ZOL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O17 | P14 | sing | 1.61Å | 1.47Å | |
O17 | H17 | sing | 0.97Å | 0.95Å | |
P14 | O16 | sing | 1.61Å | 1.53Å | |
P14 | O15 | doub | 1.48Å | 1.52Å | |
P14 | C8 | sing | 1.82Å | 1.83Å | |
O16 | H1 | sing | 0.97Å | 0.95Å | |
C8 | P9 | sing | 1.82Å | 1.82Å | |
C8 | O13 | sing | 1.43Å | 1.42Å | |
C8 | C7 | sing | 1.53Å | 1.56Å | |
P9 | O10 | sing | 1.61Å | 1.51Å | |
P9 | O11 | sing | 1.61Å | 1.54Å | |
P9 | O12 | doub | 1.48Å | 1.47Å | |
O10 | H10 | sing | 0.97Å | 0.95Å | |
O11 | H11 | sing | 0.97Å | 0.95Å | |
O13 | H13 | sing | 0.97Å | 0.95Å | |
C7 | N15 | sing | 1.46Å | 1.47Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
N15 | C16 | sing | 1.35Å | 1.34Å | Aromatic |
N15 | C19 | sing | 1.37Å | 1.34Å | Aromatic |
C16 | N17 | doub | 1.30Å | 1.34Å | Aromatic |
C16 | H16 | sing | 1.08Å | 1.10Å | |
N17 | C18 | sing | 1.34Å | 1.34Å | Aromatic |
C18 | C19 | doub | 1.35Å | 1.37Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P14 | O17 | H17 | 106.3° | 106.8° |
O17 | P14 | O16 | 106.3° | 109.5° |
O17 | P14 | O15 | 117.0° | 109.5° |
O17 | P14 | C8 | 97.4° | 109.5° |
O16 | P14 | O15 | 113.1° | 109.5° |
O16 | P14 | C8 | 118.0° | 109.5° |
P14 | O16 | H1 | 106.3° | 106.8° |
O15 | P14 | C8 | 104.5° | 109.5° |
P14 | C8 | P9 | 110.5° | 109.5° |
P14 | C8 | O13 | 109.6° | 109.5° |
P14 | C8 | C7 | 115.4° | 109.5° |
P9 | C8 | O13 | 107.8° | 109.5° |
P9 | C8 | C7 | 104.9° | 109.5° |
C8 | P9 | O10 | 110.5° | 109.4° |
C8 | P9 | O11 | 110.1° | 109.5° |
C8 | P9 | O12 | 106.2° | 109.4° |
O13 | C8 | C7 | 108.3° | 109.4° |
C8 | O13 | H13 | 109.6° | 106.8° |
C8 | C7 | N15 | 115.6° | 109.4° |
C8 | C7 | H71 | 110.0° | 109.5° |
C8 | C7 | H72 | 110.0° | 109.5° |
O10 | P9 | O11 | 109.5° | 109.5° |
O10 | P9 | O12 | 107.0° | 109.5° |
P9 | O10 | H10 | 110.5° | 106.8° |
O11 | P9 | O12 | 113.5° | 109.5° |
P9 | O11 | H11 | 110.1° | 106.7° |
N15 | C7 | H71 | 109.9° | 109.5° |
N15 | C7 | H72 | 109.9° | 109.4° |
C7 | N15 | C16 | 127.4° | 126.4° |
C7 | N15 | C19 | 124.4° | 126.4° |
H71 | C7 | H72 | 100.2° | 109.5° |
C16 | N15 | C19 | 108.2° | 107.2° |
N15 | C16 | N17 | 108.8° | 108.7° |
N15 | C16 | H16 | 125.7° | 125.6° |
N15 | C19 | C18 | 107.5° | 106.9° |
N15 | C19 | H19 | 125.4° | 126.6° |
N17 | C16 | H16 | 125.5° | 125.7° |
C16 | N17 | C18 | 107.8° | 109.3° |
N17 | C18 | C19 | 107.7° | 108.0° |
N17 | C18 | H18 | 125.5° | 126.0° |
C19 | C18 | H18 | 126.9° | 126.0° |
C18 | C19 | H19 | 127.2° | 126.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O17 | P14 | O16 | O15 | 129.7° | 120.0° |
O17 | P14 | O16 | C8 | 107.9° | 120.0° |
O17 | P14 | O15 | C8 | 106.4° | 120.0° |
O17 | P14 | O16 | H1 | 179.9° | 60.0° |
O17 | P14 | C8 | P9 | 63.0° | 172.8° |
O17 | P14 | C8 | O13 | 178.3° | 67.2° |
O17 | P14 | C8 | C7 | 55.7° | 52.8° |
H17 | O17 | P14 | O16 | 179.9° | 56.0° |
H17 | O17 | P14 | O15 | 52.6° | 176.0° |
H17 | O17 | P14 | C8 | 57.9° | 64.0° |
O16 | P14 | O15 | C8 | 129.6° | 120.0° |
O16 | P14 | C8 | P9 | 175.9° | 52.8° |
O16 | P14 | C8 | O13 | 65.4° | 172.8° |
O16 | P14 | C8 | C7 | 57.2° | 67.2° |
O15 | P14 | O16 | H1 | 50.4° | 60.0° |
O15 | P14 | C8 | P9 | 57.4° | 67.2° |
O15 | P14 | C8 | O13 | 61.3° | 52.8° |
O15 | P14 | C8 | C7 | 176.2° | 172.8° |
C8 | P14 | O16 | H1 | 72.0° | 180.0° |
P14 | C8 | P9 | O13 | 119.8° | 120.0° |
P14 | C8 | P9 | C7 | 125.0° | 120.0° |
P14 | C8 | O13 | C7 | 126.7° | 120.0° |
P14 | C8 | P9 | O10 | 174.3° | 180.0° |
P14 | C8 | P9 | O11 | 53.2° | 60.0° |
P14 | C8 | P9 | O12 | 70.0° | 60.0° |
P14 | C8 | O13 | H13 | 179.9° | 180.0° |
P14 | C8 | C7 | N15 | 59.1° | 57.0° |
P14 | C8 | C7 | H71 | 66.2° | 177.0° |
P14 | C8 | C7 | H72 | 175.7° | 62.9° |
P9 | C8 | O13 | C7 | 113.0° | 120.0° |
C8 | P9 | O10 | O11 | 121.5° | 120.0° |
C8 | P9 | O10 | O12 | 115.1° | 120.0° |
C8 | P9 | O11 | O12 | 118.8° | 120.0° |
C8 | P9 | O10 | H10 | 180.0° | 60.1° |
C8 | P9 | O11 | H11 | 180.0° | 180.0° |
P9 | C8 | O13 | H13 | 59.8° | 60.0° |
P9 | C8 | C7 | N15 | 179.1° | 63.0° |
P9 | C8 | C7 | H71 | 55.6° | 57.0° |
P9 | C8 | C7 | H72 | 53.9° | 177.1° |
O13 | C8 | P9 | O10 | 65.9° | 60.0° |
O13 | C8 | P9 | O11 | 173.0° | 180.0° |
O13 | C8 | P9 | O12 | 49.7° | 60.0° |
O13 | C8 | C7 | N15 | 64.2° | 177.0° |
O13 | C8 | C7 | H71 | 170.6° | 63.0° |
O13 | C8 | C7 | H72 | 61.1° | 57.1° |
C7 | C8 | P9 | O10 | 49.4° | 60.0° |
C7 | C8 | P9 | O11 | 71.8° | 60.0° |
C7 | C8 | P9 | O12 | 165.0° | 180.0° |
C7 | C8 | O13 | H13 | 53.2° | 60.0° |
C8 | C7 | N15 | H71 | 125.3° | 120.0° |
C8 | C7 | N15 | H72 | 125.3° | 120.0° |
C8 | C7 | H71 | H72 | 115.8° | 120.0° |
C8 | C7 | N15 | C16 | 37.0° | 89.7° |
C8 | C7 | N15 | C19 | 144.2° | 90.6° |
O10 | P9 | O11 | O12 | 119.5° | 120.1° |
O10 | P9 | O11 | H11 | 58.3° | 60.0° |
O11 | P9 | O10 | H10 | 58.5° | 59.9° |
O12 | P9 | O10 | H10 | 64.9° | 180.0° |
O12 | P9 | O11 | H11 | 61.2° | 60.0° |
N15 | C7 | H71 | H72 | 115.7° | 120.0° |
C7 | N15 | C16 | C19 | 178.9° | 179.7° |
C7 | N15 | C16 | N17 | 179.3° | 179.9° |
C7 | N15 | C16 | H16 | 0.7° | 0.2° |
C7 | N15 | C19 | C18 | 179.6° | 180.0° |
C7 | N15 | C19 | H19 | 0.3° | 0.0° |
H71 | C7 | N15 | C16 | 162.3° | 150.3° |
H71 | C7 | N15 | C19 | 18.9° | 29.4° |
H72 | C7 | N15 | C16 | 88.2° | 30.3° |
H72 | C7 | N15 | C19 | 90.5° | 149.4° |
N15 | C16 | N17 | H16 | 180.0° | 179.6° |
N15 | C16 | N17 | C18 | 2.2° | 0.4° |
C16 | N15 | C19 | C18 | 0.6° | 0.3° |
C16 | N15 | C19 | H19 | 179.3° | 179.8° |
C19 | N15 | C16 | N17 | 1.7° | 0.4° |
C19 | N15 | C16 | H16 | 178.2° | 180.0° |
N15 | C19 | C18 | N17 | 0.7° | 0.0° |
N15 | C19 | C18 | H19 | 179.9° | 180.0° |
N15 | C19 | C18 | H18 | 179.3° | 180.0° |
C16 | N17 | C18 | C19 | 1.7° | 0.2° |
C16 | N17 | C18 | H18 | 178.2° | 179.8° |
H16 | C16 | N17 | C18 | 177.8° | 180.0° |
N17 | C18 | C19 | H18 | 179.9° | 180.0° |
N17 | C18 | C19 | H19 | 179.4° | 180.0° |
H18 | C18 | C19 | H19 | 0.7° | 0.0° |