FZ1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
C32 | N33 | sing | 1.32Å | 1.35Å | Aromatic |
C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
N33 | C28 | doub | 1.33Å | 1.36Å | Aromatic |
C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
C28 | C24 | sing | 1.48Å | 1.45Å | |
N25 | C24 | doub | 1.32Å | 1.36Å | Aromatic |
N25 | C26 | sing | 1.34Å | 1.38Å | Aromatic |
C24 | N23 | sing | 1.33Å | 1.38Å | Aromatic |
C37 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
C37 | C36 | sing | 1.36Å | 1.40Å | Aromatic |
C26 | C27 | sing | 1.42Å | 1.51Å | Aromatic |
N23 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
C36 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
C27 | C22 | sing | 1.42Å | 1.49Å | Aromatic |
C27 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
C22 | N9 | sing | 1.38Å | 1.42Å | |
C35 | C34 | sing | 1.37Å | 1.39Å | Aromatic |
N9 | C8 | sing | 1.47Å | 1.46Å | |
N9 | C7 | sing | 1.47Å | 1.47Å | |
C8 | C3 | sing | 1.53Å | 1.52Å | |
C3 | N6 | sing | 1.47Å | 1.46Å | |
C7 | C2 | sing | 1.53Å | 1.52Å | |
C2 | N6 | sing | 1.47Å | 1.46Å | |
N6 | C5 | sing | 1.40Å | 1.40Å | |
C5 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
C1 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
C42 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
C43 | C50 | sing | 1.39Å | 1.40Å | Aromatic |
C50 | O31 | sing | 1.36Å | 1.37Å | |
O31 | C52 | sing | 1.43Å | 1.43Å | |
C52 | H1 | sing | 1.09Å | 1.10Å | |
C52 | H2 | sing | 1.09Å | 1.10Å | |
C52 | H3 | sing | 1.09Å | 1.10Å | |
C43 | H4 | sing | 1.08Å | 1.08Å | |
C4 | H5 | sing | 1.08Å | 1.08Å | |
C1 | H6 | sing | 1.08Å | 1.08Å | |
C42 | H7 | sing | 1.08Å | 1.08Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
C8 | H13 | sing | 1.09Å | 1.10Å | |
C3 | H14 | sing | 1.09Å | 1.10Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
C29 | H16 | sing | 1.08Å | 1.08Å | |
C30 | H17 | sing | 1.08Å | 1.08Å | |
C31 | H18 | sing | 1.08Å | 1.08Å | |
C32 | H19 | sing | 1.08Å | 1.08Å | |
C37 | H20 | sing | 1.08Å | 1.08Å | |
C36 | H21 | sing | 1.08Å | 1.08Å | |
C35 | H22 | sing | 1.08Å | 1.08Å | |
C34 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C31 | C32 | N33 | 124.0° | 120.8° |
C32 | C31 | C30 | 122.4° | 119.4° |
C32 | C31 | H18 | 118.8° | 120.3° |
C31 | C32 | H19 | 118.0° | 119.6° |
C32 | N33 | C28 | 112.4° | 121.7° |
N33 | C32 | H19 | 118.0° | 119.6° |
C31 | C30 | C29 | 114.3° | 118.5° |
C31 | C30 | H17 | 122.9° | 120.8° |
C30 | C31 | H18 | 118.8° | 120.3° |
N33 | C28 | C29 | 127.1° | 120.5° |
N33 | C28 | C24 | 113.8° | 119.7° |
C30 | C29 | C28 | 119.7° | 119.1° |
C30 | C29 | H16 | 120.1° | 120.5° |
C29 | C30 | H17 | 122.9° | 120.7° |
C29 | C28 | C24 | 118.8° | 119.7° |
C28 | C29 | H16 | 120.2° | 120.5° |
C28 | C24 | N25 | 114.5° | 118.6° |
C28 | C24 | N23 | 114.9° | 118.6° |
C24 | N25 | C26 | 111.9° | 120.5° |
N25 | C24 | N23 | 130.3° | 122.7° |
N25 | C26 | C37 | 121.8° | 121.9° |
N25 | C26 | C27 | 122.5° | 118.8° |
C24 | N23 | C22 | 121.9° | 121.5° |
C26 | C37 | C36 | 122.1° | 119.6° |
C37 | C26 | C27 | 115.7° | 119.3° |
C26 | C37 | H20 | 118.9° | 120.2° |
C37 | C36 | C35 | 121.2° | 121.0° |
C36 | C37 | H20 | 118.9° | 120.1° |
C37 | C36 | H21 | 119.4° | 119.5° |
C26 | C27 | C22 | 118.5° | 118.3° |
C26 | C27 | C34 | 120.3° | 119.7° |
N23 | C22 | C27 | 114.8° | 118.2° |
N23 | C22 | N9 | 119.9° | 120.9° |
C36 | C35 | C34 | 120.2° | 120.9° |
C35 | C36 | H21 | 119.4° | 119.5° |
C36 | C35 | H22 | 119.9° | 119.6° |
C22 | C27 | C34 | 121.2° | 122.0° |
C27 | C22 | N9 | 125.3° | 120.9° |
C27 | C34 | C35 | 120.5° | 119.5° |
C27 | C34 | H23 | 119.8° | 120.3° |
C22 | N9 | C8 | 119.2° | 111.0° |
C22 | N9 | C7 | 120.3° | 111.0° |
C34 | C35 | H22 | 119.9° | 119.6° |
C35 | C34 | H23 | 119.8° | 120.2° |
C8 | N9 | C7 | 120.5° | 110.9° |
N9 | C8 | C3 | 107.9° | 109.4° |
N9 | C8 | H12 | 109.8° | 109.5° |
N9 | C8 | H13 | 109.8° | 109.5° |
N9 | C7 | C2 | 108.1° | 109.4° |
N9 | C7 | H10 | 109.8° | 109.5° |
N9 | C7 | H11 | 109.8° | 109.5° |
C8 | C3 | N6 | 102.1° | 109.4° |
C3 | C8 | H12 | 109.9° | 109.5° |
C3 | C8 | H13 | 109.9° | 109.5° |
C8 | C3 | H14 | 111.3° | 109.5° |
C8 | C3 | H15 | 111.3° | 109.5° |
C3 | N6 | C2 | 119.1° | 110.9° |
C3 | N6 | C5 | 120.1° | 111.0° |
N6 | C3 | H14 | 111.3° | 109.5° |
N6 | C3 | H15 | 111.3° | 109.5° |
C7 | C2 | N6 | 103.7° | 109.4° |
C7 | C2 | H8 | 110.9° | 109.5° |
C7 | C2 | H9 | 110.9° | 109.5° |
C2 | C7 | H10 | 109.8° | 109.5° |
C2 | C7 | H11 | 109.8° | 109.5° |
C2 | N6 | C5 | 120.9° | 111.0° |
N6 | C2 | H8 | 110.9° | 109.5° |
N6 | C2 | H9 | 110.9° | 109.5° |
N6 | C5 | C1 | 119.7° | 120.0° |
N6 | C5 | C4 | 119.3° | 120.0° |
C1 | C5 | C4 | 120.9° | 120.0° |
C5 | C1 | C42 | 119.1° | 120.0° |
C5 | C1 | H6 | 120.4° | 120.0° |
C5 | C4 | C43 | 119.0° | 120.0° |
C5 | C4 | H5 | 120.5° | 120.0° |
C1 | C42 | C50 | 120.1° | 120.0° |
C42 | C1 | H6 | 120.5° | 120.0° |
C1 | C42 | H7 | 120.0° | 120.0° |
C4 | C43 | C50 | 120.1° | 120.0° |
C4 | C43 | H4 | 120.0° | 120.0° |
C43 | C4 | H5 | 120.5° | 120.0° |
C42 | C50 | C43 | 120.8° | 120.0° |
C42 | C50 | O31 | 119.8° | 120.0° |
C50 | C42 | H7 | 119.9° | 120.0° |
C43 | C50 | O31 | 119.5° | 120.0° |
C50 | C43 | H4 | 120.0° | 120.0° |
C50 | O31 | C52 | 121.0° | 117.0° |
O31 | C52 | H1 | 109.5° | 109.5° |
O31 | C52 | H2 | 109.5° | 109.5° |
O31 | C52 | H3 | 109.5° | 109.5° |
H1 | C52 | H2 | 109.5° | 109.4° |
H1 | C52 | H3 | 109.5° | 109.5° |
H2 | C52 | H3 | 109.5° | 109.5° |
H8 | C2 | H9 | 109.5° | 109.5° |
H10 | C7 | H11 | 109.5° | 109.5° |
H12 | C8 | H13 | 109.5° | 109.5° |
H14 | C3 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C31 | C32 | N33 | H19 | 180.0° | 179.8° |
C32 | C31 | C30 | H18 | 180.0° | 180.0° |
C31 | C32 | N33 | C28 | 0.8° | 0.5° |
C32 | C31 | C30 | C29 | 1.2° | 0.0° |
C32 | C31 | C30 | H17 | 178.8° | 180.0° |
N33 | C32 | C31 | C30 | 2.6° | 0.2° |
C32 | N33 | C28 | C29 | 2.1° | 0.6° |
C32 | N33 | C28 | C24 | 176.5° | 179.7° |
N33 | C32 | C31 | H18 | 177.4° | 179.8° |
C31 | C30 | C29 | H17 | 180.0° | 180.0° |
C31 | C30 | C29 | C28 | 1.4° | 0.0° |
C31 | C30 | C29 | H16 | 178.5° | 180.0° |
C30 | C31 | C32 | H19 | 177.4° | 180.0° |
N33 | C28 | C29 | C30 | 3.4° | 0.3° |
N33 | C28 | C29 | C24 | 174.1° | 179.7° |
N33 | C28 | C24 | N25 | 5.4° | 179.7° |
N33 | C28 | C24 | N23 | 169.2° | 0.3° |
N33 | C28 | C29 | H16 | 176.6° | 179.8° |
C28 | N33 | C32 | H19 | 179.2° | 179.7° |
C30 | C29 | C28 | H16 | 180.0° | 179.9° |
C30 | C29 | C28 | C24 | 177.5° | 180.0° |
C29 | C30 | C31 | H18 | 178.8° | 180.0° |
C29 | C28 | C24 | N25 | 179.7° | 0.0° |
C29 | C28 | C24 | N23 | 5.7° | 180.0° |
C28 | C29 | C30 | H17 | 178.5° | 179.9° |
C28 | C24 | N25 | N23 | 173.5° | 180.0° |
C28 | C24 | N25 | C26 | 176.1° | 179.9° |
C28 | C24 | N23 | C22 | 176.6° | 180.0° |
C24 | C28 | C29 | H16 | 2.5° | 0.1° |
C24 | N25 | C26 | C37 | 179.3° | 180.0° |
C24 | N25 | C26 | C27 | 1.5° | 0.2° |
N25 | C24 | N23 | C22 | 3.1° | 0.0° |
C26 | N25 | C24 | N23 | 2.6° | 0.0° |
N25 | C26 | C37 | C27 | 178.0° | 179.8° |
N25 | C26 | C37 | C36 | 178.7° | 180.0° |
N25 | C26 | C27 | C22 | 1.0° | 0.4° |
N25 | C26 | C27 | C34 | 178.7° | 180.0° |
N25 | C26 | C37 | H20 | 1.4° | 0.0° |
C24 | N23 | C22 | C27 | 2.0° | 0.2° |
C24 | N23 | C22 | N9 | 176.9° | 180.0° |
C26 | C37 | C36 | H20 | 180.0° | 180.0° |
C26 | C37 | C36 | C35 | 0.0° | 0.0° |
C37 | C26 | C27 | C22 | 179.0° | 179.8° |
C37 | C26 | C27 | C34 | 0.8° | 0.2° |
C26 | C37 | C36 | H21 | 180.0° | 180.0° |
C36 | C37 | C26 | C27 | 0.7° | 0.2° |
C37 | C36 | C35 | H21 | 180.0° | 180.0° |
C37 | C36 | C35 | C34 | 0.7° | 0.3° |
C37 | C36 | C35 | H22 | 179.3° | 180.0° |
C26 | C27 | C22 | N23 | 1.2° | 0.4° |
C26 | C27 | C22 | C34 | 179.8° | 179.5° |
C26 | C27 | C22 | N9 | 177.7° | 179.8° |
C26 | C27 | C34 | C35 | 0.2° | 0.1° |
C27 | C26 | C37 | H20 | 179.3° | 179.8° |
C26 | C27 | C34 | H23 | 179.8° | 179.9° |
N23 | C22 | C27 | N9 | 178.9° | 179.7° |
N23 | C22 | C27 | C34 | 178.6° | 180.0° |
N23 | C22 | N9 | C8 | 19.3° | 36.6° |
N23 | C22 | N9 | C7 | 160.0° | 87.3° |
C36 | C35 | C34 | C27 | 0.6° | 0.3° |
C36 | C35 | C34 | H22 | 180.0° | 179.7° |
C35 | C36 | C37 | H20 | 180.0° | 179.9° |
C36 | C35 | C34 | H23 | 179.4° | 179.7° |
C22 | C27 | C34 | C35 | 179.6° | 179.5° |
C27 | C22 | N9 | C8 | 161.8° | 143.2° |
C27 | C22 | N9 | C7 | 18.9° | 93.0° |
C22 | C27 | C34 | H23 | 0.4° | 0.5° |
C34 | C27 | C22 | N9 | 2.5° | 0.3° |
C27 | C34 | C35 | H23 | 180.0° | 180.0° |
C27 | C34 | C35 | H22 | 179.4° | 180.0° |
C22 | N9 | C8 | C7 | 179.3° | 123.9° |
C22 | N9 | C8 | C3 | 124.0° | 176.8° |
C22 | N9 | C7 | C2 | 126.2° | 176.8° |
C22 | N9 | C7 | H10 | 114.0° | 56.8° |
C22 | N9 | C7 | H11 | 6.5° | 63.2° |
C22 | N9 | C8 | H12 | 4.2° | 56.9° |
C22 | N9 | C8 | H13 | 116.2° | 63.2° |
C34 | C35 | C36 | H21 | 179.3° | 179.7° |
N9 | C8 | C3 | H12 | 119.7° | 120.0° |
N9 | C8 | C3 | H13 | 119.7° | 119.9° |
N9 | C8 | C3 | N6 | 53.5° | 58.4° |
C8 | N9 | C7 | C2 | 53.1° | 59.3° |
C8 | N9 | C7 | H10 | 66.7° | 179.3° |
C8 | N9 | C7 | H11 | 172.9° | 60.7° |
N9 | C8 | H12 | H13 | 120.7° | 120.0° |
N9 | C8 | C3 | H14 | 65.3° | 178.4° |
N9 | C8 | C3 | H15 | 172.3° | 61.6° |
C7 | N9 | C8 | C3 | 55.3° | 59.3° |
N9 | C7 | C2 | H10 | 119.8° | 120.0° |
N9 | C7 | C2 | H11 | 119.8° | 120.0° |
N9 | C7 | C2 | N6 | 50.0° | 58.4° |
N9 | C7 | C2 | H8 | 169.0° | 61.6° |
N9 | C7 | C2 | H9 | 69.1° | 178.3° |
N9 | C7 | H10 | H11 | 120.6° | 120.0° |
C7 | N9 | C8 | H12 | 175.1° | 179.3° |
C7 | N9 | C8 | H13 | 64.4° | 60.7° |
C8 | C3 | N6 | H14 | 118.8° | 120.0° |
C8 | C3 | N6 | H15 | 118.8° | 119.9° |
C8 | C3 | N6 | C2 | 68.7° | 59.3° |
C8 | C3 | N6 | C5 | 110.1° | 176.8° |
C3 | C8 | H12 | H13 | 120.8° | 120.1° |
C8 | C3 | H14 | H15 | 123.4° | 120.0° |
C3 | N6 | C2 | C7 | 67.2° | 59.3° |
C3 | N6 | C2 | C5 | 178.8° | 123.9° |
C3 | N6 | C5 | C1 | 73.9° | 56.2° |
C3 | N6 | C5 | C4 | 105.0° | 123.6° |
C3 | N6 | C2 | H8 | 173.7° | 60.6° |
C3 | N6 | C2 | H9 | 51.9° | 179.3° |
N6 | C3 | C8 | H12 | 173.3° | 178.3° |
N6 | C3 | C8 | H13 | 66.2° | 61.6° |
N6 | C3 | H14 | H15 | 123.4° | 120.0° |
C7 | C2 | N6 | H8 | 119.1° | 120.0° |
C7 | C2 | N6 | H9 | 119.1° | 119.9° |
C7 | C2 | N6 | C5 | 111.6° | 176.8° |
C7 | C2 | H8 | H9 | 122.7° | 120.1° |
C2 | C7 | H10 | H11 | 120.6° | 120.0° |
C2 | N6 | C5 | C1 | 107.4° | 180.0° |
C2 | N6 | C5 | C4 | 73.8° | 0.2° |
N6 | C2 | H8 | H9 | 122.6° | 120.0° |
N6 | C2 | C7 | H10 | 69.8° | 178.4° |
N6 | C2 | C7 | H11 | 169.7° | 61.6° |
C2 | N6 | C3 | H14 | 50.1° | 179.3° |
C2 | N6 | C3 | H15 | 172.5° | 60.7° |
N6 | C5 | C1 | C4 | 178.8° | 179.8° |
N6 | C5 | C1 | C42 | 179.6° | 180.0° |
N6 | C5 | C4 | C43 | 179.7° | 179.7° |
N6 | C5 | C4 | H5 | 0.4° | 0.2° |
N6 | C5 | C1 | H6 | 0.4° | 0.3° |
C5 | N6 | C2 | H8 | 7.5° | 63.2° |
C5 | N6 | C2 | H9 | 129.3° | 56.9° |
C5 | N6 | C3 | H14 | 131.1° | 56.8° |
C5 | N6 | C3 | H15 | 8.7° | 63.2° |
C5 | C1 | C42 | H6 | 180.0° | 179.7° |
C1 | C5 | C4 | C43 | 0.8° | 0.0° |
C5 | C1 | C42 | C50 | 0.2° | 0.6° |
C1 | C5 | C4 | H5 | 179.2° | 179.9° |
C5 | C1 | C42 | H7 | 179.8° | 180.0° |
C4 | C5 | C1 | C42 | 0.8° | 0.3° |
C5 | C4 | C43 | H5 | 180.0° | 179.9° |
C5 | C4 | C43 | C50 | 0.4° | 0.0° |
C5 | C4 | C43 | H4 | 179.6° | 180.0° |
C4 | C5 | C1 | H6 | 179.2° | 180.0° |
C1 | C42 | C50 | H7 | 180.0° | 179.5° |
C1 | C42 | C50 | C43 | 0.2° | 0.6° |
C1 | C42 | C50 | O31 | 179.8° | 179.8° |
C4 | C43 | C50 | C42 | 0.2° | 0.3° |
C4 | C43 | C50 | H4 | 180.0° | 180.0° |
C4 | C43 | C50 | O31 | 179.7° | 180.0° |
C42 | C50 | C43 | O31 | 179.5° | 179.6° |
C42 | C50 | O31 | C52 | 74.6° | 0.3° |
C42 | C50 | C43 | H4 | 179.8° | 179.7° |
C50 | C42 | C1 | H6 | 179.8° | 179.7° |
C43 | C50 | O31 | C52 | 105.8° | 180.0° |
C50 | C43 | C4 | H5 | 179.7° | 179.9° |
C43 | C50 | C42 | H7 | 179.8° | 179.9° |
C50 | O31 | C52 | H1 | 180.0° | 59.9° |
C50 | O31 | C52 | H2 | 60.0° | 60.0° |
C50 | O31 | C52 | H3 | 60.0° | 180.0° |
O31 | C50 | C43 | H4 | 0.3° | 0.1° |
O31 | C50 | C42 | H7 | 0.2° | 0.3° |
O31 | C52 | H1 | H2 | 120.0° | 120.0° |
O31 | C52 | H1 | H3 | 120.0° | 120.0° |
O31 | C52 | H2 | H3 | 120.0° | 120.0° |
H1 | C52 | H2 | H3 | 120.0° | 120.0° |
H4 | C43 | C4 | H5 | 0.3° | 0.1° |
H6 | C1 | C42 | H7 | 0.2° | 0.2° |
H8 | C2 | C7 | H10 | 49.2° | 58.4° |
H8 | C2 | C7 | H11 | 71.2° | 178.5° |
H9 | C2 | C7 | H10 | 171.1° | 61.7° |
H9 | C2 | C7 | H11 | 50.7° | 58.4° |
H12 | C8 | C3 | H14 | 54.4° | 61.6° |
H12 | C8 | C3 | H15 | 68.0° | 58.4° |
H13 | C8 | C3 | H14 | 174.9° | 58.5° |
H13 | C8 | C3 | H15 | 52.6° | 178.5° |
H16 | C29 | C30 | H17 | 1.5° | 0.0° |
H17 | C30 | C31 | H18 | 1.2° | 0.0° |
H18 | C31 | C32 | H19 | 2.6° | 0.0° |
H20 | C37 | C36 | H21 | 0.0° | 0.1° |
H21 | C36 | C35 | H22 | 0.7° | 0.0° |
H22 | C35 | C34 | H23 | 0.6° | 0.0° |