LW8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C10 | doub | 1.33Å | 1.31Å | |
C12 | N13 | sing | 1.39Å | 1.28Å | |
C09 | C10 | sing | 1.51Å | 1.52Å | |
C09 | C04 | sing | 1.53Å | 1.52Å | |
C08 | N05 | sing | 1.47Å | 1.45Å | |
C10 | N11 | sing | 1.39Å | 1.34Å | |
N13 | C14 | sing | 1.35Å | 1.36Å | |
O03 | C02 | doub | 1.21Å | 1.20Å | |
N11 | C14 | sing | 1.35Å | 1.35Å | |
C14 | S15 | doub | 1.71Å | 1.66Å | |
N05 | C04 | sing | 1.47Å | 1.49Å | |
N05 | C06 | sing | 1.47Å | 1.44Å | |
N05 | C07 | sing | 1.47Å | 1.45Å | |
C04 | C02 | sing | 1.51Å | 1.47Å | |
C02 | O01 | sing | 1.34Å | 1.22Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
C04 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C08 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H12 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.08Å | 1.08Å | |
N11 | H15 | sing | 0.97Å | 1.00Å | |
N13 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C12 | N13 | 106.3° | 107.9° |
C12 | C10 | C09 | 117.9° | 126.0° |
C12 | C10 | N11 | 109.6° | 107.9° |
C10 | C12 | H14 | 126.8° | 126.1° |
C12 | N13 | C14 | 112.7° | 108.0° |
N13 | C12 | H14 | 126.9° | 126.0° |
C12 | N13 | H16 | 123.7° | 126.0° |
C10 | C09 | C04 | 116.9° | 109.4° |
C09 | C10 | N11 | 132.5° | 126.1° |
C10 | C09 | H12 | 107.6° | 109.5° |
C10 | C09 | H13 | 107.6° | 109.5° |
C09 | C04 | N05 | 116.7° | 109.4° |
C09 | C04 | C02 | 104.2° | 109.4° |
C09 | C04 | H2 | 107.7° | 109.5° |
C04 | C09 | H12 | 107.6° | 109.5° |
C04 | C09 | H13 | 107.6° | 109.4° |
C08 | N05 | C04 | 115.4° | 109.4° |
C08 | N05 | C06 | 106.0° | 109.5° |
C08 | N05 | C07 | 106.2° | 109.5° |
N05 | C08 | H9 | 109.5° | 109.4° |
N05 | C08 | H10 | 109.5° | 109.5° |
N05 | C08 | H11 | 109.4° | 109.5° |
C10 | N11 | C14 | 108.3° | 108.0° |
C10 | N11 | H15 | 125.9° | 126.0° |
N13 | C14 | N11 | 103.1° | 108.1° |
N13 | C14 | S15 | 131.0° | 125.9° |
C14 | N13 | H16 | 123.6° | 126.0° |
O03 | C02 | C04 | 115.2° | 120.0° |
O03 | C02 | O01 | 124.4° | 120.0° |
N11 | C14 | S15 | 125.9° | 125.9° |
C14 | N11 | H15 | 125.8° | 126.0° |
C04 | N05 | C06 | 111.9° | 109.5° |
C04 | N05 | C07 | 110.7° | 109.5° |
N05 | C04 | C02 | 111.5° | 109.5° |
N05 | C04 | H2 | 108.1° | 109.5° |
C06 | N05 | C07 | 105.9° | 109.5° |
N05 | C06 | H3 | 109.5° | 109.5° |
N05 | C06 | H4 | 109.5° | 109.5° |
N05 | C06 | H5 | 109.5° | 109.5° |
N05 | C07 | H6 | 109.5° | 109.5° |
N05 | C07 | H7 | 109.5° | 109.5° |
N05 | C07 | H8 | 109.5° | 109.5° |
C04 | C02 | O01 | 120.4° | 120.0° |
C02 | C04 | H2 | 108.4° | 109.5° |
C02 | O01 | H1 | 109.5° | 117.0° |
H3 | C06 | H4 | 109.4° | 109.6° |
H3 | C06 | H5 | 109.5° | 109.4° |
H4 | C06 | H5 | 109.4° | 109.4° |
H6 | C07 | H7 | 109.5° | 109.5° |
H6 | C07 | H8 | 109.5° | 109.4° |
H7 | C07 | H8 | 109.4° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.4° |
H9 | C08 | H11 | 109.5° | 109.5° |
H10 | C08 | H11 | 109.5° | 109.5° |
H12 | C09 | H13 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C12 | N13 | H14 | 180.0° | 179.9° |
C12 | C10 | C09 | N11 | 176.9° | 179.7° |
C12 | C10 | C09 | C04 | 114.2° | 126.2° |
C10 | C12 | N13 | C14 | 2.3° | 0.4° |
C12 | C10 | N11 | C14 | 0.5° | 0.2° |
C12 | C10 | C09 | H12 | 6.9° | 6.2° |
C12 | C10 | C09 | H13 | 124.8° | 113.9° |
C12 | C10 | N11 | H15 | 179.5° | 179.8° |
C10 | C12 | N13 | H16 | 177.7° | 179.8° |
N13 | C12 | C10 | C09 | 179.2° | 179.9° |
N13 | C12 | C10 | N11 | 1.7° | 0.4° |
C12 | N13 | C14 | H16 | 180.0° | 179.9° |
C12 | N13 | C14 | N11 | 2.0° | 0.2° |
C12 | N13 | C14 | S15 | 178.0° | 179.8° |
C10 | C09 | C04 | H12 | 121.1° | 120.0° |
C10 | C09 | C04 | H13 | 121.1° | 119.9° |
C09 | C10 | N11 | C14 | 177.5° | 179.9° |
C10 | C09 | C04 | N05 | 126.6° | 68.1° |
C10 | C09 | C04 | C02 | 110.0° | 172.0° |
C10 | C09 | C04 | H2 | 4.9° | 51.9° |
C10 | C09 | H12 | H13 | 116.6° | 120.0° |
C09 | C10 | C12 | H14 | 0.8° | 0.0° |
C09 | C10 | N11 | H15 | 2.5° | 0.1° |
C09 | C04 | N05 | C08 | 54.9° | 171.3° |
C04 | C09 | C10 | N11 | 69.0° | 53.5° |
C09 | C04 | C02 | O03 | 69.4° | 94.1° |
C09 | C04 | N05 | C02 | 119.5° | 119.9° |
C09 | C04 | N05 | H2 | 121.5° | 120.0° |
C09 | C04 | N05 | C06 | 66.5° | 51.2° |
C09 | C04 | N05 | C07 | 175.5° | 68.8° |
C09 | C04 | C02 | H2 | 114.5° | 120.0° |
C09 | C04 | C02 | O01 | 108.7° | 86.1° |
C04 | C09 | H12 | H13 | 116.6° | 120.0° |
C08 | N05 | C04 | C06 | 121.4° | 120.1° |
C08 | N05 | C04 | C07 | 120.6° | 119.9° |
C08 | N05 | C06 | C07 | 112.6° | 120.0° |
C08 | N05 | C04 | C02 | 64.6° | 51.3° |
C08 | N05 | C04 | H2 | 176.4° | 68.7° |
C08 | N05 | C06 | H3 | 180.0° | 173.2° |
C08 | N05 | C06 | H4 | 60.0° | 53.0° |
C08 | N05 | C06 | H5 | 60.0° | 66.9° |
C08 | N05 | C07 | H6 | 180.0° | 76.0° |
C08 | N05 | C07 | H7 | 60.0° | 44.0° |
C08 | N05 | C07 | H8 | 60.0° | 164.0° |
N05 | C08 | H9 | H10 | 120.0° | 119.9° |
N05 | C08 | H9 | H11 | 120.0° | 120.0° |
N05 | C08 | H10 | H11 | 120.0° | 120.1° |
C10 | N11 | C14 | N13 | 0.8° | 0.0° |
C10 | N11 | C14 | H15 | 180.0° | 180.0° |
C10 | N11 | C14 | S15 | 179.1° | 180.0° |
N11 | C10 | C09 | H12 | 169.9° | 173.5° |
N11 | C10 | C09 | H13 | 52.1° | 66.4° |
N11 | C10 | C12 | H14 | 178.3° | 179.7° |
N13 | C14 | N11 | S15 | 180.0° | 180.0° |
C14 | N13 | C12 | H14 | 177.7° | 179.7° |
N13 | C14 | N11 | H15 | 179.2° | 180.0° |
O03 | C02 | C04 | N05 | 57.3° | 25.9° |
O03 | C02 | C04 | O01 | 178.1° | 179.8° |
O03 | C02 | O01 | H1 | 0.0° | 0.1° |
O03 | C02 | C04 | H2 | 176.1° | 145.9° |
N11 | C14 | N13 | H16 | 178.0° | 179.9° |
S15 | C14 | N11 | H15 | 0.9° | 0.0° |
S15 | C14 | N13 | H16 | 2.0° | 0.1° |
C04 | N05 | C06 | C07 | 120.8° | 120.0° |
N05 | C04 | C02 | H2 | 118.9° | 120.1° |
N05 | C04 | C02 | O01 | 124.6° | 154.0° |
C04 | N05 | C06 | H3 | 53.3° | 66.8° |
C04 | N05 | C06 | H4 | 173.3° | 173.0° |
C04 | N05 | C06 | H5 | 66.7° | 53.1° |
C04 | N05 | C07 | H6 | 54.0° | 43.9° |
C04 | N05 | C07 | H7 | 66.0° | 164.0° |
C04 | N05 | C07 | H8 | 174.0° | 76.0° |
C04 | N05 | C08 | H9 | 180.0° | 74.6° |
C04 | N05 | C08 | H10 | 60.0° | 165.5° |
C04 | N05 | C08 | H11 | 60.0° | 45.4° |
N05 | C04 | C09 | H12 | 112.3° | 52.0° |
N05 | C04 | C09 | H13 | 5.5° | 172.0° |
C06 | N05 | C04 | C02 | 174.0° | 68.7° |
C06 | N05 | C04 | H2 | 55.0° | 171.2° |
N05 | C06 | H3 | H4 | 120.0° | 120.1° |
N05 | C06 | H3 | H5 | 120.0° | 120.0° |
N05 | C06 | H4 | H5 | 120.0° | 120.0° |
C06 | N05 | C07 | H6 | 67.5° | 164.0° |
C06 | N05 | C07 | H7 | 172.4° | 76.0° |
C06 | N05 | C07 | H8 | 52.5° | 44.0° |
C06 | N05 | C08 | H9 | 55.5° | 45.4° |
C06 | N05 | C08 | H10 | 175.5° | 74.4° |
C06 | N05 | C08 | H11 | 64.5° | 165.5° |
C07 | N05 | C04 | C02 | 56.0° | 171.3° |
C07 | N05 | C04 | H2 | 63.0° | 51.2° |
C07 | N05 | C06 | H3 | 67.4° | 53.2° |
C07 | N05 | C06 | H4 | 52.5° | 67.0° |
C07 | N05 | C06 | H5 | 172.5° | 173.1° |
N05 | C07 | H6 | H7 | 120.0° | 120.0° |
N05 | C07 | H6 | H8 | 120.0° | 120.0° |
N05 | C07 | H7 | H8 | 120.0° | 120.0° |
C07 | N05 | C08 | H9 | 56.9° | 165.4° |
C07 | N05 | C08 | H10 | 63.1° | 45.6° |
C07 | N05 | C08 | H11 | 176.9° | 74.5° |
C04 | C02 | O01 | H1 | 177.9° | 180.0° |
C02 | C04 | C09 | H12 | 11.1° | 68.0° |
C02 | C04 | C09 | H13 | 128.9° | 52.0° |
O01 | C02 | C04 | H2 | 5.8° | 33.9° |
H2 | C04 | C09 | H12 | 126.0° | 172.0° |
H2 | C04 | C09 | H13 | 116.2° | 68.0° |
H3 | C06 | H4 | H5 | 120.0° | 120.0° |
H6 | C07 | H7 | H8 | 120.0° | 120.0° |
H9 | C08 | H10 | H11 | 120.0° | 120.0° |
H14 | C12 | N13 | H16 | 2.3° | 0.2° |