FM7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F1 | C30 | sing | 1.40Å | 1.32Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C1 | sing | 1.53Å | 1.53Å | |
C30 | F2 | sing | 1.40Å | 1.33Å | |
C30 | F3 | sing | 1.40Å | 1.33Å | |
C30 | C20 | sing | 1.51Å | 1.51Å | |
C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
C23 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C18 | N2 | sing | 1.40Å | 1.36Å | |
N2 | C13 | sing | 1.39Å | 1.36Å | |
C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
C12 | C4 | sing | 1.48Å | 1.52Å | |
C4 | O1 | doub | 1.22Å | 1.20Å | |
C4 | N1 | sing | 1.35Å | 1.33Å | |
N1 | O2 | sing | 1.42Å | 1.42Å | |
N1 | C2 | sing | 1.46Å | 1.47Å | |
C1 | PA1 | sing | 1.82Å | 1.84Å | |
C1 | C6 | sing | 1.51Å | 1.50Å | |
PA1 | OP3 | sing | 1.61Å | 1.52Å | |
PA1 | OP2 | doub | 1.48Å | 1.50Å | |
PA1 | OP1 | sing | 1.61Å | 1.52Å | |
C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C9 | CL2 | sing | 1.74Å | 1.75Å | |
C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | CL1 | sing | 1.74Å | 1.78Å | |
C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
C3 | H31C | sing | 1.09Å | 1.10Å | |
C3 | H32C | sing | 1.09Å | 1.10Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
O2 | HA | sing | 0.97Å | 0.95Å | |
OP3 | HP3 | sing | 0.97Å | 0.95Å | |
OP1 | HP1 | sing | 0.97Å | 0.95Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C30 | F2 | 111.3° | 109.5° |
F1 | C30 | F3 | 107.3° | 109.5° |
F1 | C30 | C20 | 109.2° | 109.5° |
C2 | C3 | C1 | 113.0° | 109.5° |
C3 | C2 | N1 | 115.5° | 109.5° |
C2 | C3 | H31C | 108.6° | 109.5° |
C2 | C3 | H32C | 108.6° | 109.4° |
C3 | C2 | H21C | 108.0° | 109.4° |
C3 | C2 | H22C | 108.0° | 109.5° |
C3 | C1 | PA1 | 112.9° | 109.5° |
C3 | C1 | C6 | 122.1° | 109.5° |
C1 | C3 | H31C | 108.6° | 109.5° |
C1 | C3 | H32C | 108.6° | 109.5° |
C3 | C1 | H1 | 104.7° | 109.5° |
F2 | C30 | F3 | 109.7° | 109.4° |
F2 | C30 | C20 | 106.2° | 109.5° |
F3 | C30 | C20 | 113.2° | 109.4° |
C30 | C20 | C21 | 123.0° | 120.0° |
C30 | C20 | C19 | 117.7° | 119.9° |
C21 | C20 | C19 | 119.2° | 120.0° |
C20 | C21 | C22 | 119.5° | 120.2° |
C20 | C21 | H21 | 120.3° | 119.9° |
C20 | C19 | C18 | 121.7° | 119.9° |
C20 | C19 | H19 | 119.2° | 120.1° |
C21 | C22 | C23 | 120.9° | 120.1° |
C22 | C21 | H21 | 120.3° | 119.9° |
C21 | C22 | H22 | 119.5° | 119.9° |
C22 | C23 | C18 | 118.9° | 119.9° |
C23 | C22 | H22 | 119.6° | 120.0° |
C22 | C23 | H23 | 120.6° | 120.0° |
C23 | C18 | C19 | 119.8° | 119.9° |
C23 | C18 | N2 | 121.0° | 120.0° |
C18 | C23 | H23 | 120.5° | 120.1° |
C19 | C18 | N2 | 119.2° | 120.1° |
C18 | C19 | H19 | 119.1° | 120.0° |
C18 | N2 | C13 | 122.1° | 120.0° |
C18 | N2 | H2 | 119.0° | 120.0° |
N2 | C13 | C14 | 120.7° | 120.2° |
N2 | C13 | C12 | 119.4° | 120.2° |
C13 | N2 | H2 | 118.9° | 120.0° |
C14 | C13 | C12 | 119.9° | 119.6° |
C13 | C14 | C15 | 120.1° | 120.1° |
C13 | C14 | H14 | 119.9° | 119.9° |
C13 | C12 | C17 | 119.8° | 119.6° |
C13 | C12 | C4 | 121.7° | 120.2° |
C14 | C15 | C16 | 120.3° | 120.4° |
C15 | C14 | H14 | 119.9° | 120.0° |
C14 | C15 | H15 | 119.8° | 119.8° |
C15 | C16 | C17 | 119.3° | 120.4° |
C16 | C15 | H15 | 119.9° | 119.8° |
C15 | C16 | H16 | 120.4° | 119.8° |
C16 | C17 | C12 | 120.6° | 119.9° |
C17 | C16 | H16 | 120.3° | 119.8° |
C16 | C17 | H17 | 119.7° | 120.1° |
C17 | C12 | C4 | 118.5° | 120.2° |
C12 | C17 | H17 | 119.7° | 120.0° |
C12 | C4 | O1 | 122.7° | 120.0° |
C12 | C4 | N1 | 120.5° | 120.0° |
O1 | C4 | N1 | 116.7° | 120.0° |
C4 | N1 | O2 | 120.3° | 120.1° |
C4 | N1 | C2 | 116.1° | 120.0° |
O2 | N1 | C2 | 123.6° | 120.0° |
N1 | O2 | HA | 109.5° | 114.0° |
N1 | C2 | H21C | 107.9° | 109.5° |
N1 | C2 | H22C | 107.9° | 109.5° |
PA1 | C1 | C6 | 107.6° | 109.5° |
C1 | PA1 | OP3 | 117.8° | 109.5° |
C1 | PA1 | OP2 | 101.6° | 109.4° |
C1 | PA1 | OP1 | 111.3° | 109.5° |
PA1 | C1 | H1 | 102.3° | 109.5° |
C1 | C6 | C11 | 118.8° | 120.0° |
C1 | C6 | C7 | 121.1° | 120.0° |
C6 | C1 | H1 | 105.1° | 109.5° |
OP3 | PA1 | OP2 | 105.9° | 109.4° |
OP3 | PA1 | OP1 | 108.8° | 109.5° |
PA1 | OP3 | HP3 | 109.5° | 114.0° |
OP2 | PA1 | OP1 | 111.2° | 109.5° |
PA1 | OP1 | HP1 | 109.5° | 114.0° |
C11 | C6 | C7 | 120.1° | 120.0° |
C6 | C11 | C10 | 121.8° | 120.0° |
C6 | C11 | H11 | 119.1° | 120.0° |
C6 | C7 | C8 | 118.3° | 120.0° |
C6 | C7 | H7 | 120.9° | 120.0° |
C11 | C10 | C9 | 119.4° | 120.0° |
C10 | C11 | H11 | 119.1° | 120.0° |
C11 | C10 | H10 | 120.3° | 120.0° |
C10 | C9 | CL2 | 119.1° | 120.0° |
C10 | C9 | C8 | 120.7° | 120.0° |
C9 | C10 | H10 | 120.3° | 120.0° |
CL2 | C9 | C8 | 120.2° | 120.0° |
C9 | C8 | CL1 | 118.0° | 120.0° |
C9 | C8 | C7 | 119.8° | 120.0° |
CL1 | C8 | C7 | 122.2° | 120.0° |
C8 | C7 | H7 | 120.9° | 120.1° |
H31C | C3 | H32C | 109.5° | 109.5° |
H21C | C2 | H22C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C30 | F2 | F3 | 118.6° | 120.0° |
F1 | C30 | F2 | C20 | 118.7° | 120.1° |
F1 | C30 | F3 | C20 | 120.6° | 120.0° |
F1 | C30 | C20 | C21 | 12.9° | 0.1° |
F1 | C30 | C20 | C19 | 166.2° | 179.7° |
C2 | C3 | C1 | H31C | 120.5° | 120.0° |
C2 | C3 | C1 | H32C | 120.5° | 120.0° |
C3 | C2 | N1 | C4 | 129.2° | 75.0° |
C3 | C2 | N1 | O2 | 53.9° | 105.0° |
C3 | C2 | N1 | H21C | 120.9° | 120.0° |
C3 | C2 | N1 | H22C | 120.9° | 120.0° |
C2 | C3 | C1 | PA1 | 174.7° | 175.7° |
C2 | C3 | C1 | C6 | 43.9° | 64.2° |
C2 | C3 | H31C | H32C | 118.4° | 120.0° |
C3 | C2 | H21C | H22C | 117.3° | 120.0° |
C2 | C3 | C1 | H1 | 74.8° | 55.7° |
C1 | C3 | C2 | N1 | 116.9° | 174.9° |
C3 | C1 | PA1 | C6 | 137.7° | 120.0° |
C3 | C1 | PA1 | H1 | 112.0° | 120.0° |
C3 | C1 | C6 | H1 | 118.6° | 120.0° |
C3 | C1 | PA1 | OP3 | 124.3° | 174.9° |
C3 | C1 | PA1 | OP2 | 120.6° | 54.9° |
C3 | C1 | PA1 | OP1 | 2.2° | 65.0° |
C3 | C1 | C6 | C11 | 138.8° | 135.0° |
C3 | C1 | C6 | C7 | 42.3° | 44.7° |
C1 | C3 | H31C | H32C | 118.4° | 120.0° |
C1 | C3 | C2 | H21C | 122.3° | 65.1° |
C1 | C3 | C2 | H22C | 4.0° | 54.8° |
F2 | C30 | F3 | C20 | 118.4° | 120.0° |
F2 | C30 | C20 | C21 | 133.0° | 120.0° |
F2 | C30 | C20 | C19 | 46.1° | 59.6° |
F3 | C30 | C20 | C21 | 106.6° | 120.1° |
F3 | C30 | C20 | C19 | 74.3° | 60.3° |
C30 | C20 | C21 | C19 | 179.1° | 179.6° |
C30 | C20 | C21 | C22 | 179.2° | 179.9° |
C30 | C20 | C19 | C18 | 178.3° | 179.8° |
C30 | C20 | C21 | H21 | 0.8° | 0.1° |
C30 | C20 | C19 | H19 | 1.7° | 0.1° |
C20 | C21 | C22 | H21 | 180.0° | 179.9° |
C20 | C21 | C22 | C23 | 0.2° | 0.0° |
C21 | C20 | C19 | C18 | 0.9° | 0.6° |
C21 | C20 | C19 | H19 | 179.1° | 179.7° |
C20 | C21 | C22 | H22 | 179.8° | 180.0° |
C19 | C20 | C21 | C22 | 0.1° | 0.3° |
C20 | C19 | C18 | C23 | 1.8° | 0.6° |
C20 | C19 | C18 | H19 | 180.0° | 179.7° |
C20 | C19 | C18 | N2 | 179.2° | 179.7° |
C19 | C20 | C21 | H21 | 179.9° | 179.8° |
C21 | C22 | C23 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | C18 | 0.7° | 0.0° |
C21 | C22 | C23 | H23 | 179.3° | 179.9° |
C22 | C23 | C18 | H23 | 180.0° | 179.9° |
C22 | C23 | C18 | C19 | 1.7° | 0.3° |
C22 | C23 | C18 | N2 | 179.0° | 180.0° |
C23 | C22 | C21 | H21 | 179.8° | 179.9° |
C23 | C18 | C19 | N2 | 177.4° | 179.7° |
C23 | C18 | N2 | C13 | 27.5° | 6.2° |
C23 | C18 | C19 | H19 | 178.2° | 179.7° |
C18 | C23 | C22 | H22 | 179.3° | 180.0° |
C23 | C18 | N2 | H2 | 152.5° | 173.7° |
C19 | C18 | N2 | C13 | 155.1° | 173.4° |
C19 | C18 | C23 | H23 | 178.4° | 179.8° |
C19 | C18 | N2 | H2 | 24.9° | 6.6° |
C18 | N2 | C13 | H2 | 180.0° | 180.0° |
C18 | N2 | C13 | C14 | 33.9° | 111.7° |
C18 | N2 | C13 | C12 | 148.7° | 68.0° |
N2 | C18 | C19 | H19 | 0.8° | 0.1° |
N2 | C18 | C23 | H23 | 1.0° | 0.1° |
N2 | C13 | C14 | C12 | 177.4° | 179.7° |
N2 | C13 | C14 | C15 | 179.9° | 180.0° |
N2 | C13 | C12 | C17 | 179.4° | 179.8° |
N2 | C13 | C12 | C4 | 3.3° | 0.0° |
N2 | C13 | C14 | H14 | 0.1° | 0.1° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 1.9° | 0.0° |
C14 | C13 | C12 | C17 | 1.9° | 0.5° |
C14 | C13 | C12 | C4 | 179.2° | 179.7° |
C14 | C13 | N2 | H2 | 146.1° | 68.2° |
C13 | C14 | C15 | H15 | 178.1° | 180.0° |
C12 | C13 | C14 | C15 | 2.5° | 0.3° |
C13 | C12 | C17 | C16 | 0.8° | 0.5° |
C13 | C12 | C17 | C4 | 177.4° | 179.8° |
C13 | C12 | C4 | O1 | 104.8° | 34.6° |
C13 | C12 | C4 | N1 | 77.5° | 145.4° |
C12 | C13 | N2 | H2 | 31.3° | 112.1° |
C12 | C13 | C14 | H14 | 177.5° | 179.8° |
C13 | C12 | C17 | H17 | 179.2° | 179.7° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.7° | 0.0° |
C14 | C15 | C16 | H16 | 179.2° | 180.0° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C12 | 0.2° | 0.2° |
C16 | C15 | C14 | H14 | 178.1° | 179.9° |
C15 | C16 | C17 | H17 | 179.8° | 180.0° |
C16 | C17 | C12 | H17 | 180.0° | 179.8° |
C16 | C17 | C12 | C4 | 178.2° | 179.7° |
C17 | C16 | C15 | H15 | 179.3° | 180.0° |
C17 | C12 | C4 | O1 | 77.9° | 145.2° |
C17 | C12 | C4 | N1 | 99.8° | 34.9° |
C12 | C17 | C16 | H16 | 179.8° | 179.7° |
C12 | C4 | O1 | N1 | 177.7° | 180.0° |
C12 | C4 | N1 | O2 | 179.4° | 4.5° |
C12 | C4 | N1 | C2 | 3.7° | 175.5° |
C4 | C12 | C17 | H17 | 1.9° | 0.1° |
O1 | C4 | N1 | O2 | 1.6° | 175.5° |
O1 | C4 | N1 | C2 | 178.6° | 4.5° |
C4 | N1 | O2 | C2 | 176.7° | 180.0° |
C4 | N1 | C2 | H21C | 109.9° | 45.0° |
C4 | N1 | C2 | H22C | 8.3° | 165.0° |
C4 | N1 | O2 | HA | 0.8° | 180.0° |
O2 | N1 | C2 | H21C | 66.9° | 135.0° |
O2 | N1 | C2 | H22C | 174.8° | 15.0° |
N1 | C2 | C3 | H31C | 122.6° | 65.1° |
N1 | C2 | C3 | H32C | 3.7° | 54.9° |
N1 | C2 | H21C | H22C | 117.2° | 120.0° |
C2 | N1 | O2 | HA | 177.5° | 0.0° |
PA1 | C1 | C6 | H1 | 108.4° | 120.0° |
C1 | PA1 | OP3 | OP2 | 112.7° | 120.0° |
C1 | PA1 | OP3 | OP1 | 127.7° | 120.1° |
C1 | PA1 | OP2 | OP1 | 118.4° | 120.0° |
PA1 | C1 | C6 | C11 | 88.3° | 104.9° |
PA1 | C1 | C6 | C7 | 90.7° | 75.3° |
PA1 | C1 | C3 | H31C | 54.2° | 64.2° |
PA1 | C1 | C3 | H32C | 64.8° | 55.8° |
C1 | PA1 | OP3 | HP3 | 112.7° | 59.9° |
C1 | PA1 | OP1 | HP1 | 112.5° | 55.0° |
C6 | C1 | PA1 | OP3 | 13.4° | 54.9° |
C6 | C1 | PA1 | OP2 | 101.7° | 65.1° |
C6 | C1 | PA1 | OP1 | 139.9° | 175.0° |
C1 | C6 | C11 | C7 | 179.0° | 179.8° |
C1 | C6 | C11 | C10 | 179.1° | 180.0° |
C1 | C6 | C7 | C8 | 178.8° | 179.8° |
C6 | C1 | C3 | H31C | 76.6° | 55.8° |
C6 | C1 | C3 | H32C | 164.5° | 175.8° |
C1 | C6 | C11 | H11 | 0.9° | 0.1° |
C1 | C6 | C7 | H7 | 1.2° | 0.0° |
OP3 | PA1 | OP2 | OP1 | 118.0° | 120.0° |
OP3 | PA1 | C1 | H1 | 123.7° | 65.1° |
OP3 | PA1 | OP1 | HP1 | 116.2° | 175.0° |
OP2 | PA1 | C1 | H1 | 8.7° | 175.0° |
OP2 | PA1 | OP3 | HP3 | 0.0° | 60.0° |
OP2 | PA1 | OP1 | HP1 | 0.0° | 65.0° |
OP1 | PA1 | C1 | H1 | 109.7° | 55.0° |
OP1 | PA1 | OP3 | HP3 | 119.6° | 180.0° |
C6 | C11 | C10 | H11 | 180.0° | 179.9° |
C6 | C11 | C10 | C9 | 0.4° | 0.1° |
C11 | C6 | C7 | C8 | 0.1° | 0.5° |
C11 | C6 | C1 | H1 | 20.1° | 15.0° |
C11 | C6 | C7 | H7 | 179.9° | 179.8° |
C6 | C11 | C10 | H10 | 179.6° | 180.0° |
C7 | C6 | C11 | C10 | 0.1° | 0.2° |
C6 | C7 | C8 | C9 | 0.1° | 0.4° |
C6 | C7 | C8 | CL1 | 179.7° | 179.8° |
C6 | C7 | C8 | H7 | 180.0° | 179.8° |
C7 | C6 | C1 | H1 | 160.9° | 164.7° |
C7 | C6 | C11 | H11 | 179.9° | 179.7° |
C11 | C10 | C9 | H10 | 180.0° | 179.9° |
C11 | C10 | C9 | CL2 | 179.9° | 180.0° |
C11 | C10 | C9 | C8 | 0.4° | 0.1° |
C10 | C9 | CL2 | C8 | 179.8° | 179.9° |
C10 | C9 | C8 | CL1 | 179.9° | 180.0° |
C10 | C9 | C8 | C7 | 0.1° | 0.1° |
C9 | C10 | C11 | H11 | 179.6° | 180.0° |
CL2 | C9 | C8 | CL1 | 0.3° | 0.1° |
CL2 | C9 | C8 | C7 | 179.9° | 179.8° |
CL2 | C9 | C10 | H10 | 0.2° | 0.1° |
C9 | C8 | CL1 | C7 | 179.8° | 179.8° |
C9 | C8 | C7 | H7 | 179.8° | 179.8° |
C8 | C9 | C10 | H10 | 179.6° | 180.0° |
CL1 | C8 | C7 | H7 | 0.4° | 0.0° |
H31C | C3 | C2 | H21C | 1.7° | 54.9° |
H31C | C3 | C2 | H22C | 116.5° | 174.9° |
H31C | C3 | C1 | H1 | 164.6° | 175.8° |
H32C | C3 | C2 | H21C | 117.2° | 174.9° |
H32C | C3 | C2 | H22C | 124.5° | 65.1° |
H32C | C3 | C1 | H1 | 45.7° | 64.2° |
H21 | C21 | C22 | H22 | 0.2° | 0.0° |
H22 | C22 | C23 | H23 | 0.7° | 0.0° |
H14 | C14 | C15 | H15 | 1.9° | 0.1° |
H15 | C15 | C16 | H16 | 0.7° | 0.0° |
H16 | C16 | C17 | H17 | 0.2° | 0.1° |
H11 | C11 | C10 | H10 | 0.4° | 0.1° |