ZM1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O17 | C16 | doub | 1.21Å | 1.19Å | |
O08 | C07 | sing | 1.43Å | 1.41Å | |
C16 | C04 | sing | 1.51Å | 1.54Å | |
C07 | C09 | sing | 1.53Å | 1.52Å | |
C07 | C05 | sing | 1.53Å | 1.53Å | |
C09 | C10 | sing | 1.53Å | 1.52Å | |
C10 | O11 | sing | 1.43Å | 1.39Å | |
C04 | N03 | sing | 1.46Å | 1.46Å | |
C04 | C05 | sing | 1.53Å | 1.54Å | |
N03 | C02 | sing | 1.35Å | 1.46Å | |
C05 | O06 | sing | 1.43Å | 1.41Å | |
O11 | P12 | sing | 1.61Å | 1.65Å | |
O14 | P12 | doub | 1.48Å | 1.51Å | |
C02 | C01 | sing | 1.51Å | 1.51Å | |
C02 | O18 | doub | 1.21Å | 1.19Å | |
P12 | O13 | sing | 1.61Å | 1.52Å | |
P12 | O15 | sing | 1.61Å | 1.52Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
N03 | H6 | sing | 0.97Å | 1.00Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
O06 | H9 | sing | 0.97Å | 0.95Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
O08 | H11 | sing | 0.97Å | 0.95Å | |
C09 | H12 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
O13 | H14 | sing | 0.97Å | 0.95Å | |
O15 | H15 | sing | 0.97Å | 0.95Å | |
C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O17 | C16 | C04 | 123.5° | 120.0° |
O17 | C16 | H16 | 118.2° | 120.0° |
O08 | C07 | C09 | 109.9° | 109.5° |
O08 | C07 | C05 | 109.1° | 109.4° |
O08 | C07 | H10 | 111.0° | 109.5° |
C07 | O08 | H11 | 109.5° | 114.0° |
C16 | C04 | N03 | 111.3° | 109.5° |
C16 | C04 | C05 | 109.8° | 109.5° |
C16 | C04 | H7 | 107.9° | 109.5° |
C04 | C16 | H16 | 118.3° | 120.0° |
C09 | C07 | C05 | 108.1° | 109.5° |
C07 | C09 | C10 | 108.5° | 109.4° |
C09 | C07 | H10 | 109.3° | 109.5° |
C07 | C09 | H12 | 109.7° | 109.5° |
C07 | C09 | H13 | 109.7° | 109.5° |
C07 | C05 | C04 | 107.5° | 109.5° |
C07 | C05 | O06 | 109.2° | 109.4° |
C07 | C05 | H8 | 109.0° | 109.4° |
C05 | C07 | H10 | 109.3° | 109.4° |
C09 | C10 | O11 | 107.8° | 109.4° |
C09 | C10 | H1 | 109.9° | 109.5° |
C09 | C10 | H2 | 109.9° | 109.5° |
C10 | C09 | H12 | 109.7° | 109.5° |
C10 | C09 | H13 | 109.7° | 109.5° |
C10 | O11 | P12 | 112.7° | 123.0° |
O11 | C10 | H1 | 109.9° | 109.4° |
O11 | C10 | H2 | 109.9° | 109.5° |
N03 | C04 | C05 | 110.9° | 109.5° |
C04 | N03 | C02 | 120.7° | 120.0° |
C04 | N03 | H6 | 119.7° | 120.0° |
N03 | C04 | H7 | 108.9° | 109.5° |
C04 | C05 | O06 | 111.5° | 109.5° |
C05 | C04 | H7 | 108.0° | 109.4° |
C04 | C05 | H8 | 108.9° | 109.5° |
N03 | C02 | C01 | 118.2° | 120.0° |
N03 | C02 | O18 | 123.9° | 120.0° |
C02 | N03 | H6 | 119.7° | 120.0° |
O06 | C05 | H8 | 110.6° | 109.5° |
C05 | O06 | H9 | 109.5° | 114.0° |
O11 | P12 | O14 | 109.3° | 109.5° |
O11 | P12 | O13 | 105.1° | 109.5° |
O11 | P12 | O15 | 108.0° | 109.5° |
O14 | P12 | O13 | 113.6° | 109.5° |
O14 | P12 | O15 | 106.0° | 109.5° |
C01 | C02 | O18 | 117.9° | 120.0° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.5° | 109.4° |
O13 | P12 | O15 | 114.6° | 109.5° |
P12 | O13 | H14 | 109.5° | 114.0° |
P12 | O15 | H15 | 109.5° | 114.0° |
H1 | C10 | H2 | 109.4° | 109.5° |
H3 | C01 | H4 | 109.4° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.5° |
H12 | C09 | H13 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O17 | C16 | C04 | H16 | 180.0° | 180.0° |
O17 | C16 | C04 | N03 | 176.9° | 4.0° |
O17 | C16 | C04 | C05 | 60.0° | 124.0° |
O17 | C16 | C04 | H7 | 57.5° | 116.1° |
O08 | C07 | C09 | C05 | 119.0° | 120.0° |
O08 | C07 | C09 | H10 | 122.1° | 120.1° |
O08 | C07 | C05 | H10 | 121.6° | 120.0° |
O08 | C07 | C09 | C10 | 24.8° | 65.0° |
O08 | C07 | C05 | C04 | 66.1° | 57.9° |
O08 | C07 | C05 | O06 | 55.0° | 62.2° |
O08 | C07 | C05 | H8 | 176.0° | 177.8° |
O08 | C07 | C09 | H12 | 95.0° | 55.0° |
O08 | C07 | C09 | H13 | 144.7° | 175.0° |
C16 | C04 | C05 | C07 | 22.6° | 178.5° |
C16 | C04 | N03 | C05 | 122.6° | 120.0° |
C16 | C04 | N03 | H7 | 118.8° | 120.0° |
C16 | C04 | C05 | H7 | 117.4° | 120.0° |
C16 | C04 | N03 | C02 | 100.0° | 85.0° |
C16 | C04 | C05 | O06 | 142.2° | 61.5° |
C16 | C04 | N03 | H6 | 80.0° | 95.0° |
C16 | C04 | C05 | H8 | 95.4° | 58.6° |
C09 | C07 | C05 | H10 | 118.9° | 120.0° |
C07 | C09 | C10 | H12 | 119.9° | 120.0° |
C07 | C09 | C10 | H13 | 119.9° | 120.0° |
C07 | C09 | C10 | O11 | 82.6° | 180.0° |
C09 | C07 | C05 | C04 | 174.4° | 177.9° |
C09 | C07 | C05 | O06 | 64.5° | 57.8° |
C07 | C09 | C10 | H1 | 37.1° | 60.0° |
C07 | C09 | C10 | H2 | 157.6° | 60.0° |
C09 | C07 | C05 | H8 | 56.5° | 62.2° |
C09 | C07 | O08 | H11 | 180.0° | 59.9° |
C07 | C09 | H12 | H13 | 120.5° | 120.0° |
C05 | C07 | C09 | C10 | 94.2° | 175.0° |
C07 | C05 | C04 | N03 | 100.8° | 58.5° |
C07 | C05 | C04 | O06 | 119.7° | 120.0° |
C07 | C05 | C04 | H8 | 118.0° | 119.9° |
C07 | C05 | O06 | H8 | 120.0° | 119.9° |
C07 | C05 | C04 | H7 | 140.0° | 61.5° |
C07 | C05 | O06 | H9 | 180.0° | 60.1° |
C05 | C07 | O08 | H11 | 61.6° | 60.1° |
C05 | C07 | C09 | H12 | 146.0° | 65.0° |
C05 | C07 | C09 | H13 | 25.7° | 55.0° |
C09 | C10 | O11 | H1 | 119.8° | 119.9° |
C09 | C10 | O11 | H2 | 119.7° | 120.0° |
C09 | C10 | O11 | P12 | 100.1° | 180.0° |
C09 | C10 | H1 | H2 | 120.8° | 120.0° |
C10 | C09 | C07 | H10 | 146.9° | 55.0° |
C10 | C09 | H12 | H13 | 120.5° | 120.0° |
C10 | O11 | P12 | O14 | 27.2° | 55.0° |
C10 | O11 | P12 | O13 | 95.2° | 65.0° |
C10 | O11 | P12 | O15 | 142.1° | 175.0° |
O11 | C10 | H1 | H2 | 120.8° | 120.1° |
O11 | C10 | C09 | H12 | 157.5° | 60.0° |
O11 | C10 | C09 | H13 | 37.2° | 60.1° |
N03 | C04 | C05 | H7 | 119.2° | 120.0° |
C04 | N03 | C02 | H6 | 180.0° | 179.9° |
N03 | C04 | C05 | O06 | 18.8° | 178.5° |
C04 | N03 | C02 | C01 | 178.7° | 180.0° |
C04 | N03 | C02 | O18 | 0.1° | 0.0° |
N03 | C04 | C05 | H8 | 141.2° | 61.4° |
N03 | C04 | C16 | H16 | 3.1° | 176.0° |
C05 | C04 | N03 | C02 | 137.4° | 155.0° |
C04 | C05 | O06 | H8 | 121.4° | 120.0° |
C05 | C04 | N03 | H6 | 42.6° | 25.0° |
C04 | C05 | O06 | H9 | 61.4° | 59.9° |
C04 | C05 | C07 | H10 | 55.5° | 62.1° |
C05 | C04 | C16 | H16 | 120.0° | 56.0° |
N03 | C02 | C01 | O18 | 178.9° | 179.9° |
N03 | C02 | C01 | H3 | 178.9° | 90.0° |
N03 | C02 | C01 | H4 | 61.1° | 30.1° |
N03 | C02 | C01 | H5 | 58.9° | 150.0° |
C02 | N03 | C04 | H7 | 18.7° | 35.0° |
O06 | C05 | C04 | H7 | 100.4° | 58.5° |
O06 | C05 | C07 | H10 | 176.6° | 177.9° |
O11 | P12 | O14 | O13 | 117.1° | 120.0° |
O11 | P12 | O14 | O15 | 116.2° | 120.0° |
O11 | P12 | O13 | O15 | 118.5° | 120.0° |
P12 | O11 | C10 | H1 | 140.1° | 60.0° |
P12 | O11 | C10 | H2 | 19.6° | 60.0° |
O11 | P12 | O13 | H14 | 119.5° | 60.0° |
O11 | P12 | O15 | H15 | 117.1° | 180.0° |
O14 | P12 | O13 | O15 | 122.0° | 120.0° |
O14 | P12 | O13 | H14 | 0.0° | 180.0° |
O14 | P12 | O15 | H15 | 0.0° | 60.0° |
C02 | C01 | H3 | H4 | 120.0° | 120.0° |
C02 | C01 | H3 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H5 | 120.0° | 119.9° |
C01 | C02 | N03 | H6 | 1.3° | 0.1° |
O18 | C02 | C01 | H3 | 0.0° | 90.0° |
O18 | C02 | C01 | H4 | 120.0° | 150.0° |
O18 | C02 | C01 | H5 | 120.0° | 30.0° |
O18 | C02 | N03 | H6 | 179.9° | 180.0° |
O13 | P12 | O15 | H15 | 126.1° | 60.0° |
O15 | P12 | O13 | H14 | 122.0° | 60.0° |
H1 | C10 | C09 | H12 | 82.7° | 60.0° |
H1 | C10 | C09 | H13 | 157.0° | NaN° |
H2 | C10 | C09 | H12 | 37.8° | 180.0° |
H2 | C10 | C09 | H13 | 82.5° | 60.0° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |
H6 | N03 | C04 | H7 | 161.3° | 144.9° |
H7 | C04 | C05 | H8 | 22.0° | 178.6° |
H7 | C04 | C16 | H16 | 122.5° | 63.9° |
H8 | C05 | O06 | H9 | 60.0° | 180.0° |
H8 | C05 | C07 | H10 | 62.5° | 57.9° |
H10 | C07 | O08 | H11 | 58.9° | 180.0° |
H10 | C07 | C09 | H12 | 27.1° | 175.0° |
H10 | C07 | C09 | H13 | 93.2° | 64.9° |