L8J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | P11 | doub | 1.48Å | 1.51Å | |
O17 | C16 | doub | 1.22Å | 1.18Å | |
O12 | P11 | sing | 1.61Å | 1.51Å | |
P11 | O13 | sing | 1.61Å | 1.51Å | |
P11 | C10 | sing | 1.82Å | 1.85Å | |
C16 | C15 | sing | 1.41Å | 1.38Å | |
C16 | N18 | sing | 1.34Å | 1.31Å | |
C15 | C09 | doub | 1.36Å | 1.39Å | |
N18 | C07 | sing | 1.38Å | 1.34Å | |
C09 | C10 | sing | 1.51Å | 1.53Å | |
C09 | C08 | sing | 1.46Å | 1.43Å | |
C07 | C08 | doub | 1.41Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
C08 | C04 | sing | 1.40Å | 1.44Å | Aromatic |
C06 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | BR05 | sing | 1.89Å | 1.93Å | |
C04 | C03 | doub | 1.37Å | 1.36Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
C02 | BR01 | sing | 1.89Å | 1.92Å | |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
N18 | H6 | sing | 0.97Å | 1.00Å | |
O12 | H7 | sing | 0.97Å | 0.95Å | |
O13 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | P11 | O12 | 109.6° | 109.5° |
O14 | P11 | O13 | 110.1° | 109.4° |
O14 | P11 | C10 | 108.8° | 109.4° |
O17 | C16 | C15 | 119.7° | 119.2° |
O17 | C16 | N18 | 120.5° | 119.2° |
O12 | P11 | O13 | 109.7° | 109.5° |
O12 | P11 | C10 | 106.8° | 109.5° |
P11 | O12 | H7 | 109.5° | 114.0° |
O13 | P11 | C10 | 111.7° | 109.5° |
P11 | O13 | H8 | 109.5° | 114.0° |
P11 | C10 | C09 | 116.0° | 109.5° |
P11 | C10 | H3 | 107.8° | 109.5° |
P11 | C10 | H4 | 107.8° | 109.4° |
C15 | C16 | N18 | 119.8° | 121.6° |
C16 | C15 | C09 | 122.4° | 120.2° |
C16 | C15 | H5 | 118.8° | 119.9° |
C16 | N18 | C07 | 120.7° | 121.0° |
C16 | N18 | H6 | 119.7° | 119.5° |
C15 | C09 | C10 | 114.5° | 120.7° |
C15 | C09 | C08 | 116.8° | 118.6° |
C09 | C15 | H5 | 118.8° | 119.9° |
N18 | C07 | C08 | 123.5° | 119.6° |
N18 | C07 | C06 | 115.0° | 121.0° |
C07 | N18 | H6 | 119.7° | 119.5° |
C10 | C09 | C08 | 128.6° | 120.8° |
C09 | C10 | H3 | 107.8° | 109.5° |
C09 | C10 | H4 | 107.8° | 109.4° |
C09 | C08 | C07 | 116.8° | 119.0° |
C09 | C08 | C04 | 129.7° | 121.1° |
C08 | C07 | C06 | 121.6° | 119.4° |
C07 | C08 | C04 | 113.5° | 119.9° |
C07 | C06 | C02 | 120.5° | 119.8° |
C07 | C06 | H2 | 119.7° | 120.1° |
C08 | C04 | BR05 | 115.5° | 120.2° |
C08 | C04 | C03 | 125.9° | 119.7° |
C06 | C02 | C03 | 120.9° | 120.7° |
C06 | C02 | BR01 | 122.6° | 119.6° |
C02 | C06 | H2 | 119.7° | 120.2° |
BR05 | C04 | C03 | 118.6° | 120.1° |
C04 | C03 | C02 | 117.5° | 120.6° |
C04 | C03 | H1 | 121.3° | 119.8° |
C03 | C02 | BR01 | 116.5° | 119.7° |
C02 | C03 | H1 | 121.2° | 119.7° |
H3 | C10 | H4 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | P11 | O12 | O13 | 121.0° | 120.0° |
O14 | P11 | O12 | C10 | 117.8° | 120.0° |
O14 | P11 | O13 | C10 | 121.0° | 119.9° |
O14 | P11 | C10 | C09 | 41.9° | 55.0° |
O14 | P11 | C10 | H3 | 162.8° | 65.1° |
O14 | P11 | C10 | H4 | 79.0° | 175.0° |
O14 | P11 | O12 | H7 | 0.0° | 60.0° |
O14 | P11 | O13 | H8 | 0.0° | 180.0° |
O17 | C16 | C15 | N18 | 179.9° | 179.2° |
O17 | C16 | C15 | C09 | 179.8° | 180.0° |
O17 | C16 | N18 | C07 | 180.0° | 179.2° |
O17 | C16 | C15 | H5 | 0.1° | 0.0° |
O17 | C16 | N18 | H6 | 0.0° | 0.8° |
O12 | P11 | O13 | C10 | 118.3° | 120.1° |
O12 | P11 | C10 | C09 | 160.1° | 175.0° |
O12 | P11 | C10 | H3 | 78.9° | 54.9° |
O12 | P11 | C10 | H4 | 39.2° | 65.0° |
O12 | P11 | O13 | H8 | 120.7° | 60.0° |
O13 | P11 | C10 | C09 | 79.9° | 64.9° |
O13 | P11 | C10 | H3 | 41.0° | 175.0° |
O13 | P11 | C10 | H4 | 159.2° | 55.0° |
O13 | P11 | O12 | H7 | 121.0° | 60.0° |
P11 | C10 | C09 | C15 | 83.3° | 0.0° |
P11 | C10 | C09 | H3 | 121.0° | 120.1° |
P11 | C10 | C09 | H4 | 120.9° | 120.0° |
P11 | C10 | C09 | C08 | 98.2° | 180.0° |
P11 | C10 | H3 | H4 | 117.1° | 119.9° |
C10 | P11 | O12 | H7 | 117.8° | 180.0° |
C10 | P11 | O13 | H8 | 121.0° | 60.0° |
C16 | C15 | C09 | H5 | 180.0° | 180.0° |
C15 | C16 | N18 | C07 | 0.1° | 1.5° |
C16 | C15 | C09 | C10 | 179.1° | 180.0° |
C16 | C15 | C09 | C08 | 0.4° | 0.0° |
C15 | C16 | N18 | H6 | 179.9° | 180.0° |
N18 | C16 | C15 | C09 | 0.3° | 0.7° |
C16 | N18 | C07 | H6 | 180.0° | 178.5° |
C16 | N18 | C07 | C08 | 0.2° | 1.5° |
C16 | N18 | C07 | C06 | 179.9° | 179.2° |
N18 | C16 | C15 | H5 | 179.8° | 179.2° |
C15 | C09 | C10 | C08 | 178.5° | 180.0° |
C15 | C09 | C08 | C07 | 0.5° | 0.0° |
C15 | C09 | C08 | C04 | 179.8° | 179.2° |
C15 | C09 | C10 | H3 | 155.7° | 120.1° |
C15 | C09 | C10 | H4 | 37.7° | 120.0° |
N18 | C07 | C08 | C09 | 0.3° | 0.7° |
N18 | C07 | C08 | C06 | 180.0° | 179.3° |
N18 | C07 | C08 | C04 | 179.9° | 180.0° |
N18 | C07 | C06 | C02 | 179.9° | 179.8° |
N18 | C07 | C06 | H2 | 0.1° | 0.3° |
C10 | C09 | C08 | C07 | 178.9° | 180.0° |
C10 | C09 | C08 | C04 | 1.3° | 0.7° |
C09 | C10 | H3 | H4 | 117.0° | 120.0° |
C10 | C09 | C15 | H5 | 0.9° | 0.0° |
C09 | C08 | C07 | C04 | 179.8° | 179.3° |
C09 | C08 | C07 | C06 | 179.7° | 180.0° |
C09 | C08 | C04 | BR05 | 0.3° | 0.3° |
C09 | C08 | C04 | C03 | 179.8° | 179.7° |
C08 | C09 | C10 | H3 | 22.8° | 60.0° |
C08 | C09 | C10 | H4 | 140.8° | 60.0° |
C08 | C09 | C15 | H5 | 179.6° | 180.0° |
C08 | C07 | C06 | C02 | 0.1° | 0.5° |
C07 | C08 | C04 | BR05 | 180.0° | 179.6° |
C07 | C08 | C04 | C03 | 0.1° | 0.4° |
C08 | C07 | C06 | H2 | 179.9° | 179.6° |
C08 | C07 | N18 | H6 | 179.8° | 180.0° |
C06 | C07 | C08 | C04 | 0.1° | 0.7° |
C07 | C06 | C02 | H2 | 180.0° | 179.9° |
C07 | C06 | C02 | C03 | 0.0° | 0.0° |
C07 | C06 | C02 | BR01 | 179.6° | 179.7° |
C06 | C07 | N18 | H6 | 0.2° | 0.8° |
C08 | C04 | BR05 | C03 | 179.9° | 180.0° |
C08 | C04 | C03 | C02 | 0.2° | 0.1° |
C08 | C04 | C03 | H1 | 179.8° | 180.0° |
C06 | C02 | C03 | C04 | 0.1° | 0.3° |
C06 | C02 | C03 | BR01 | 179.6° | 179.7° |
C06 | C02 | C03 | H1 | 179.8° | 179.8° |
BR05 | C04 | C03 | C02 | 179.9° | 179.9° |
BR05 | C04 | C03 | H1 | 0.1° | 0.0° |
C04 | C03 | C02 | H1 | 180.0° | 179.9° |
C04 | C03 | C02 | BR01 | 179.7° | 180.0° |
C03 | C02 | C06 | H2 | 180.0° | 179.9° |
BR01 | C02 | C03 | H1 | 0.3° | 0.1° |
BR01 | C02 | C06 | H2 | 0.4° | 0.2° |