5ZD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O06 | C05 | doub | 1.22Å | 1.25Å | |
C05 | O07 | sing | 1.35Å | 1.25Å | |
C05 | C04 | sing | 1.47Å | 1.54Å | |
C09 | C08 | sing | 1.51Å | 1.54Å | |
C09 | C10 | sing | 1.53Å | 1.52Å | |
C04 | C08 | doub | 1.35Å | 1.43Å | Aromatic |
C04 | N03 | sing | 1.34Å | 1.36Å | Aromatic |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C11 | C12 | sing | 1.53Å | 1.54Å | |
C08 | S15 | sing | 1.76Å | 1.71Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.53Å | |
N03 | C02 | doub | 1.29Å | 1.33Å | Aromatic |
S15 | C02 | sing | 1.76Å | 1.67Å | Aromatic |
C02 | N01 | sing | 1.38Å | 1.43Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
N01 | H5 | sing | 0.97Å | 1.00Å | |
N01 | H6 | sing | 0.97Å | 1.00Å | |
O07 | H7 | sing | 0.97Å | 0.95Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O06 | C05 | O07 | 117.9° | 120.0° |
O06 | C05 | C04 | 124.6° | 120.0° |
O07 | C05 | C04 | 117.5° | 120.0° |
C05 | O07 | H7 | 109.5° | 117.0° |
C05 | C04 | C08 | 128.3° | 122.5° |
C05 | C04 | N03 | 118.0° | 122.5° |
C08 | C09 | C10 | 102.2° | 109.5° |
C09 | C08 | C04 | 129.0° | 125.9° |
C09 | C08 | S15 | 126.3° | 125.9° |
C08 | C09 | H8 | 111.3° | 109.4° |
C08 | C09 | H9 | 111.2° | 109.5° |
C09 | C10 | C11 | 120.8° | 109.5° |
C09 | C10 | H1 | 106.6° | 109.5° |
C09 | C10 | H2 | 106.6° | 109.5° |
C10 | C09 | H8 | 111.3° | 109.5° |
C10 | C09 | H9 | 111.2° | 109.5° |
C08 | C04 | N03 | 113.7° | 115.0° |
C04 | C08 | S15 | 104.6° | 108.2° |
C04 | N03 | C02 | 116.4° | 116.9° |
C10 | C11 | C12 | 110.6° | 109.5° |
C11 | C10 | H1 | 106.5° | 109.5° |
C11 | C10 | H2 | 106.5° | 109.4° |
C10 | C11 | H10 | 109.1° | 109.4° |
C10 | C11 | H11 | 109.2° | 109.4° |
C11 | C12 | C13 | 115.4° | 109.5° |
C11 | C12 | H3 | 108.0° | 109.5° |
C11 | C12 | H4 | 108.0° | 109.5° |
C12 | C11 | H10 | 109.2° | 109.5° |
C12 | C11 | H11 | 109.2° | 109.5° |
C08 | S15 | C02 | 97.0° | 90.2° |
C12 | C13 | C14 | 110.4° | 109.5° |
C13 | C12 | H3 | 108.0° | 109.5° |
C13 | C12 | H4 | 108.0° | 109.5° |
C12 | C13 | H12 | 109.2° | 109.5° |
C12 | C13 | H13 | 109.3° | 109.5° |
N03 | C02 | S15 | 108.2° | 109.6° |
N03 | C02 | N01 | 126.2° | 125.2° |
S15 | C02 | N01 | 125.5° | 125.2° |
C02 | N01 | H5 | 109.5° | 120.0° |
C02 | N01 | H6 | 109.5° | 120.0° |
C14 | C13 | H12 | 109.2° | 109.5° |
C14 | C13 | H13 | 109.2° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H15 | 109.4° | 109.4° |
C13 | C14 | H16 | 109.5° | 109.5° |
H1 | C10 | H2 | 109.5° | 109.5° |
H3 | C12 | H4 | 109.5° | 109.4° |
H5 | N01 | H6 | 109.4° | 120.0° |
H8 | C09 | H9 | 109.5° | 109.4° |
H10 | C11 | H11 | 109.5° | 109.5° |
H12 | C13 | H13 | 109.5° | 109.5° |
H14 | C14 | H15 | 109.5° | 109.5° |
H14 | C14 | H16 | 109.4° | 109.5° |
H15 | C14 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O06 | C05 | O07 | C04 | 179.5° | 180.0° |
O06 | C05 | C04 | C08 | 14.2° | 0.0° |
O06 | C05 | C04 | N03 | 166.0° | 179.7° |
O06 | C05 | O07 | H7 | 0.0° | 0.0° |
O07 | C05 | C04 | C08 | 166.4° | 180.0° |
O07 | C05 | C04 | N03 | 13.5° | 0.3° |
C05 | C04 | C08 | C09 | 1.7° | 0.2° |
C05 | C04 | C08 | N03 | 179.8° | 179.7° |
C05 | C04 | C08 | S15 | 179.7° | 180.0° |
C05 | C04 | N03 | C02 | 179.9° | 179.8° |
C04 | C05 | O07 | H7 | 179.5° | 180.0° |
C08 | C09 | C10 | H8 | 118.8° | 120.0° |
C08 | C09 | C10 | H9 | 118.8° | 120.1° |
C09 | C08 | C04 | S15 | 178.0° | 179.8° |
C09 | C08 | C04 | N03 | 178.1° | 180.0° |
C08 | C09 | C10 | C11 | 177.8° | 180.0° |
C09 | C08 | S15 | C02 | 178.3° | 179.9° |
C08 | C09 | C10 | H1 | 60.6° | 60.0° |
C08 | C09 | C10 | H2 | 56.2° | 60.1° |
C08 | C09 | H8 | H9 | 123.4° | 120.0° |
C10 | C09 | C08 | C04 | 78.9° | 90.0° |
C09 | C10 | C11 | H1 | 121.6° | 120.0° |
C09 | C10 | C11 | H2 | 121.6° | 120.0° |
C09 | C10 | C11 | C12 | 161.4° | 180.0° |
C10 | C09 | C08 | S15 | 98.6° | 89.8° |
C09 | C10 | H1 | H2 | 114.9° | 120.0° |
C10 | C09 | H8 | H9 | 123.4° | 120.0° |
C09 | C10 | C11 | H10 | 78.5° | 60.0° |
C09 | C10 | C11 | H11 | 41.2° | 60.0° |
C08 | C04 | N03 | C02 | 0.0° | 0.1° |
C04 | C08 | S15 | C02 | 0.3° | 0.2° |
C04 | C08 | C09 | H8 | 162.2° | 30.0° |
C04 | C08 | C09 | H9 | 39.9° | 150.0° |
N03 | C04 | C08 | S15 | 0.2° | 0.2° |
C04 | N03 | C02 | S15 | 0.2° | 0.1° |
C04 | N03 | C02 | N01 | 180.0° | 180.0° |
C10 | C11 | C12 | H10 | 120.1° | 119.9° |
C10 | C11 | C12 | H11 | 120.2° | 120.0° |
C10 | C11 | C12 | C13 | 117.6° | 180.0° |
C11 | C10 | H1 | H2 | 114.8° | 120.0° |
C10 | C11 | C12 | H3 | 121.6° | 60.0° |
C10 | C11 | C12 | H4 | 3.2° | 59.9° |
C11 | C10 | C09 | H8 | 59.0° | 60.0° |
C11 | C10 | C09 | H9 | 63.4° | 60.0° |
C10 | C11 | H10 | H11 | 119.4° | 119.9° |
C11 | C12 | C13 | H3 | 120.9° | 120.0° |
C11 | C12 | C13 | H4 | 120.8° | 120.1° |
C11 | C12 | C13 | C14 | 176.7° | 180.0° |
C12 | C11 | C10 | H1 | 39.7° | 60.0° |
C12 | C11 | C10 | H2 | 77.0° | 60.0° |
C11 | C12 | H3 | H4 | 117.3° | 120.0° |
C12 | C11 | H10 | H11 | 119.5° | 120.1° |
C11 | C12 | C13 | H12 | 56.6° | 60.0° |
C11 | C12 | C13 | H13 | 63.1° | 60.0° |
C08 | S15 | C02 | N03 | 0.3° | 0.2° |
C08 | S15 | C02 | N01 | 179.9° | 180.0° |
S15 | C08 | C09 | H8 | 20.2° | 150.2° |
S15 | C08 | C09 | H9 | 142.6° | 30.3° |
C12 | C13 | C14 | H12 | 120.1° | 120.0° |
C12 | C13 | C14 | H13 | 120.1° | 120.0° |
C13 | C12 | H3 | H4 | 117.3° | 120.0° |
C13 | C12 | C11 | H10 | 2.5° | 60.1° |
C13 | C12 | C11 | H11 | 122.2° | 60.0° |
C12 | C13 | H12 | H13 | 119.6° | 120.0° |
C12 | C13 | C14 | H14 | 180.0° | 60.0° |
C12 | C13 | C14 | H15 | 60.0° | 180.0° |
C12 | C13 | C14 | H16 | 60.0° | 60.0° |
N03 | C02 | S15 | N01 | 179.8° | 179.8° |
N03 | C02 | N01 | H5 | 0.0° | 0.1° |
N03 | C02 | N01 | H6 | 120.0° | 180.0° |
S15 | C02 | N01 | H5 | 179.8° | 179.7° |
S15 | C02 | N01 | H6 | 60.3° | 0.3° |
C02 | N01 | H5 | H6 | 120.0° | 180.0° |
C14 | C13 | C12 | H3 | 62.4° | 60.0° |
C14 | C13 | C12 | H4 | 55.9° | 59.9° |
C14 | C13 | H12 | H13 | 119.6° | 120.0° |
C13 | C14 | H14 | H15 | 120.0° | 120.0° |
C13 | C14 | H14 | H16 | 120.0° | 120.0° |
C13 | C14 | H15 | H16 | 120.0° | 119.9° |
H1 | C10 | C09 | H8 | 179.4° | 60.0° |
H1 | C10 | C09 | H9 | 58.2° | 180.0° |
H1 | C10 | C11 | H10 | 159.9° | 180.0° |
H1 | C10 | C11 | H11 | 80.4° | 60.0° |
H2 | C10 | C09 | H8 | 62.6° | 180.0° |
H2 | C10 | C09 | H9 | 175.0° | 60.0° |
H2 | C10 | C11 | H10 | 43.1° | 60.0° |
H2 | C10 | C11 | H11 | 162.8° | NaN° |
H3 | C12 | C11 | H10 | 118.3° | 180.0° |
H3 | C12 | C11 | H11 | 1.4° | 60.0° |
H3 | C12 | C13 | H12 | 177.5° | 180.0° |
H3 | C12 | C13 | H13 | 57.7° | 60.0° |
H4 | C12 | C11 | H10 | 123.4° | 60.0° |
H4 | C12 | C11 | H11 | 116.9° | 179.9° |
H4 | C12 | C13 | H12 | 64.2° | 60.0° |
H4 | C12 | C13 | H13 | 176.0° | 180.0° |
H12 | C13 | C14 | H14 | 59.9° | 60.0° |
H12 | C13 | C14 | H15 | 179.9° | 60.1° |
H12 | C13 | C14 | H16 | 60.1° | 180.0° |
H13 | C13 | C14 | H14 | 59.9° | 180.0° |
H13 | C13 | C14 | H15 | 60.1° | 59.9° |
H13 | C13 | C14 | H16 | 179.9° | 60.0° |
H14 | C14 | H15 | H16 | 120.0° | 120.0° |