
C12 | C5 | C14 | 116.0° | 114.0° |
C5 | C12 | C13 | 123.5° | 122.8° |
C5 | C12 | O2 | 122.4° | 123.4° |
C5 | C14 | H14 | 109.5° | 109.5° |
C5 | C14 | H14A | 109.4° | 109.4° |
C5 | C14 | H14B | 109.4° | 109.5° |
C4 | C3 | O3 | 114.2° | 110.1° |
C3 | C4 | H4 | 110.3° | 110.1° |
C3 | C4 | H4A | 110.9° | 110.2° |
C4 | C3 | H3 | 108.1° | 110.1° |
C3 | O3 | C17 | 120.5° | 117.0° |
O3 | C3 | H3 | 106.0° | 110.1° |
C10 | C11 | O1 | 109.3° | 108.9° |
C11 | C10 | C9 | 123.5° | 123.8° |
C10 | C11 | H11 | 110.1° | 109.2° |
C11 | C10 | H10 | 118.3° | 118.1° |
O1 | C11 | H11 | 106.8° | 108.4° |
C10 | C9 | C8 | 123.0° | 124.5° |
C10 | C9 | C16 | 120.7° | 117.7° |
C9 | C10 | H10 | 118.3° | 118.2° |
C8 | C9 | C16 | 116.3° | 117.8° |
C9 | C8 | C7 | 109.4° | 110.2° |
C9 | C8 | H8 | 109.5° | 109.4° |
C9 | C8 | H8A | 109.6° | 109.4° |
C9 | C16 | H16 | 109.5° | 109.5° |
C9 | C16 | H16A | 109.4° | 109.4° |
C9 | C16 | H16B | 109.5° | 109.5° |
C7 | C8 | H8 | 109.5° | 109.4° |
C7 | C8 | H8A | 109.5° | 109.3° |
C8 | C7 | H7 | 108.5° | 109.7° |
C8 | C7 | H7A | 107.8° | 109.7° |
C13 | C12 | O2 | 59.7° | 58.6° |
C12 | C13 | O2 | 57.6° | 57.1° |
C12 | C13 | H13 | 132.3° | 117.8° |
C12 | C13 | H13A | 137.3° | 117.9° |
C12 | O2 | C13 | 62.7° | 64.4° |
O2 | C13 | H13 | 132.3° | 117.8° |
O2 | C13 | H13A | 137.3° | 117.8° |
O4 | C17 | C18 | 127.3° | 120.0° |
O4 | C17 | O3 | 117.8° | 120.0° |
C18 | C17 | O3 | 114.8° | 120.0° |
C17 | C18 | H18 | 109.5° | 109.5° |
C17 | C18 | H18A | 109.5° | 109.5° |
C17 | C18 | H18B | 109.4° | 109.5° |
O12 | C15 | H15 | 107.9° | 109.5° |
O12 | C15 | H15A | 106.7° | 109.5° |
C15 | O12 | HO12 | 109.5° | 114.0° |
H4 | C4 | H4A | 107.6° | 110.2° |
H8 | C8 | H8A | 109.4° | 109.2° |
H13 | C13 | H13A | 72.9° | 115.8° |
H18 | C18 | H18A | 109.5° | 109.5° |
H18 | C18 | H18B | 109.5° | 109.4° |
H18A | C18 | H18B | 109.5° | 109.5° |
H14 | C14 | H14A | 109.5° | 109.5° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.4° |
H7 | C7 | H7A | 111.8° | 109.7° |
H15 | C15 | H15A | 113.4° | 109.4° |
H16 | C16 | H16A | 109.5° | 109.5° |
H16 | C16 | H16B | 109.5° | 109.5° |
H16A | C16 | H16B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C12 | O1 | 116.6° | 112.4° |
C3 | C2 | C12 | H2 | 124.0° | 122.5° |
C3 | C2 | O1 | H2 | 126.1° | 125.4° |
C2 | C3 | C4 | C5 | 5.3° | 1.0° |
C3 | C2 | C12 | C5 | 51.3° | 41.6° |
C2 | C3 | C4 | O3 | 119.7° | 119.2° |
C2 | C3 | C4 | H3 | 122.6° | 119.2° |
C2 | C3 | O3 | H3 | 122.6° | 121.7° |
C3 | C2 | O1 | C11 | 53.4° | 44.8° |
C3 | C2 | C12 | C13 | 162.0° | 175.0° |
C3 | C2 | C12 | O2 | 91.8° | 103.5° |
C2 | C3 | O3 | C17 | 174.4° | 150.0° |
C2 | C3 | C4 | H4 | 125.4° | 118.1° |
C2 | C3 | C4 | H4A | 115.6° | 120.2° |
C12 | C2 | O1 | H2 | 128.0° | 124.8° |
C2 | C12 | C5 | C6 | 67.8° | 69.5° |
C2 | C12 | C5 | C4 | 48.2° | 42.2° |
C2 | C12 | C5 | C13 | 145.5° | 143.5° |
C2 | C12 | C5 | O2 | 141.8° | 145.1° |
C2 | C12 | C5 | C14 | 162.5° | 165.3° |
C12 | C2 | C3 | C4 | 33.1° | 25.0° |
C12 | C2 | C3 | O3 | 156.3° | 144.2° |
C12 | C2 | O1 | C11 | 52.5° | 65.0° |
C2 | C12 | C13 | O2 | 108.4° | 111.9° |
C12 | C2 | C3 | H3 | 85.9° | 94.2° |
C2 | C12 | C13 | H13 | 11.6° | 5.2° |
C2 | C12 | C13 | H13A | 125.0° | 141.4° |
C2 | O1 | C11 | C6 | 38.6° | 53.6° |
O1 | C2 | C12 | C5 | 65.3° | 70.8° |
O1 | C2 | C3 | C4 | 80.5° | 86.8° |
O1 | C2 | C3 | O3 | 42.7° | 32.3° |
C2 | O1 | C11 | C10 | 164.6° | 174.7° |
O1 | C2 | C12 | C13 | 81.3° | 72.6° |
O1 | C2 | C12 | O2 | 151.6° | 144.1° |
O1 | C2 | C3 | H3 | 160.5° | 154.0° |
C2 | O1 | C11 | H11 | 76.4° | 66.6° |
C5 | C6 | C11 | C7 | 119.4° | 119.7° |
C5 | C6 | C11 | C15 | 117.7° | 120.2° |
C5 | C6 | C7 | C15 | 121.3° | 120.4° |
C6 | C5 | C4 | C12 | 113.1° | 111.7° |
C6 | C5 | C4 | C14 | 126.5° | 124.7° |
C6 | C5 | C12 | C14 | 129.7° | 125.3° |
C6 | C5 | C4 | C3 | 88.6° | 85.1° |
C5 | C6 | C11 | C10 | 162.6° | 170.4° |
C5 | C6 | C11 | O1 | 37.8° | 49.7° |
C5 | C6 | C7 | C8 | 174.4° | 172.7° |
C6 | C5 | C12 | C13 | 77.6° | 74.0° |
C6 | C5 | C12 | O2 | 150.4° | 145.4° |
C5 | C6 | C15 | O12 | 87.2° | 180.0° |
C6 | C5 | C4 | H4 | 151.4° | 155.8° |
C6 | C5 | C4 | H4A | 32.3° | 34.1° |
C5 | C6 | C11 | H11 | 78.6° | 70.0° |
C6 | C5 | C14 | H14 | 10.9° | 60.0° |
C6 | C5 | C14 | H14A | 130.9° | 180.0° |
C6 | C5 | C14 | H14B | 109.1° | 60.1° |
C5 | C6 | C7 | H7 | 54.4° | 53.0° |
C5 | C6 | C7 | H7A | 66.9° | 67.6° |
C5 | C6 | C15 | H15 | 152.8° | 59.9° |
C5 | C6 | C15 | H15A | 30.6° | 60.0° |
C11 | C6 | C7 | C15 | 118.1° | 119.9° |
C11 | C6 | C5 | C4 | 52.4° | 49.6° |
C11 | C6 | C5 | C12 | 53.8° | 59.8° |
C11 | C6 | C5 | C14 | 175.5° | 174.4° |
C6 | C11 | C10 | O1 | 127.6° | 122.2° |
C6 | C11 | C10 | H11 | 115.3° | 119.5° |
C6 | C11 | O1 | H11 | 115.0° | 120.2° |
C6 | C11 | C10 | C9 | 15.6° | 18.3° |
C11 | C6 | C7 | C8 | 65.1° | 67.6° |
C11 | C6 | C15 | O12 | 153.7° | 59.8° |
C6 | C11 | C10 | H10 | 164.4° | 161.7° |
C11 | C6 | C7 | H7 | 175.0° | 172.7° |
C11 | C6 | C7 | H7A | 53.7° | 52.1° |
C11 | C6 | C15 | H15 | 33.7° | 60.3° |
C11 | C6 | C15 | H15A | 88.5° | 179.8° |
C7 | C6 | C5 | C4 | 171.5° | 168.7° |
C7 | C6 | C5 | C12 | 65.4° | 59.4° |
C7 | C6 | C5 | C14 | 65.3° | 66.4° |
C7 | C6 | C11 | C10 | 43.2° | 50.7° |
C7 | C6 | C11 | O1 | 81.6° | 69.9° |
C6 | C7 | C8 | C9 | 52.8° | 48.2° |
C6 | C7 | C8 | H7 | 120.0° | 119.8° |
C6 | C7 | C8 | H7A | 118.8° | 119.7° |
C7 | C6 | C15 | O12 | 34.3° | 59.6° |
C7 | C6 | C11 | H11 | 162.0° | 170.3° |
C6 | C7 | C8 | H8 | 172.8° | 168.4° |
C6 | C7 | C8 | H8A | 67.3° | 72.1° |
C6 | C7 | H7 | H7A | 118.8° | 120.6° |
C7 | C6 | C15 | H15 | 85.7° | 179.7° |
C7 | C6 | C15 | H15A | 152.1° | 60.4° |
C15 | C6 | C5 | C4 | 64.0° | 70.7° |
C15 | C6 | C5 | C12 | 170.1° | 180.0° |
C15 | C6 | C5 | C14 | 59.2° | 54.1° |
C15 | C6 | C11 | C10 | 79.7° | 69.4° |
C15 | C6 | C11 | O1 | 155.6° | 170.0° |
C15 | C6 | C7 | C8 | 53.1° | 52.3° |
C6 | C15 | O12 | H15 | 120.0° | 120.0° |
C6 | C15 | O12 | H15A | 117.8° | 120.0° |
C15 | C6 | C11 | H11 | 39.1° | 50.2° |
C15 | C6 | C7 | H7 | 66.9° | 67.4° |
C15 | C6 | C7 | H7A | 171.8° | 172.0° |
C6 | C15 | H15 | H15A | 118.0° | 120.0° |
C6 | C15 | O12 | HO12 | 137.9° | 180.0° |
C4 | C5 | C12 | C14 | 114.3° | 123.1° |
C5 | C4 | C3 | H4 | 120.0° | 119.1° |
C5 | C4 | C3 | H4A | 120.9° | 119.2° |
C5 | C4 | C3 | O3 | 125.0° | 118.2° |
C4 | C5 | C12 | C13 | 166.3° | 174.4° |
C4 | C5 | C12 | O2 | 93.6° | 102.9° |
C5 | C4 | H4 | H4A | 121.0° | 121.8° |
C5 | C4 | C3 | H3 | 117.3° | 120.2° |
C4 | C5 | C14 | H14 | 114.3° | 61.0° |
C4 | C5 | C14 | H14A | 5.7° | 59.1° |
C4 | C5 | C14 | H14B | 125.7° | 179.0° |
C12 | C5 | C4 | C3 | 24.4° | 26.6° |
C5 | C12 | C13 | O2 | 110.9° | 111.9° |
C5 | C12 | C2 | H2 | 175.3° | 164.1° |
C12 | C5 | C4 | H4 | 95.6° | 92.5° |
C12 | C5 | C4 | H4A | 145.4° | 145.8° |
C5 | C12 | C13 | H13 | 129.0° | 141.4° |
C5 | C12 | C13 | H13A | 15.6° | 5.2° |
C12 | C5 | C14 | H14 | 137.6° | 178.3° |
C12 | C5 | C14 | H14A | 102.3° | 58.3° |
C12 | C5 | C14 | H14B | 17.7° | 61.6° |
C14 | C5 | C4 | C3 | 144.9° | 150.2° |
C14 | C5 | C12 | C13 | 52.0° | 51.3° |
C14 | C5 | C12 | O2 | 20.7° | 20.2° |
C14 | C5 | C4 | H4 | 24.9° | 31.1° |
C14 | C5 | C4 | H4A | 94.1° | 90.6° |
C5 | C14 | H14 | H14A | 120.0° | 120.0° |
C5 | C14 | H14 | H14B | 120.0° | 120.1° |
C5 | C14 | H14A | H14B | 120.0° | 119.9° |
C4 | C3 | O3 | H3 | 118.9° | 121.6° |
C4 | C3 | O3 | C17 | 67.2° | 93.2° |
C4 | C3 | C2 | H2 | 159.5° | 147.5° |
C3 | C4 | H4 | H4A | 121.0° | 121.8° |
C3 | O3 | C17 | O4 | 4.6° | 0.0° |
C3 | O3 | C17 | C18 | 174.9° | 180.0° |
O3 | C3 | C2 | H2 | 77.2° | 93.4° |
O3 | C3 | C4 | H4 | 115.0° | 122.7° |
O3 | C3 | C4 | H4A | 4.0° | 1.0° |
C10 | C11 | O1 | H11 | 119.1° | 118.7° |
C11 | C10 | C9 | H10 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 4.7° | 0.6° |
C11 | C10 | C9 | C16 | 176.4° | 179.4° |
O1 | C11 | C10 | C9 | 112.0° | 103.9° |
C11 | O1 | C2 | H2 | 179.5° | 170.2° |
O1 | C11 | C10 | H10 | 68.0° | 76.1° |
C10 | C9 | C8 | C16 | 179.0° | 180.0° |
C10 | C9 | C8 | C7 | 22.6° | 16.0° |
C9 | C10 | C11 | H11 | 130.9° | 137.9° |
C10 | C9 | C8 | H8 | 142.6° | 136.3° |
C10 | C9 | C8 | H8A | 97.5° | 104.2° |
C10 | C9 | C16 | H16 | 74.3° | 0.0° |
C10 | C9 | C16 | H16A | 45.7° | 120.0° |
C10 | C9 | C16 | H16B | 165.8° | 120.0° |
C9 | C8 | C7 | H8 | 120.0° | 120.3° |
C9 | C8 | C7 | H8A | 120.1° | 120.2° |
C8 | C9 | C10 | H10 | 175.3° | 179.4° |
C9 | C8 | H8 | H8A | 120.1° | 119.6° |
C9 | C8 | C7 | H7 | 172.8° | 167.9° |
C9 | C8 | C7 | H7A | 66.0° | 71.6° |
C8 | C9 | C16 | H16 | 106.7° | 180.0° |
C8 | C9 | C16 | H16A | 133.3° | 60.0° |
C8 | C9 | C16 | H16B | 13.2° | 60.0° |
C16 | C9 | C8 | C7 | 158.5° | 164.0° |
C16 | C9 | C10 | H10 | 3.6° | 0.6° |
C16 | C9 | C8 | H8 | 38.5° | 43.7° |
C16 | C9 | C8 | H8A | 81.5° | 75.8° |
C9 | C16 | H16 | H16A | 120.0° | 120.0° |
C9 | C16 | H16 | H16B | 120.0° | 120.0° |
C9 | C16 | H16A | H16B | 120.0° | 120.0° |
C7 | C8 | H8 | H8A | 120.0° | 119.6° |
C8 | C7 | H7 | H7A | 118.8° | 120.5° |
C12 | C13 | O2 | H13 | 120.0° | 106.6° |
C12 | C13 | O2 | H13A | 126.5° | 106.7° |
C13 | C12 | C2 | H2 | 38.1° | 52.5° |
C12 | C13 | H13 | H13A | 139.3° | 147.3° |
O2 | C12 | C2 | H2 | 32.2° | 19.0° |
O2 | C13 | H13 | H13A | 139.4° | 147.3° |
O4 | C17 | C18 | O3 | 179.4° | 180.0° |
O4 | C17 | C18 | H18 | 63.2° | 90.0° |
O4 | C17 | C18 | H18A | 56.8° | 149.9° |
O4 | C17 | C18 | H18B | 176.8° | 30.0° |
C17 | C18 | H18 | H18A | 120.0° | 120.0° |
C17 | C18 | H18 | H18B | 120.0° | 120.0° |
C17 | C18 | H18A | H18B | 120.0° | 120.0° |
C17 | O3 | C3 | H3 | 51.7° | 28.3° |
O3 | C17 | C18 | H18 | 117.4° | 90.0° |
O3 | C17 | C18 | H18A | 122.6° | 30.0° |
O3 | C17 | C18 | H18B | 2.6° | 150.0° |
O12 | C15 | H15 | H15A | 118.0° | 120.0° |
H2 | C2 | C3 | H3 | 40.6° | 28.3° |
H4 | C4 | C3 | H3 | 2.7° | 1.2° |
H4A | C4 | C3 | H3 | 121.8° | 120.6° |
H11 | C11 | C10 | H10 | 49.1° | 42.2° |
H8 | C8 | C7 | H7 | 67.2° | 71.8° |
H8 | C8 | C7 | H7A | 54.0° | 48.7° |
H8A | C8 | C7 | H7 | 52.7° | 47.7° |
H8A | C8 | C7 | H7A | 174.0° | 168.2° |
H18 | C18 | H18A | H18B | 120.0° | 120.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H15 | C15 | O12 | HO12 | 17.9° | 60.0° |
H15A | C15 | O12 | HO12 | 104.3° | 60.0° |
H16 | C16 | H16A | H16B | 120.0° | 120.0° |