5ZL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O05 | C21 | sing | 1.43Å | 1.44Å | |
O06 | C22 | sing | 1.43Å | 1.47Å | |
C21 | C22 | sing | 1.54Å | 1.45Å | |
C21 | C23 | sing | 1.54Å | 1.47Å | |
O08 | C26 | sing | 1.35Å | 1.38Å | |
C22 | C24 | sing | 1.55Å | 1.46Å | |
C24 | O04 | sing | 1.44Å | 1.51Å | |
C24 | N19 | sing | 1.47Å | 1.41Å | |
C23 | O04 | sing | 1.44Å | 1.50Å | |
C23 | C25 | sing | 1.53Å | 1.48Å | |
C26 | N19 | sing | 1.32Å | 1.40Å | Aromatic |
C26 | N20 | doub | 1.32Å | 1.41Å | Aromatic |
N19 | C27 | doub | 1.33Å | 1.45Å | Aromatic |
N20 | C29 | sing | 1.33Å | 1.43Å | Aromatic |
C25 | O07 | sing | 1.43Å | 1.40Å | |
O07 | P01 | sing | 1.61Å | 1.63Å | |
C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
C29 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
C29 | O12 | sing | 1.36Å | 1.38Å | |
O14 | P02 | doub | 1.48Å | 1.44Å | |
O09 | P01 | sing | 1.61Å | 1.66Å | |
O09 | P02 | sing | 1.61Å | 1.67Å | |
P01 | O10 | doub | 1.48Å | 1.44Å | |
P01 | O11 | sing | 1.61Å | 1.43Å | |
O12 | P30 | sing | 1.61Å | 1.63Å | |
P02 | O13 | sing | 1.61Å | 1.60Å | |
P02 | O15 | sing | 1.61Å | 1.43Å | |
O32 | P30 | doub | 1.48Å | 1.44Å | |
O13 | P03 | sing | 1.61Å | 1.64Å | |
P30 | O33 | sing | 1.61Å | 1.45Å | |
P30 | O31 | sing | 1.61Å | 1.43Å | |
P03 | O16 | doub | 1.48Å | 1.43Å | |
P03 | O18 | sing | 1.61Å | 1.41Å | |
P03 | O17 | sing | 1.61Å | 1.44Å | |
C21 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C24 | H3 | sing | 1.09Å | 1.10Å | |
C28 | H4 | sing | 1.08Å | 1.08Å | |
C23 | H5 | sing | 1.09Å | 1.10Å | |
C25 | H6 | sing | 1.09Å | 1.10Å | |
C25 | H7 | sing | 1.09Å | 1.10Å | |
C27 | H8 | sing | 1.08Å | 1.08Å | |
O05 | H9 | sing | 0.97Å | 0.95Å | |
O06 | H10 | sing | 0.97Å | 0.95Å | |
O11 | H11 | sing | 0.97Å | 0.95Å | |
O15 | H12 | sing | 0.97Å | 0.95Å | |
O17 | H13 | sing | 0.97Å | 0.95Å | |
O18 | H14 | sing | 0.97Å | 0.95Å | |
O31 | H15 | sing | 0.97Å | 0.95Å | |
O33 | H16 | sing | 0.97Å | 0.95Å | |
O08 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O05 | C21 | C22 | 109.2° | 110.5° |
O05 | C21 | C23 | 106.9° | 110.5° |
O05 | C21 | H1 | 111.7° | 110.5° |
C21 | O05 | H9 | 109.5° | 114.0° |
O06 | C22 | C21 | 112.0° | 110.5° |
O06 | C22 | C24 | 111.0° | 110.5° |
O06 | C22 | H2 | 109.4° | 110.6° |
C22 | O06 | H10 | 109.5° | 114.0° |
C22 | C21 | C23 | 106.1° | 104.1° |
C21 | C22 | C24 | 105.3° | 104.1° |
C22 | C21 | H1 | 111.6° | 110.5° |
C21 | C22 | H2 | 109.6° | 110.5° |
C21 | C23 | O04 | 107.3° | 104.8° |
C21 | C23 | C25 | 110.5° | 110.3° |
C23 | C21 | H1 | 111.2° | 110.6° |
C21 | C23 | H5 | 110.0° | 110.4° |
O08 | C26 | N19 | 119.2° | 119.1° |
O08 | C26 | N20 | 119.6° | 119.2° |
C26 | O08 | H17 | 109.5° | 114.0° |
C22 | C24 | O04 | 105.9° | 104.8° |
C22 | C24 | N19 | 111.3° | 110.4° |
C24 | C22 | H2 | 109.5° | 110.5° |
C22 | C24 | H3 | 109.5° | 110.3° |
O04 | C24 | N19 | 111.1° | 110.4° |
C24 | O04 | C23 | 104.5° | 105.3° |
O04 | C24 | H3 | 108.7° | 110.4° |
C24 | N19 | C26 | 117.5° | 119.6° |
C24 | N19 | C27 | 123.0° | 119.5° |
N19 | C24 | H3 | 110.2° | 110.4° |
O04 | C23 | C25 | 109.3° | 110.4° |
O04 | C23 | H5 | 109.7° | 110.4° |
C23 | C25 | O07 | 107.4° | 109.5° |
C25 | C23 | H5 | 109.9° | 110.4° |
C23 | C25 | H6 | 110.0° | 109.5° |
C23 | C25 | H7 | 110.0° | 109.5° |
N19 | C26 | N20 | 121.1° | 121.7° |
C26 | N19 | C27 | 119.5° | 120.9° |
C26 | N20 | C29 | 119.6° | 120.7° |
N19 | C27 | C28 | 119.4° | 119.2° |
N19 | C27 | H8 | 120.3° | 120.4° |
N20 | C29 | C28 | 120.5° | 119.1° |
N20 | C29 | O12 | 115.9° | 120.5° |
C25 | O07 | P01 | 118.5° | 123.0° |
O07 | C25 | H6 | 110.0° | 109.5° |
O07 | C25 | H7 | 110.0° | 109.5° |
O07 | P01 | O09 | 109.1° | 109.4° |
O07 | P01 | O10 | 113.8° | 109.4° |
O07 | P01 | O11 | 110.5° | 109.5° |
C27 | C28 | C29 | 119.8° | 118.5° |
C27 | C28 | H4 | 120.1° | 120.8° |
C28 | C27 | H8 | 120.3° | 120.4° |
C28 | C29 | O12 | 123.6° | 120.5° |
C29 | C28 | H4 | 120.1° | 120.8° |
C29 | O12 | P30 | 124.2° | 114.0° |
O14 | P02 | O09 | 111.5° | 109.5° |
O14 | P02 | O13 | 112.8° | 109.5° |
O14 | P02 | O15 | 100.6° | 109.5° |
P01 | O09 | P02 | 124.8° | 134.0° |
O09 | P01 | O10 | 110.2° | 109.5° |
O09 | P01 | O11 | 111.8° | 109.5° |
O09 | P02 | O13 | 112.1° | 109.5° |
O09 | P02 | O15 | 108.5° | 109.5° |
O10 | P01 | O11 | 101.3° | 109.5° |
P01 | O11 | H11 | 109.5° | 114.0° |
O12 | P30 | O32 | 114.6° | 109.5° |
O12 | P30 | O33 | 113.0° | 109.5° |
O12 | P30 | O31 | 113.7° | 109.5° |
O13 | P02 | O15 | 110.7° | 109.5° |
P02 | O13 | P03 | 124.0° | 134.0° |
P02 | O15 | H12 | 109.5° | 114.0° |
O32 | P30 | O33 | 104.6° | 109.5° |
O32 | P30 | O31 | 105.7° | 109.5° |
O13 | P03 | O16 | 112.7° | 109.4° |
O13 | P03 | O18 | 115.3° | 109.4° |
O13 | P03 | O17 | 116.0° | 109.5° |
O33 | P30 | O31 | 104.3° | 109.5° |
P30 | O33 | H16 | 109.5° | 114.0° |
P30 | O31 | H15 | 109.5° | 114.0° |
O16 | P03 | O18 | 102.8° | 109.5° |
O16 | P03 | O17 | 105.4° | 109.5° |
O18 | P03 | O17 | 103.3° | 109.5° |
P03 | O18 | H14 | 109.5° | 114.0° |
P03 | O17 | H13 | 109.5° | 114.0° |
H6 | C25 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O05 | C21 | C22 | O06 | 38.3° | 0.0° |
O05 | C21 | C22 | C23 | 114.9° | 118.6° |
O05 | C21 | C22 | H1 | 123.9° | 122.6° |
O05 | C21 | C23 | H1 | 122.1° | 122.7° |
O05 | C21 | C22 | C24 | 82.4° | 118.7° |
O05 | C21 | C23 | O04 | 96.4° | 142.6° |
O05 | C21 | C23 | C25 | 144.5° | 98.6° |
O05 | C21 | C22 | H2 | 159.9° | 122.7° |
O05 | C21 | C23 | H5 | 22.9° | 23.7° |
O06 | C22 | C21 | C24 | 120.7° | 118.7° |
O06 | C22 | C21 | H2 | 121.6° | 122.8° |
O06 | C22 | C21 | C23 | 153.1° | 118.6° |
O06 | C22 | C24 | H2 | 120.8° | 122.7° |
O06 | C22 | C24 | O04 | 153.5° | 142.6° |
O06 | C22 | C24 | N19 | 85.6° | 98.5° |
O06 | C22 | C21 | H1 | 85.6° | 122.7° |
O06 | C22 | C24 | H3 | 36.4° | 23.8° |
C22 | C21 | C23 | H1 | 121.5° | 118.7° |
C21 | C22 | C24 | H2 | 117.8° | 118.6° |
C21 | C22 | C24 | O04 | 32.2° | 24.0° |
C21 | C22 | C24 | N19 | 153.0° | 142.8° |
C22 | C21 | C23 | O04 | 20.0° | 24.0° |
C22 | C21 | C23 | C25 | 99.0° | 142.8° |
C21 | C22 | C24 | H3 | 85.0° | 94.9° |
C22 | C21 | C23 | H5 | 139.3° | 94.9° |
C22 | C21 | O05 | H9 | 180.0° | 61.4° |
C21 | C22 | O06 | H10 | 180.0° | 61.5° |
C23 | C21 | C22 | C24 | 32.4° | 0.0° |
C21 | C23 | O04 | C24 | 0.3° | 40.5° |
C21 | C23 | O04 | C25 | 119.8° | 118.8° |
C21 | C23 | O04 | H5 | 119.5° | 118.8° |
C21 | C23 | C25 | H5 | 121.7° | 122.3° |
C21 | C23 | C25 | O07 | 70.3° | 175.0° |
C23 | C21 | C22 | H2 | 85.3° | 118.6° |
C21 | C23 | C25 | H6 | 170.1° | 55.0° |
C21 | C23 | C25 | H7 | 49.4° | 65.0° |
C23 | C21 | O05 | H9 | 65.6° | 176.1° |
O08 | C26 | N19 | C24 | 0.4° | 0.4° |
O08 | C26 | N19 | N20 | 179.9° | 179.6° |
O08 | C26 | N19 | C27 | 179.8° | 179.7° |
O08 | C26 | N20 | C29 | 179.8° | 179.7° |
C22 | C24 | O04 | N19 | 121.0° | 118.8° |
C22 | C24 | O04 | H3 | 117.6° | 118.8° |
C22 | C24 | N19 | H3 | 121.6° | 122.2° |
C22 | C24 | O04 | C23 | 19.4° | 40.5° |
C22 | C24 | N19 | C26 | 118.3° | 85.0° |
C22 | C24 | N19 | C27 | 61.0° | 95.1° |
C24 | C22 | C21 | H1 | 153.6° | 118.7° |
C24 | C22 | O06 | H10 | 62.7° | 176.2° |
O04 | C24 | N19 | H3 | 120.6° | 122.4° |
C24 | O04 | C23 | C25 | 119.5° | 159.3° |
O04 | C24 | N19 | C26 | 123.9° | 159.6° |
O04 | C24 | N19 | C27 | 56.8° | 20.3° |
O04 | C24 | C22 | H2 | 85.6° | 94.7° |
C24 | O04 | C23 | H5 | 119.8° | 78.3° |
N19 | C24 | O04 | C23 | 140.4° | 159.3° |
C24 | N19 | C26 | C27 | 179.4° | 179.9° |
C24 | N19 | C26 | N20 | 179.5° | 180.0° |
C24 | N19 | C27 | C28 | 179.7° | 180.0° |
N19 | C24 | C22 | H2 | 35.2° | 24.2° |
C24 | N19 | C27 | H8 | 0.3° | 0.0° |
O04 | C23 | C25 | H5 | 120.5° | 122.4° |
O04 | C23 | C25 | O07 | 47.6° | 69.7° |
O04 | C23 | C21 | H1 | 141.5° | 94.7° |
C23 | O04 | C24 | H3 | 98.3° | 78.3° |
O04 | C23 | C25 | H6 | 72.1° | 170.4° |
O04 | C23 | C25 | H7 | 167.2° | 50.3° |
C23 | C25 | O07 | H6 | 119.7° | 120.0° |
C23 | C25 | O07 | H7 | 119.7° | 120.0° |
C23 | C25 | O07 | P01 | 161.0° | 180.0° |
C25 | C23 | C21 | H1 | 22.5° | 24.1° |
C23 | C25 | H6 | H7 | 121.0° | 120.0° |
N19 | C26 | N20 | C29 | 0.3° | 0.1° |
C26 | N19 | C27 | C28 | 0.3° | 0.1° |
C26 | N19 | C24 | H3 | 3.3° | 37.2° |
C26 | N19 | C27 | H8 | 179.7° | 180.0° |
N19 | C26 | O08 | H17 | 179.9° | 90.0° |
N20 | C26 | N19 | C27 | 0.1° | 0.1° |
C26 | N20 | C29 | C28 | 0.5° | 0.0° |
C26 | N20 | C29 | O12 | 179.4° | 180.0° |
N20 | C26 | O08 | H17 | 0.0° | 90.3° |
N19 | C27 | C28 | H8 | 180.0° | 180.0° |
N19 | C27 | C28 | C29 | 0.2° | 0.0° |
C27 | N19 | C24 | H3 | 177.3° | 142.7° |
N19 | C27 | C28 | H4 | 179.9° | 180.0° |
N20 | C29 | C28 | C27 | 0.3° | 0.0° |
N20 | C29 | C28 | O12 | 179.9° | 180.0° |
N20 | C29 | O12 | P30 | 155.9° | 90.0° |
N20 | C29 | C28 | H4 | 179.7° | 180.0° |
C25 | O07 | P01 | O09 | 22.0° | 175.0° |
C25 | O07 | P01 | O10 | 145.5° | 55.0° |
C25 | O07 | P01 | O11 | 101.3° | 65.0° |
O07 | C25 | C23 | H5 | 168.0° | 52.7° |
O07 | C25 | H6 | H7 | 120.9° | 120.0° |
O07 | P01 | O09 | O10 | 125.6° | 119.9° |
O07 | P01 | O09 | O11 | 122.5° | 120.0° |
O07 | P01 | O09 | P02 | 111.4° | 165.0° |
O07 | P01 | O10 | O11 | 118.6° | 120.0° |
P01 | O07 | C25 | H6 | 79.3° | 60.0° |
P01 | O07 | C25 | H7 | 41.3° | 60.0° |
O07 | P01 | O11 | H11 | 121.0° | 60.0° |
C27 | C28 | C29 | H4 | 180.0° | 180.0° |
C27 | C28 | C29 | O12 | 179.6° | 180.0° |
C28 | C29 | O12 | P30 | 24.2° | 90.0° |
C29 | C28 | C27 | H8 | 179.9° | 180.0° |
C29 | O12 | P30 | O32 | 47.9° | 55.0° |
C29 | O12 | P30 | O33 | 167.6° | 65.0° |
C29 | O12 | P30 | O31 | 73.7° | 175.0° |
O12 | C29 | C28 | H4 | 0.4° | 0.0° |
O14 | P02 | O09 | P01 | 132.9° | 44.9° |
O14 | P02 | O09 | O13 | 127.5° | 120.0° |
O14 | P02 | O09 | O15 | 109.9° | 120.0° |
O14 | P02 | O13 | O15 | 111.9° | 120.0° |
O14 | P02 | O13 | P03 | 152.4° | 40.0° |
O14 | P02 | O15 | H12 | 0.0° | 179.9° |
O09 | P01 | O10 | O11 | 118.5° | 120.1° |
P01 | O09 | P02 | O13 | 99.6° | 164.9° |
P01 | O09 | P02 | O15 | 23.0° | 75.1° |
O09 | P01 | O11 | H11 | 117.3° | 59.9° |
P02 | O09 | P01 | O10 | 123.0° | 45.1° |
P02 | O09 | P01 | O11 | 11.2° | 75.0° |
O09 | P02 | O13 | O15 | 121.3° | 120.0° |
O09 | P02 | O13 | P03 | 80.7° | 160.0° |
O09 | P02 | O15 | H12 | 117.1° | 59.9° |
O10 | P01 | O11 | H11 | 0.0° | 180.0° |
O12 | P30 | O32 | O33 | 124.3° | 120.0° |
O12 | P30 | O32 | O31 | 125.9° | 120.0° |
O12 | P30 | O33 | O31 | 124.0° | 120.0° |
O12 | P30 | O31 | H15 | 126.5° | 180.0° |
O12 | P30 | O33 | H16 | 125.2° | 60.0° |
P02 | O13 | P03 | O16 | 128.7° | 45.0° |
P02 | O13 | P03 | O18 | 11.1° | 75.0° |
P02 | O13 | P03 | O17 | 109.8° | 165.0° |
O13 | P02 | O15 | H12 | 119.5° | 60.1° |
O15 | P02 | O13 | P03 | 40.6° | 80.0° |
O32 | P30 | O33 | O31 | 110.8° | 120.0° |
O32 | P30 | O31 | H15 | 0.0° | 60.0° |
O32 | P30 | O33 | H16 | 0.0° | 179.9° |
O13 | P03 | O16 | O18 | 124.7° | 120.0° |
O13 | P03 | O16 | O17 | 127.4° | 120.0° |
O13 | P03 | O18 | O17 | 127.5° | 120.0° |
O13 | P03 | O17 | H13 | 125.4° | 179.9° |
O13 | P03 | O18 | H14 | 123.0° | 60.0° |
O33 | P30 | O31 | H15 | 110.0° | 60.0° |
O31 | P30 | O33 | H16 | 110.8° | 59.9° |
O16 | P03 | O18 | O17 | 109.4° | 120.0° |
O16 | P03 | O17 | H13 | 0.0° | 60.1° |
O16 | P03 | O18 | H14 | 0.0° | 180.0° |
O18 | P03 | O17 | H13 | 107.5° | 59.9° |
O17 | P03 | O18 | H14 | 109.5° | 60.0° |
H1 | C21 | C22 | H2 | 35.9° | 0.1° |
H1 | C21 | C23 | H5 | 99.2° | 146.5° |
H1 | C21 | O05 | H9 | 56.1° | 61.2° |
H2 | C22 | C24 | H3 | 157.3° | 146.5° |
H2 | C22 | O06 | H10 | 58.2° | 61.2° |
H4 | C28 | C27 | H8 | 0.1° | 0.0° |
H5 | C23 | C25 | H6 | 48.4° | 67.3° |
H5 | C23 | C25 | H7 | 72.3° | 172.7° |