4WW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | S2 | sing | 0.00Å | 1.90Å | |
C2 | C10 | sing | 0.00Å | 1.53Å | |
C1 | S1 | sing | 0.00Å | 1.85Å | |
C1 | C10 | sing | 0.00Å | 1.51Å | |
S1 | FE2 | sing | 0.00Å | 2.39Å | |
S1 | FE1 | sing | 0.00Å | 2.31Å | |
C3 | FE1 | sing | 0.00Å | 1.72Å | |
C3 | O3 | trip | 0.00Å | 1.20Å | |
S2 | FE2 | sing | 0.00Å | 2.25Å | |
S2 | FE1 | sing | 0.00Å | 2.27Å | |
O7 | C7 | trip | 0.00Å | 1.16Å | |
C7 | FE2 | sing | 0.00Å | 1.76Å | |
FE2 | C5 | sing | 0.00Å | 1.93Å | |
FE2 | C6 | sing | 0.00Å | 1.93Å | |
C5 | O5 | doub | 0.00Å | 1.18Å | |
C5 | FE1 | sing | 0.00Å | 1.89Å | |
C6 | N6 | trip | 0.00Å | 1.11Å | |
FE1 | C4 | sing | 0.00Å | 1.85Å | |
C4 | N4 | trip | 0.00Å | 1.21Å | |
C2 | H1 | sing | 0.00Å | 1.10Å | |
C2 | H2 | sing | 0.00Å | 1.10Å | |
C1 | H3 | sing | 0.00Å | 1.10Å | |
C1 | H4 | sing | 0.00Å | 1.10Å | |
C10 | H11 | sing | 0.00Å | 1.10Å | |
C10 | H12 | sing | 0.00Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S2 | C2 | C10 | 113.2° | 90.0° |
C2 | S2 | FE2 | 112.1° | 90.0° |
C2 | S2 | FE1 | 112.8° | 90.0° |
S2 | C2 | H1 | 108.5° | 90.0° |
S2 | C2 | H2 | 108.5° | 90.0° |
C2 | C10 | C1 | 109.8° | 90.0° |
C10 | C2 | H1 | 108.5° | 90.0° |
C10 | C2 | H2 | 108.5° | 90.0° |
C2 | C10 | H11 | 109.4° | 90.0° |
C2 | C10 | H12 | 109.4° | 90.0° |
S1 | C1 | C10 | 123.6° | 90.0° |
C1 | S1 | FE2 | 103.3° | 90.0° |
C1 | S1 | FE1 | 111.3° | 90.0° |
S1 | C1 | H3 | 105.8° | 90.0° |
S1 | C1 | H4 | 105.9° | 90.0° |
C10 | C1 | H3 | 105.9° | 90.0° |
C10 | C1 | H4 | 105.8° | 90.0° |
C1 | C10 | H11 | 109.4° | 90.0° |
C1 | C10 | H12 | 109.4° | 90.0° |
FE2 | S1 | FE1 | 64.5° | 90.0° |
S1 | FE2 | S2 | 86.3° | 90.0° |
S1 | FE2 | C7 | 89.3° | 90.0° |
S1 | FE2 | C5 | 88.3° | 90.0° |
S1 | FE2 | C6 | 172.5° | 90.0° |
S1 | FE1 | C3 | 171.0° | 90.0° |
S1 | FE1 | S2 | 87.7° | 90.0° |
S1 | FE1 | C5 | 91.8° | 90.0° |
S1 | FE1 | C4 | 85.6° | 90.0° |
FE1 | C3 | O3 | 169.6° | 90.0° |
C3 | FE1 | S2 | 89.7° | 90.0° |
C3 | FE1 | C5 | 79.6° | 90.0° |
C3 | FE1 | C4 | 96.2° | 90.0° |
FE2 | S2 | FE1 | 67.7° | 90.0° |
S2 | FE2 | C7 | 174.0° | 90.0° |
S2 | FE2 | C5 | 89.9° | 90.0° |
S2 | FE2 | C6 | 86.7° | 90.0° |
S2 | FE1 | C5 | 90.4° | 90.0° |
S2 | FE1 | C4 | 171.7° | 90.0° |
O7 | C7 | FE2 | 173.5° | 90.0° |
C7 | FE2 | C5 | 94.2° | 90.0° |
C7 | FE2 | C6 | 97.4° | 90.0° |
C5 | FE2 | C6 | 94.3° | 90.0° |
FE2 | C5 | O5 | 118.8° | 90.0° |
FE2 | C5 | FE1 | 82.2° | 90.0° |
FE2 | C6 | N6 | 170.7° | 90.0° |
O5 | C5 | FE1 | 158.8° | 90.0° |
C5 | FE1 | C4 | 84.9° | 90.0° |
FE1 | C4 | N4 | 169.1° | 90.0° |
H1 | C2 | H2 | 109.5° | 90.0° |
H3 | C1 | H4 | 109.5° | 90.0° |
H11 | C10 | H12 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S2 | C2 | C10 | H1 | 120.6° | 90.0° |
S2 | C2 | C10 | H2 | 120.5° | 90.0° |
S2 | C2 | C10 | C1 | 66.7° | 90.0° |
C2 | S2 | FE2 | S1 | 55.2° | 90.0° |
C2 | S2 | FE1 | S1 | 51.9° | 90.0° |
C2 | S2 | FE1 | C3 | 136.8° | 90.0° |
C2 | S2 | FE2 | FE1 | 106.6° | 90.0° |
C2 | S2 | FE2 | C7 | 11.3° | 90.0° |
C2 | S2 | FE2 | C5 | 143.6° | 90.0° |
C2 | S2 | FE2 | C6 | 122.1° | 90.0° |
C2 | S2 | FE1 | C5 | 143.6° | 90.0° |
C2 | S2 | FE1 | C4 | 87.8° | 90.0° |
S2 | C2 | H1 | H2 | 118.3° | 90.0° |
S2 | C2 | C10 | H11 | 53.3° | 90.0° |
S2 | C2 | C10 | H12 | 173.2° | 90.0° |
C2 | C10 | C1 | S1 | 65.1° | 90.0° |
C2 | C10 | C1 | H11 | 120.1° | 90.0° |
C2 | C10 | C1 | H12 | 120.1° | 90.0° |
C10 | C2 | S2 | FE2 | 2.8° | 90.0° |
C10 | C2 | S2 | FE1 | 71.2° | 90.0° |
C10 | C2 | H1 | H2 | 118.3° | 90.0° |
C2 | C10 | C1 | H3 | 56.9° | 90.0° |
C2 | C10 | C1 | H4 | 173.0° | 90.0° |
C2 | C10 | H11 | H12 | 119.9° | 90.0° |
S1 | C1 | C10 | H3 | 121.9° | 90.0° |
S1 | C1 | C10 | H4 | 121.9° | 90.0° |
C1 | S1 | FE2 | FE1 | 107.5° | 90.0° |
C1 | S1 | FE1 | C3 | 117.8° | 90.0° |
C1 | S1 | FE2 | S2 | 55.9° | 90.0° |
C1 | S1 | FE1 | S2 | 44.2° | 90.0° |
C1 | S1 | FE2 | C7 | 119.9° | 90.0° |
C1 | S1 | FE2 | C5 | 145.9° | 90.0° |
C1 | S1 | FE2 | C6 | 34.9° | 90.0° |
C1 | S1 | FE1 | C5 | 134.5° | 90.0° |
C1 | S1 | FE1 | C4 | 140.7° | 90.0° |
S1 | C1 | H3 | H4 | 113.7° | 90.0° |
S1 | C1 | C10 | H11 | 55.0° | 90.0° |
S1 | C1 | C10 | H12 | 174.9° | 90.0° |
C10 | C1 | S1 | FE2 | 8.3° | 90.0° |
C10 | C1 | S1 | FE1 | 59.2° | 90.0° |
C1 | C10 | C2 | H1 | 172.7° | 90.0° |
C1 | C10 | C2 | H2 | 53.8° | 90.0° |
C10 | C1 | H3 | H4 | 113.7° | 90.0° |
C1 | C10 | H11 | H12 | 119.8° | 90.0° |
FE2 | S1 | FE1 | C3 | 22.8° | 90.0° |
S1 | FE2 | S2 | C7 | 43.9° | 90.0° |
S1 | FE2 | S2 | C5 | 88.3° | 90.0° |
S1 | FE2 | S2 | C6 | 177.3° | 90.0° |
FE2 | S1 | FE1 | S2 | 50.9° | 90.0° |
S1 | FE2 | C7 | O7 | 62.3° | 90.0° |
S1 | FE2 | C7 | C5 | 88.3° | 90.0° |
S1 | FE2 | C7 | C6 | 176.8° | 90.0° |
S1 | FE2 | C5 | C6 | 173.0° | 90.0° |
S1 | FE2 | C5 | O5 | 139.4° | 90.0° |
FE2 | S1 | FE1 | C5 | 39.5° | 90.0° |
S1 | FE2 | C6 | N6 | 64.1° | 90.0° |
FE2 | S1 | FE1 | C4 | 124.2° | 90.0° |
FE2 | S1 | C1 | H3 | 130.2° | 90.0° |
FE2 | S1 | C1 | H4 | 113.6° | 90.0° |
S1 | FE1 | C3 | S2 | 73.5° | 90.0° |
S1 | FE1 | C3 | C5 | 17.0° | 90.0° |
S1 | FE1 | C3 | C4 | 100.6° | 90.0° |
S1 | FE1 | C3 | O3 | 152.7° | 90.0° |
S1 | FE1 | S2 | C5 | 91.8° | 90.0° |
S1 | FE1 | S2 | C4 | 36.0° | 90.0° |
FE1 | S1 | FE2 | C7 | 132.6° | 90.0° |
FE1 | S1 | FE2 | C6 | 72.6° | 90.0° |
S1 | FE1 | C5 | O5 | 142.3° | 90.0° |
S1 | FE1 | C5 | C4 | 85.4° | 90.0° |
S1 | FE1 | C4 | N4 | 69.1° | 90.0° |
FE1 | S1 | C1 | H3 | 62.7° | 90.0° |
FE1 | S1 | C1 | H4 | 178.8° | 90.0° |
C3 | FE1 | S2 | FE2 | 117.7° | 90.0° |
C3 | FE1 | S2 | C5 | 79.6° | 90.0° |
C3 | FE1 | S2 | C4 | 135.4° | 90.0° |
C3 | FE1 | C5 | FE2 | 131.6° | 90.0° |
C3 | FE1 | C5 | O5 | 40.4° | 90.0° |
C3 | FE1 | C5 | C4 | 97.2° | 90.0° |
C3 | FE1 | C4 | N4 | 102.1° | 90.0° |
O3 | C3 | FE1 | S2 | 133.8° | 90.0° |
O3 | C3 | FE1 | C5 | 135.7° | 90.0° |
O3 | C3 | FE1 | C4 | 52.0° | 90.0° |
S2 | FE2 | C7 | O7 | 18.5° | 90.0° |
S2 | FE2 | C7 | C5 | 132.1° | 90.0° |
S2 | FE2 | C7 | C6 | 133.0° | 90.0° |
S2 | FE2 | C5 | C6 | 86.7° | 90.0° |
S2 | FE2 | C5 | O5 | 134.3° | 90.0° |
FE2 | S2 | FE1 | C5 | 38.1° | 90.0° |
S2 | FE2 | C6 | N6 | 43.1° | 90.0° |
FE2 | S2 | FE1 | C4 | 17.7° | 90.0° |
FE2 | S2 | C2 | H1 | 117.7° | 90.0° |
FE2 | S2 | C2 | H2 | 123.4° | 90.0° |
FE1 | S2 | FE2 | C7 | 95.2° | 90.0° |
FE1 | S2 | FE2 | C6 | 131.3° | 90.0° |
S2 | FE1 | C5 | O5 | 130.0° | 90.0° |
S2 | FE1 | C5 | C4 | 173.1° | 90.0° |
S2 | FE1 | C4 | N4 | 33.0° | 90.0° |
FE1 | S2 | C2 | H1 | 168.2° | 90.0° |
FE1 | S2 | C2 | H2 | 49.3° | 90.0° |
O7 | C7 | FE2 | C5 | 150.6° | 90.0° |
O7 | C7 | FE2 | C6 | 114.5° | 90.0° |
C7 | FE2 | C5 | C6 | 97.8° | 90.0° |
C7 | FE2 | C5 | O5 | 50.2° | 90.0° |
C7 | FE2 | C5 | FE1 | 133.1° | 90.0° |
C7 | FE2 | C6 | N6 | 141.3° | 90.0° |
FE2 | C5 | O5 | FE1 | 170.9° | 90.0° |
C5 | FE2 | C6 | N6 | 46.5° | 90.0° |
FE2 | C5 | FE1 | C4 | 131.1° | 90.0° |
C6 | FE2 | C5 | O5 | 47.6° | 90.0° |
C6 | FE2 | C5 | FE1 | 129.1° | 90.0° |
O5 | C5 | FE1 | C4 | 56.9° | 90.0° |
C5 | FE1 | C4 | N4 | 23.1° | 90.0° |
H1 | C2 | C10 | H11 | 67.2° | 90.0° |
H1 | C2 | C10 | H12 | 52.7° | 90.0° |
H2 | C2 | C10 | H11 | 173.9° | 90.0° |
H2 | C2 | C10 | H12 | 66.2° | 90.0° |
H3 | C1 | C10 | H11 | 176.9° | 90.0° |
H3 | C1 | C10 | H12 | 63.2° | 90.0° |
H4 | C1 | C10 | H11 | 66.9° | 90.0° |
H4 | C1 | C10 | H12 | 52.9° | 90.0° |