6YZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O37 | P12 | doub | 1.48Å | 1.52Å | |
O13 | P12 | sing | 1.61Å | 1.51Å | |
P12 | C11 | sing | 1.82Å | 1.82Å | |
P12 | O14 | sing | 1.61Å | 1.61Å | |
C11 | P09 | sing | 1.82Å | 1.82Å | |
O36 | P15 | doub | 1.48Å | 1.53Å | |
O14 | P15 | sing | 1.61Å | 1.59Å | |
O39 | P02 | doub | 1.48Å | 1.48Å | |
P15 | O16 | sing | 1.61Å | 1.51Å | |
P15 | O17 | sing | 1.61Å | 1.65Å | |
O08 | P09 | sing | 1.61Å | 1.65Å | |
O08 | P02 | sing | 1.61Å | 1.63Å | |
P09 | O10 | doub | 1.48Å | 1.50Å | |
P09 | O38 | sing | 1.61Å | 1.54Å | |
O33 | C32 | sing | 1.43Å | 1.49Å | |
P02 | O01 | sing | 1.61Å | 1.52Å | |
P02 | O03 | sing | 1.61Å | 1.60Å | |
N24 | C23 | doub | 1.30Å | 1.37Å | Aromatic |
N24 | C25 | sing | 1.35Å | 1.36Å | Aromatic |
C32 | C34 | sing | 1.55Å | 1.49Å | |
C32 | C21 | sing | 1.55Å | 1.33Å | |
C23 | N22 | sing | 1.36Å | 1.35Å | Aromatic |
O05 | P04 | doub | 1.48Å | 1.52Å | |
O17 | C18 | sing | 1.43Å | 1.45Å | |
O07 | P04 | sing | 1.61Å | 1.52Å | |
N31 | C30 | sing | 1.38Å | 1.45Å | |
C34 | O35 | sing | 1.43Å | 1.34Å | |
C34 | C19 | sing | 1.54Å | 1.56Å | |
C25 | C30 | doub | 1.41Å | 1.45Å | Aromatic |
C25 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
N22 | C21 | sing | 1.46Å | 1.40Å | |
N22 | C26 | sing | 1.37Å | 1.40Å | Aromatic |
P04 | O03 | sing | 1.61Å | 1.64Å | |
P04 | O06 | sing | 1.61Å | 1.49Å | |
C30 | N29 | sing | 1.33Å | 1.38Å | Aromatic |
C21 | O20 | sing | 1.44Å | 1.61Å | |
C26 | N27 | doub | 1.33Å | 1.41Å | Aromatic |
C18 | C19 | sing | 1.53Å | 1.55Å | |
C19 | O20 | sing | 1.44Å | 1.28Å | |
N29 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
N27 | C28 | sing | 1.32Å | 1.35Å | Aromatic |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
O06 | H2 | sing | 0.97Å | 0.95Å | |
O07 | H3 | sing | 0.97Å | 0.95Å | |
O13 | H4 | sing | 0.97Å | 0.95Å | |
O16 | H5 | sing | 0.97Å | 0.95Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C28 | H281 | sing | 1.08Å | 1.08Å | |
N31 | H311 | sing | 0.97Å | 1.00Å | |
N31 | H312 | sing | 0.97Å | 1.00Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
O33 | H331 | sing | 0.97Å | 0.95Å | |
C34 | H341 | sing | 1.09Å | 1.10Å | |
O35 | H351 | sing | 0.97Å | 0.95Å | |
O38 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O37 | P12 | O13 | 111.6° | 109.4° |
O37 | P12 | C11 | 110.2° | 109.5° |
O37 | P12 | O14 | 108.8° | 109.5° |
O13 | P12 | C11 | 106.7° | 109.5° |
O13 | P12 | O14 | 107.9° | 109.5° |
P12 | O13 | H4 | 109.5° | 114.0° |
C11 | P12 | O14 | 111.6° | 109.5° |
P12 | C11 | P09 | 117.4° | 109.5° |
P12 | C11 | H111 | 107.5° | 109.5° |
P12 | C11 | H112 | 107.5° | 109.5° |
P12 | O14 | P15 | 127.4° | 134.0° |
C11 | P09 | O08 | 119.1° | 109.5° |
C11 | P09 | O10 | 98.8° | 109.5° |
C11 | P09 | O38 | 112.8° | 109.5° |
P09 | C11 | H111 | 107.5° | 109.5° |
P09 | C11 | H112 | 107.4° | 109.5° |
O36 | P15 | O14 | 110.5° | 109.5° |
O36 | P15 | O16 | 112.6° | 109.5° |
O36 | P15 | O17 | 107.6° | 109.5° |
O14 | P15 | O16 | 113.3° | 109.5° |
O14 | P15 | O17 | 104.9° | 109.5° |
O39 | P02 | O08 | 102.0° | 109.4° |
O39 | P02 | O01 | 111.4° | 109.5° |
O39 | P02 | O03 | 106.4° | 109.5° |
O16 | P15 | O17 | 107.5° | 109.5° |
P15 | O16 | H5 | 109.5° | 114.0° |
P15 | O17 | C18 | 118.5° | 123.0° |
P09 | O08 | P02 | 132.6° | 134.0° |
O08 | P09 | O10 | 103.4° | 109.5° |
O08 | P09 | O38 | 108.6° | 109.5° |
O08 | P02 | O01 | 113.3° | 109.5° |
O08 | P02 | O03 | 122.3° | 109.5° |
O10 | P09 | O38 | 113.6° | 109.5° |
P09 | O38 | H6 | 109.5° | 114.0° |
O33 | C32 | C34 | 105.8° | 110.9° |
O33 | C32 | C21 | 114.1° | 110.9° |
O33 | C32 | H321 | 110.0° | 110.9° |
C32 | O33 | H331 | 109.5° | 114.0° |
O01 | P02 | O03 | 101.4° | 109.5° |
P02 | O01 | H1 | 109.5° | 114.0° |
P02 | O03 | P04 | 130.9° | 134.0° |
C23 | N24 | C25 | 108.6° | 109.5° |
N24 | C23 | N22 | 108.9° | 110.0° |
N24 | C23 | H231 | 125.6° | 125.0° |
N24 | C25 | C30 | 134.5° | 134.7° |
N24 | C25 | C26 | 107.7° | 107.1° |
C34 | C32 | C21 | 103.9° | 102.1° |
C32 | C34 | O35 | 112.0° | 110.4° |
C32 | C34 | C19 | 105.6° | 104.2° |
C34 | C32 | H321 | 110.0° | 110.9° |
C32 | C34 | H341 | 109.7° | 110.5° |
C32 | C21 | N22 | 115.8° | 110.7° |
C32 | C21 | O20 | 105.0° | 103.5° |
C32 | C21 | H211 | 111.3° | 110.6° |
C21 | C32 | H321 | 112.6° | 110.9° |
C23 | N22 | C21 | 124.9° | 126.2° |
C23 | N22 | C26 | 108.1° | 107.5° |
N22 | C23 | H231 | 125.5° | 125.1° |
O05 | P04 | O07 | 111.2° | 109.5° |
O05 | P04 | O03 | 108.1° | 109.4° |
O05 | P04 | O06 | 108.1° | 109.5° |
O17 | C18 | C19 | 109.2° | 109.5° |
O17 | C18 | H181 | 109.5° | 109.5° |
O17 | C18 | H182 | 109.5° | 109.4° |
O07 | P04 | O03 | 115.8° | 109.5° |
O07 | P04 | O06 | 104.9° | 109.5° |
P04 | O07 | H3 | 109.5° | 114.0° |
N31 | C30 | C25 | 119.4° | 120.7° |
N31 | C30 | N29 | 120.7° | 120.8° |
C30 | N31 | H311 | 109.5° | 120.1° |
C30 | N31 | H312 | 109.4° | 120.0° |
O35 | C34 | C19 | 108.4° | 110.5° |
O35 | C34 | H341 | 112.0° | 110.4° |
C34 | O35 | H351 | 109.5° | 114.0° |
C34 | C19 | C18 | 107.3° | 110.0° |
C34 | C19 | O20 | 105.6° | 107.3° |
C34 | C19 | H191 | 108.5° | 109.8° |
C19 | C34 | H341 | 108.8° | 110.7° |
C30 | C25 | C26 | 117.9° | 118.2° |
C25 | C30 | N29 | 119.8° | 118.4° |
C25 | C26 | N22 | 106.7° | 106.0° |
C25 | C26 | N27 | 118.8° | 119.1° |
C21 | N22 | C26 | 127.0° | 126.3° |
N22 | C21 | O20 | 106.6° | 110.6° |
N22 | C21 | H211 | 110.1° | 110.5° |
N22 | C26 | N27 | 134.5° | 134.9° |
O03 | P04 | O06 | 108.4° | 109.5° |
P04 | O06 | H2 | 109.5° | 114.0° |
C30 | N29 | C28 | 120.0° | 121.2° |
C21 | O20 | C19 | 108.7° | 107.0° |
O20 | C21 | H211 | 107.5° | 110.7° |
C26 | N27 | C28 | 120.4° | 120.6° |
C18 | C19 | O20 | 113.6° | 109.9° |
C18 | C19 | H191 | 108.6° | 109.9° |
C19 | C18 | H181 | 109.5° | 109.5° |
C19 | C18 | H182 | 109.5° | 109.4° |
O20 | C19 | H191 | 112.8° | 109.9° |
N29 | C28 | N27 | 123.1° | 122.5° |
N29 | C28 | H281 | 118.5° | 118.8° |
N27 | C28 | H281 | 118.4° | 118.7° |
H111 | C11 | H112 | 109.5° | 109.5° |
H181 | C18 | H182 | 109.4° | 109.5° |
H311 | N31 | H312 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O37 | P12 | O13 | C11 | 120.4° | 120.0° |
O37 | P12 | O13 | O14 | 119.5° | 120.0° |
O37 | P12 | C11 | O14 | 121.0° | 120.0° |
O37 | P12 | C11 | P09 | 166.6° | 59.9° |
O37 | P12 | O14 | P15 | 115.0° | 60.0° |
O37 | P12 | C11 | H111 | 72.3° | 60.1° |
O37 | P12 | C11 | H112 | 45.5° | 180.0° |
O37 | P12 | O13 | H4 | 0.0° | 180.0° |
O13 | P12 | C11 | O14 | 117.7° | 120.0° |
O13 | P12 | C11 | P09 | 45.2° | 60.0° |
O13 | P12 | O14 | P15 | 6.3° | 60.0° |
O13 | P12 | C11 | H111 | 166.4° | 180.0° |
O13 | P12 | C11 | H112 | 75.9° | 60.0° |
P12 | C11 | P09 | H111 | 121.2° | 120.0° |
P12 | C11 | P09 | H112 | 121.1° | 120.0° |
C11 | P12 | O14 | P15 | 123.2° | 180.0° |
P12 | C11 | P09 | O08 | 101.2° | 180.0° |
P12 | C11 | P09 | O10 | 148.1° | 60.0° |
P12 | C11 | P09 | O38 | 27.8° | 60.0° |
P12 | C11 | H111 | H112 | 116.4° | 120.0° |
C11 | P12 | O13 | H4 | 120.4° | 60.1° |
O14 | P12 | C11 | P09 | 72.5° | 180.0° |
P12 | O14 | P15 | O36 | 86.2° | 45.0° |
P12 | O14 | P15 | O16 | 41.2° | 75.0° |
P12 | O14 | P15 | O17 | 158.2° | 165.0° |
O14 | P12 | C11 | H111 | 48.7° | 60.0° |
O14 | P12 | C11 | H112 | 166.4° | 60.0° |
O14 | P12 | O13 | H4 | 119.5° | 60.0° |
C11 | P09 | O08 | O10 | 108.2° | 120.0° |
C11 | P09 | O08 | O38 | 130.9° | 120.0° |
C11 | P09 | O08 | P02 | 141.8° | 179.9° |
C11 | P09 | O10 | O38 | 119.6° | 120.0° |
P09 | C11 | H111 | H112 | 116.4° | 120.0° |
C11 | P09 | O38 | H6 | 111.3° | 60.0° |
O36 | P15 | O14 | O16 | 127.4° | 120.0° |
O36 | P15 | O14 | O17 | 115.6° | 120.0° |
O36 | P15 | O16 | O17 | 118.2° | 120.0° |
O36 | P15 | O17 | C18 | 178.8° | 55.0° |
O36 | P15 | O16 | H5 | 0.0° | 180.0° |
O14 | P15 | O16 | O17 | 115.4° | 120.0° |
O14 | P15 | O17 | C18 | 61.2° | 174.9° |
O14 | P15 | O16 | H5 | 126.4° | 60.0° |
O39 | P02 | O08 | P09 | 142.4° | 40.1° |
O39 | P02 | O08 | O01 | 119.8° | 120.0° |
O39 | P02 | O08 | O03 | 118.4° | 120.0° |
O39 | P02 | O01 | O03 | 112.8° | 120.0° |
O39 | P02 | O03 | P04 | 43.6° | 45.0° |
O39 | P02 | O01 | H1 | 0.0° | 180.0° |
O16 | P15 | O17 | C18 | 59.7° | 65.0° |
P15 | O17 | C18 | C19 | 139.0° | 180.0° |
P15 | O17 | C18 | H181 | 19.0° | 60.0° |
P15 | O17 | C18 | H182 | 101.1° | 60.1° |
O17 | P15 | O16 | H5 | 118.2° | 60.0° |
O08 | P09 | O10 | O38 | 117.5° | 120.0° |
P09 | O08 | P02 | O01 | 22.6° | 80.0° |
P09 | O08 | P02 | O03 | 99.2° | 160.0° |
O08 | P09 | C11 | H111 | 137.7° | 60.0° |
O08 | P09 | C11 | H112 | 19.9° | 60.0° |
O08 | P09 | O38 | H6 | 114.5° | 60.0° |
P02 | O08 | P09 | O10 | 110.0° | 59.9° |
P02 | O08 | P09 | O38 | 11.0° | 60.0° |
O08 | P02 | O01 | O03 | 132.9° | 120.0° |
O08 | P02 | O03 | P04 | 72.7° | 164.9° |
O08 | P02 | O01 | H1 | 114.3° | 60.0° |
O10 | P09 | C11 | H111 | 26.9° | 180.0° |
O10 | P09 | C11 | H112 | 90.8° | 60.0° |
O10 | P09 | O38 | H6 | 0.0° | 180.0° |
O38 | P09 | C11 | H111 | 93.4° | 60.0° |
O38 | P09 | C11 | H112 | 148.9° | 180.0° |
O33 | C32 | C34 | C21 | 120.5° | 118.2° |
O33 | C32 | C34 | H321 | 118.7° | 123.6° |
O33 | C32 | C21 | H321 | 126.3° | 123.6° |
O33 | C32 | C34 | O35 | 33.0° | 20.4° |
O33 | C32 | C34 | C19 | 150.9° | 139.0° |
O33 | C32 | C21 | N22 | 95.3° | 86.2° |
O33 | C32 | C21 | O20 | 147.4° | 155.2° |
O33 | C32 | C21 | H211 | 31.4° | 36.7° |
O33 | C32 | C34 | H341 | 92.0° | 102.1° |
O01 | P02 | O03 | P04 | 160.1° | 75.0° |
P02 | O03 | P04 | O05 | 46.1° | 45.0° |
P02 | O03 | P04 | O07 | 79.4° | 75.0° |
P02 | O03 | P04 | O06 | 163.1° | 165.0° |
O03 | P02 | O01 | H1 | 112.8° | 60.0° |
N24 | C23 | N22 | H231 | 180.0° | 179.9° |
C23 | N24 | C25 | C30 | 179.1° | 180.0° |
C23 | N24 | C25 | C26 | 0.7° | 0.2° |
N24 | C23 | N22 | C21 | 179.9° | 180.0° |
N24 | C23 | N22 | C26 | 1.3° | 0.3° |
C25 | N24 | C23 | N22 | 1.2° | 0.0° |
N24 | C25 | C30 | N31 | 1.0° | 0.0° |
N24 | C25 | C30 | C26 | 179.8° | 179.8° |
N24 | C25 | C26 | N22 | 0.0° | 0.4° |
N24 | C25 | C30 | N29 | 179.5° | 179.3° |
N24 | C25 | C26 | N27 | 179.9° | 179.8° |
C25 | N24 | C23 | H231 | 178.8° | 179.9° |
C34 | C32 | C21 | H321 | 119.0° | 118.1° |
C32 | C34 | O35 | C19 | 116.2° | 114.7° |
C32 | C34 | O35 | H341 | 123.8° | 122.5° |
C32 | C34 | C19 | H341 | 117.7° | 118.8° |
C34 | C32 | C21 | N22 | 149.9° | 155.6° |
C34 | C32 | C21 | O20 | 32.6° | 37.0° |
C32 | C34 | C19 | C18 | 108.0° | 121.6° |
C32 | C34 | C19 | O20 | 13.6° | 2.1° |
C32 | C34 | C19 | H191 | 134.8° | 117.4° |
C34 | C32 | C21 | H211 | 83.4° | 81.6° |
C34 | C32 | O33 | H331 | 180.0° | 61.4° |
C32 | C34 | O35 | H351 | 180.0° | 61.4° |
C32 | C21 | N22 | C23 | 50.3° | 90.3° |
C21 | C32 | C34 | O35 | 87.5° | 97.8° |
C21 | C32 | C34 | C19 | 30.3° | 20.8° |
C32 | C21 | N22 | O20 | 116.4° | 114.1° |
C32 | C21 | N22 | H211 | 127.3° | 122.9° |
C32 | C21 | N22 | C26 | 131.4° | 89.4° |
C32 | C21 | O20 | H211 | 118.6° | 118.5° |
C32 | C21 | O20 | C19 | 26.0° | 40.1° |
C21 | C32 | O33 | H331 | 66.4° | 174.1° |
C21 | C32 | C34 | H341 | 147.4° | 139.7° |
C23 | N22 | C26 | C25 | 0.8° | 0.4° |
C23 | N22 | C21 | C26 | 178.4° | 179.7° |
C23 | N22 | C21 | O20 | 66.1° | 23.8° |
C23 | N22 | C26 | N27 | 179.4° | 179.8° |
C23 | N22 | C21 | H211 | 177.6° | 146.7° |
O05 | P04 | O07 | O03 | 123.9° | 120.0° |
O05 | P04 | O07 | O06 | 116.6° | 120.0° |
O05 | P04 | O03 | O06 | 117.0° | 120.0° |
O05 | P04 | O06 | H2 | 0.0° | 60.0° |
O05 | P04 | O07 | H3 | 0.0° | 179.9° |
O17 | C18 | C19 | C34 | 68.7° | 175.7° |
O17 | C18 | C19 | H181 | 120.0° | 120.0° |
O17 | C18 | C19 | H182 | 120.0° | 119.9° |
O17 | C18 | C19 | O20 | 47.7° | 66.4° |
O17 | C18 | C19 | H191 | 174.2° | 54.7° |
O17 | C18 | H181 | H182 | 120.1° | 120.0° |
O07 | P04 | O03 | O06 | 117.5° | 120.0° |
O07 | P04 | O06 | H2 | 118.7° | 60.0° |
N31 | C30 | C25 | N29 | 178.5° | 179.2° |
N31 | C30 | C25 | C26 | 179.2° | 179.8° |
N31 | C30 | N29 | C28 | 178.7° | 180.0° |
C30 | N31 | H311 | H312 | 120.0° | 180.0° |
O35 | C34 | C19 | H341 | 122.0° | 122.6° |
O35 | C34 | C19 | C18 | 131.8° | 119.8° |
O35 | C34 | C19 | O20 | 106.7° | 120.7° |
O35 | C34 | C19 | H191 | 14.6° | 1.2° |
O35 | C34 | C32 | H321 | 151.7° | 144.0° |
C34 | C19 | O20 | C21 | 5.7° | 26.6° |
C34 | C19 | C18 | O20 | 116.4° | 117.9° |
C34 | C19 | C18 | H191 | 117.2° | 121.0° |
C34 | C19 | O20 | H191 | 118.4° | 119.4° |
C34 | C19 | C18 | H181 | 51.3° | 55.6° |
C34 | C19 | C18 | H182 | 171.4° | 64.4° |
C19 | C34 | C32 | H321 | 90.4° | 97.3° |
C19 | C34 | O35 | H351 | 63.8° | 176.2° |
C30 | C25 | C26 | N22 | 179.9° | 179.8° |
C30 | C25 | C26 | N27 | 0.2° | 0.1° |
C25 | C30 | N29 | C28 | 0.2° | 0.7° |
C25 | C30 | N31 | H311 | 178.5° | 0.0° |
C25 | C30 | N31 | H312 | 61.5° | 180.0° |
C25 | C26 | N22 | C21 | 179.4° | 179.9° |
C25 | C26 | N22 | N27 | 179.8° | 179.9° |
C26 | C25 | C30 | N29 | 0.7° | 0.5° |
C25 | C26 | N27 | C28 | 0.7° | 0.1° |
N22 | C21 | O20 | H211 | 118.0° | 122.8° |
C21 | N22 | C26 | N27 | 0.8° | 0.0° |
N22 | C21 | O20 | C19 | 149.3° | 158.7° |
C21 | N22 | C23 | H231 | 0.1° | 0.1° |
N22 | C21 | C32 | H321 | 30.9° | 37.4° |
C26 | N22 | C21 | O20 | 112.2° | 156.5° |
N22 | C26 | N27 | C28 | 179.1° | 180.0° |
C26 | N22 | C21 | H211 | 4.0° | 33.5° |
C26 | N22 | C23 | H231 | 178.8° | 179.8° |
O03 | P04 | O06 | H2 | 117.0° | 180.0° |
O03 | P04 | O07 | H3 | 123.9° | 60.0° |
O06 | P04 | O07 | H3 | 116.6° | 60.1° |
C30 | N29 | C28 | N27 | 0.8° | 0.5° |
C30 | N29 | C28 | H281 | 179.2° | 179.6° |
N29 | C30 | N31 | H311 | 0.0° | 179.2° |
N29 | C30 | N31 | H312 | 120.0° | 0.8° |
C21 | O20 | C19 | C18 | 123.1° | 146.1° |
C21 | O20 | C19 | H191 | 112.7° | 92.8° |
O20 | C21 | C32 | H321 | 86.4° | 81.1° |
C26 | N27 | C28 | N29 | 1.3° | 0.0° |
C26 | N27 | C28 | H281 | 178.8° | 180.0° |
C18 | C19 | O20 | H191 | 124.2° | 121.1° |
C19 | C18 | H181 | H182 | 120.1° | 120.0° |
C18 | C19 | C34 | H341 | 9.8° | 2.8° |
O20 | C19 | C18 | H181 | 167.7° | 173.5° |
O20 | C19 | C18 | H182 | 72.2° | 53.5° |
C19 | O20 | C21 | H211 | 92.7° | 78.4° |
O20 | C19 | C34 | H341 | 131.3° | 116.7° |
N29 | C28 | N27 | H281 | 180.0° | 180.0° |
H191 | C19 | C18 | H181 | 65.9° | 65.4° |
H191 | C19 | C18 | H182 | 54.2° | 174.6° |
H191 | C19 | C34 | H341 | 107.5° | 123.8° |
H211 | C21 | C32 | H321 | 157.6° | 160.3° |
H321 | C32 | O33 | H331 | 61.3° | 62.2° |
H321 | C32 | C34 | H341 | 26.7° | 21.6° |
H341 | C34 | O35 | H351 | 56.3° | 61.1° |