GXM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | N11 | sing | 1.22Å | 1.33Å | |
O13 | N11 | doub | 1.22Å | 1.17Å | |
N11 | C10 | sing | 1.48Å | 1.45Å | |
O01 | C02 | doub | 1.22Å | 1.23Å | |
C10 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | C09 | sing | 1.40Å | 1.43Å | Aromatic |
O08 | C04 | sing | 1.35Å | 1.37Å | |
C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
C02 | C09 | sing | 1.48Å | 1.53Å | |
C02 | C03 | sing | 1.47Å | 1.45Å | |
C09 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
O06 | C05 | doub | 1.21Å | 1.35Å | |
C04 | C03 | doub | 1.35Å | 1.36Å | |
C04 | C05 | sing | 1.48Å | 1.49Å | |
C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C05 | O07 | sing | 1.35Å | 1.23Å | |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C16 | H5 | sing | 1.08Å | 1.08Å | |
O07 | H6 | sing | 0.97Å | 0.95Å | |
O08 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | N11 | O13 | 111.9° | 120.0° |
O12 | N11 | C10 | 121.3° | 120.0° |
O13 | N11 | C10 | 126.7° | 120.0° |
N11 | C10 | C14 | 117.7° | 120.1° |
N11 | C10 | C09 | 119.9° | 120.1° |
O01 | C02 | C09 | 117.8° | 120.0° |
O01 | C02 | C03 | 117.0° | 120.0° |
C14 | C10 | C09 | 122.4° | 119.8° |
C10 | C14 | C15 | 119.6° | 120.2° |
C10 | C14 | H4 | 120.2° | 119.9° |
C10 | C09 | C02 | 126.7° | 120.1° |
C10 | C09 | C17 | 115.2° | 119.7° |
O08 | C04 | C03 | 128.1° | 120.0° |
O08 | C04 | C05 | 111.7° | 120.0° |
C04 | O08 | H7 | 109.5° | 114.0° |
C14 | C15 | C16 | 119.3° | 120.3° |
C14 | C15 | H1 | 120.4° | 119.8° |
C15 | C14 | H4 | 120.2° | 119.9° |
C09 | C02 | C03 | 120.3° | 120.0° |
C02 | C09 | C17 | 118.1° | 120.2° |
C02 | C03 | C04 | 122.1° | 120.0° |
C02 | C03 | H3 | 118.9° | 120.0° |
C09 | C17 | C16 | 122.1° | 119.9° |
C09 | C17 | H2 | 118.9° | 120.1° |
C15 | C16 | C17 | 121.5° | 120.1° |
C16 | C15 | H1 | 120.4° | 119.8° |
C15 | C16 | H5 | 119.3° | 120.0° |
O06 | C05 | C04 | 110.4° | 120.0° |
O06 | C05 | O07 | 118.8° | 120.1° |
C03 | C04 | C05 | 118.3° | 120.0° |
C04 | C03 | H3 | 118.9° | 120.0° |
C04 | C05 | O07 | 123.7° | 120.0° |
C16 | C17 | H2 | 119.0° | 120.1° |
C17 | C16 | H5 | 119.2° | 119.9° |
C05 | O07 | H6 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | N11 | O13 | C10 | 175.3° | 179.9° |
O12 | N11 | C10 | C14 | 9.3° | 5.8° |
O12 | N11 | C10 | C09 | 169.8° | 173.8° |
O13 | N11 | C10 | C14 | 165.6° | 174.1° |
O13 | N11 | C10 | C09 | 15.3° | 6.2° |
N11 | C10 | C14 | C09 | 179.1° | 179.7° |
N11 | C10 | C14 | C15 | 179.4° | 179.7° |
N11 | C10 | C09 | C02 | 1.1° | 0.4° |
N11 | C10 | C09 | C17 | 178.9° | 179.7° |
N11 | C10 | C14 | H4 | 0.6° | 0.3° |
O01 | C02 | C09 | C10 | 39.5° | 103.8° |
O01 | C02 | C09 | C03 | 154.3° | 180.0° |
O01 | C02 | C09 | C17 | 138.3° | 76.1° |
O01 | C02 | C03 | C04 | 22.1° | 0.0° |
O01 | C02 | C03 | H3 | 157.9° | 180.0° |
C10 | C14 | C15 | H4 | 180.0° | 180.0° |
C14 | C10 | C09 | C02 | 177.9° | 180.0° |
C14 | C10 | C09 | C17 | 0.1° | 0.1° |
C10 | C14 | C15 | C16 | 0.6° | 0.0° |
C10 | C14 | C15 | H1 | 179.3° | 180.0° |
C09 | C10 | C14 | C15 | 0.3° | 0.0° |
C10 | C09 | C02 | C17 | 177.7° | 179.9° |
C10 | C09 | C02 | C03 | 166.3° | 76.2° |
C10 | C09 | C17 | C16 | 0.3° | 0.1° |
C10 | C09 | C17 | H2 | 179.7° | 180.0° |
C09 | C10 | C14 | H4 | 179.7° | 180.0° |
O08 | C04 | C03 | C02 | 2.6° | 0.0° |
O08 | C04 | C05 | O06 | 53.3° | 180.0° |
O08 | C04 | C03 | C05 | 162.7° | 179.9° |
O08 | C04 | C05 | O07 | 156.7° | 0.1° |
O08 | C04 | C03 | H3 | 177.5° | 180.0° |
C14 | C15 | C16 | H1 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.5° | 0.0° |
C14 | C15 | C16 | H5 | 179.5° | 179.9° |
C09 | C02 | C03 | C04 | 176.6° | 180.0° |
C02 | C09 | C17 | C16 | 178.2° | 180.0° |
C02 | C09 | C17 | H2 | 1.7° | 0.0° |
C09 | C02 | C03 | H3 | 3.4° | 0.0° |
C03 | C02 | C09 | C17 | 16.0° | 103.9° |
C02 | C03 | C04 | H3 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 165.3° | 180.0° |
C09 | C17 | C16 | C15 | 0.1° | 0.0° |
C09 | C17 | C16 | H2 | 180.0° | 180.0° |
C09 | C17 | C16 | H5 | 180.0° | 180.0° |
C15 | C16 | C17 | H5 | 180.0° | 179.9° |
C15 | C16 | C17 | H2 | 180.0° | 180.0° |
C16 | C15 | C14 | H4 | 179.4° | 180.0° |
O06 | C05 | C04 | C03 | 112.1° | 0.1° |
O06 | C05 | C04 | O07 | 150.0° | 179.9° |
O06 | C05 | O07 | H6 | 0.0° | 0.1° |
C03 | C04 | C05 | O07 | 37.9° | 180.0° |
C03 | C04 | O08 | H7 | 6.8° | 180.0° |
C05 | C04 | C03 | H3 | 14.7° | 0.1° |
C04 | C05 | O07 | H6 | 147.7° | 180.0° |
C05 | C04 | O08 | H7 | 156.9° | 0.0° |
C17 | C16 | C15 | H1 | 179.5° | 180.0° |
H1 | C15 | C14 | H4 | 0.7° | 0.0° |
H1 | C15 | C16 | H5 | 0.5° | 0.0° |
H2 | C17 | C16 | H5 | 0.0° | 0.1° |