OKP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | C08 | sing | 1.53Å | 1.47Å | |
C07 | C06 | sing | 1.53Å | 1.50Å | |
C08 | C09 | sing | 1.53Å | 1.46Å | |
N05 | C06 | sing | 1.47Å | 1.40Å | |
N05 | C04 | sing | 1.47Å | 1.45Å | |
C02 | N01 | sing | 1.47Å | 1.40Å | |
C02 | C03 | sing | 1.53Å | 1.49Å | |
C04 | C03 | sing | 1.53Å | 1.43Å | |
C09 | C10 | sing | 1.53Å | 1.45Å | |
C10 | B11 | sing | 1.57Å | 1.50Å | |
O12 | B11 | sing | 1.42Å | 1.35Å | |
B11 | O13 | sing | 1.42Å | 1.34Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
N01 | H17 | sing | 1.01Å | 1.00Å | |
N01 | H18 | sing | 1.01Å | 1.00Å | |
N05 | H20 | sing | 1.01Å | 1.00Å | |
O12 | H22 | sing | 0.97Å | 0.95Å | |
O13 | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C07 | C06 | 110.2° | 109.5° |
C07 | C08 | C09 | 109.9° | 109.5° |
C08 | C07 | H11 | 109.3° | 109.5° |
C08 | C07 | H12 | 109.3° | 109.5° |
C07 | C08 | H13 | 109.4° | 109.4° |
C07 | C08 | H14 | 109.3° | 109.5° |
C07 | C06 | N05 | 110.0° | 109.5° |
C07 | C06 | H9 | 109.4° | 109.5° |
C07 | C06 | H10 | 109.4° | 109.5° |
C06 | C07 | H11 | 109.3° | 109.5° |
C06 | C07 | H12 | 109.3° | 109.5° |
C08 | C09 | C10 | 110.5° | 109.5° |
C09 | C08 | H13 | 109.3° | 109.5° |
C09 | C08 | H14 | 109.3° | 109.5° |
C08 | C09 | H15 | 109.2° | 109.6° |
C08 | C09 | H16 | 109.2° | 109.5° |
C06 | N05 | C04 | 112.8° | 111.0° |
N05 | C06 | H9 | 109.3° | 109.5° |
N05 | C06 | H10 | 109.4° | 109.5° |
C06 | N05 | H20 | 108.6° | 111.0° |
N05 | C04 | C03 | 108.6° | 109.5° |
N05 | C04 | H7 | 109.7° | 109.5° |
N05 | C04 | H8 | 109.7° | 109.5° |
C04 | N05 | H20 | 108.6° | 111.0° |
N01 | C02 | C03 | 112.6° | 109.4° |
N01 | C02 | H3 | 108.7° | 109.5° |
N01 | C02 | H4 | 108.7° | 109.5° |
C02 | N01 | H17 | 109.5° | 111.0° |
C02 | N01 | H18 | 109.5° | 111.0° |
C02 | C03 | C04 | 109.2° | 109.5° |
C03 | C02 | H3 | 108.7° | 109.5° |
C03 | C02 | H4 | 108.7° | 109.5° |
C02 | C03 | H5 | 109.6° | 109.5° |
C02 | C03 | H6 | 109.5° | 109.5° |
C04 | C03 | H5 | 109.5° | 109.4° |
C04 | C03 | H6 | 109.6° | 109.5° |
C03 | C04 | H7 | 109.7° | 109.5° |
C03 | C04 | H8 | 109.7° | 109.4° |
C09 | C10 | B11 | 113.8° | 109.5° |
C09 | C10 | H1 | 108.4° | 109.5° |
C09 | C10 | H2 | 108.4° | 109.5° |
C10 | C09 | H15 | 109.2° | 109.5° |
C10 | C09 | H16 | 109.2° | 109.4° |
C10 | B11 | O12 | 118.6° | 120.0° |
C10 | B11 | O13 | 118.4° | 120.0° |
B11 | C10 | H1 | 108.4° | 109.5° |
B11 | C10 | H2 | 108.4° | 109.5° |
O12 | B11 | O13 | 123.1° | 120.0° |
B11 | O12 | H22 | 109.5° | 114.0° |
B11 | O13 | H19 | 109.5° | 114.0° |
H1 | C10 | H2 | 109.5° | 109.4° |
H3 | C02 | H4 | 109.5° | 109.5° |
H5 | C03 | H6 | 109.4° | 109.4° |
H7 | C04 | H8 | 109.5° | 109.5° |
H9 | C06 | H10 | 109.5° | 109.5° |
H11 | C07 | H12 | 109.5° | 109.4° |
H13 | C08 | H14 | 109.5° | 109.5° |
H15 | C09 | H16 | 109.5° | 109.4° |
H17 | N01 | H18 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C07 | C06 | H11 | 120.1° | 120.0° |
C08 | C07 | C06 | H12 | 120.1° | 120.0° |
C07 | C08 | C09 | H13 | 120.1° | 120.0° |
C07 | C08 | C09 | H14 | 120.1° | 120.0° |
C08 | C07 | C06 | N05 | 121.1° | 180.0° |
C07 | C08 | C09 | C10 | 80.0° | NaN° |
C08 | C07 | C06 | H9 | 1.0° | 60.0° |
C08 | C07 | C06 | H10 | 118.9° | 60.0° |
C08 | C07 | H11 | H12 | 119.7° | 120.0° |
C07 | C08 | H13 | H14 | 119.8° | 120.0° |
C07 | C08 | C09 | H15 | 40.1° | 59.9° |
C07 | C08 | C09 | H16 | 159.8° | 60.0° |
C06 | C07 | C08 | C09 | 39.8° | 180.0° |
C07 | C06 | N05 | H9 | 120.1° | 120.0° |
C07 | C06 | N05 | H10 | 120.1° | 120.0° |
C07 | C06 | N05 | C04 | 169.1° | 180.0° |
C07 | C06 | H9 | H10 | 119.8° | 120.0° |
C06 | C07 | H11 | H12 | 119.7° | 120.0° |
C06 | C07 | C08 | H13 | 80.2° | 60.0° |
C06 | C07 | C08 | H14 | 159.9° | 60.0° |
C07 | C06 | N05 | H20 | 70.4° | 56.0° |
C08 | C09 | C10 | H15 | 120.2° | 120.1° |
C08 | C09 | C10 | H16 | 120.1° | 120.0° |
C08 | C09 | C10 | B11 | 131.4° | 180.0° |
C08 | C09 | C10 | H1 | 10.7° | 60.0° |
C08 | C09 | C10 | H2 | 108.0° | 60.0° |
C09 | C08 | C07 | H11 | 80.2° | 60.0° |
C09 | C08 | C07 | H12 | 160.0° | 60.0° |
C09 | C08 | H13 | H14 | 119.8° | 120.0° |
C08 | C09 | H15 | H16 | 119.6° | 120.0° |
C06 | N05 | C04 | H20 | 120.5° | 124.0° |
C06 | N05 | C04 | C03 | 103.5° | 180.0° |
C06 | N05 | C04 | H7 | 136.6° | 60.0° |
C06 | N05 | C04 | H8 | 16.3° | 60.0° |
N05 | C06 | H9 | H10 | 119.8° | 120.0° |
N05 | C06 | C07 | H11 | 118.8° | 60.0° |
N05 | C06 | C07 | H12 | 1.0° | 60.0° |
N05 | C04 | C03 | C02 | 33.0° | 180.0° |
N05 | C04 | C03 | H7 | 119.9° | 120.1° |
N05 | C04 | C03 | H8 | 119.9° | 120.0° |
N05 | C04 | C03 | H5 | 87.0° | 60.0° |
N05 | C04 | C03 | H6 | 153.0° | 60.0° |
N05 | C04 | H7 | H8 | 120.4° | 120.0° |
C04 | N05 | C06 | H9 | 49.0° | 60.0° |
C04 | N05 | C06 | H10 | 70.8° | 60.0° |
N01 | C02 | C03 | H3 | 120.4° | 120.0° |
N01 | C02 | C03 | H4 | 120.5° | 120.0° |
N01 | C02 | C03 | C04 | 116.0° | 180.0° |
N01 | C02 | H3 | H4 | 118.6° | 120.0° |
N01 | C02 | C03 | H5 | 3.9° | 60.0° |
N01 | C02 | C03 | H6 | 124.0° | 60.0° |
C02 | N01 | H17 | H18 | 120.0° | 123.9° |
C02 | C03 | C04 | H5 | 120.0° | 120.0° |
C02 | C03 | C04 | H6 | 120.0° | 120.0° |
C03 | C02 | H3 | H4 | 118.6° | 120.0° |
C02 | C03 | H5 | H6 | 120.1° | 120.0° |
C02 | C03 | C04 | H7 | 86.9° | 60.0° |
C02 | C03 | C04 | H8 | 152.9° | 60.0° |
C03 | C02 | N01 | H17 | 180.0° | 180.0° |
C03 | C02 | N01 | H18 | 60.0° | 56.1° |
C04 | C03 | C02 | H3 | 123.5° | 60.0° |
C04 | C03 | C02 | H4 | 4.4° | 60.0° |
C04 | C03 | H5 | H6 | 120.1° | 120.0° |
C03 | C04 | H7 | H8 | 120.4° | 119.9° |
C03 | C04 | N05 | H20 | 17.0° | 56.1° |
C09 | C10 | B11 | H1 | 120.6° | 120.0° |
C09 | C10 | B11 | H2 | 120.6° | 120.0° |
C09 | C10 | B11 | O12 | 12.5° | 180.0° |
C09 | C10 | B11 | O13 | 166.8° | 0.0° |
C09 | C10 | H1 | H2 | 118.0° | 120.0° |
C10 | C09 | C08 | H13 | 159.9° | 60.0° |
C10 | C09 | C08 | H14 | 40.0° | 60.0° |
C10 | C09 | H15 | H16 | 119.5° | 119.9° |
C10 | B11 | O12 | O13 | 179.2° | 180.0° |
B11 | C10 | H1 | H2 | 118.0° | 120.0° |
B11 | C10 | C09 | H15 | 108.5° | 59.9° |
B11 | C10 | C09 | H16 | 11.2° | 60.0° |
C10 | B11 | O12 | H22 | 180.0° | 180.0° |
C10 | B11 | O13 | H19 | 180.0° | 180.0° |
O12 | B11 | C10 | H1 | 108.2° | 60.0° |
O12 | B11 | C10 | H2 | 133.1° | 60.0° |
O12 | B11 | O13 | H19 | 0.8° | 0.1° |
O13 | B11 | C10 | H1 | 72.6° | 120.0° |
O13 | B11 | C10 | H2 | 46.2° | 120.0° |
O13 | B11 | O12 | H22 | 0.8° | 0.1° |
H1 | C10 | C09 | H15 | 130.9° | 179.9° |
H1 | C10 | C09 | H16 | 109.4° | 60.0° |
H2 | C10 | C09 | H15 | 12.2° | 60.1° |
H2 | C10 | C09 | H16 | 131.9° | 180.0° |
H3 | C02 | C03 | H5 | 116.5° | 60.0° |
H3 | C02 | C03 | H6 | 3.6° | 180.0° |
H3 | C02 | N01 | H17 | 59.5° | 60.1° |
H3 | C02 | N01 | H18 | 60.4° | 176.1° |
H4 | C02 | C03 | H5 | 124.4° | NaN° |
H4 | C02 | C03 | H6 | 115.5° | 60.0° |
H4 | C02 | N01 | H17 | 59.5° | 60.0° |
H4 | C02 | N01 | H18 | 179.5° | 63.9° |
H5 | C03 | C04 | H7 | 153.1° | 180.0° |
H5 | C03 | C04 | H8 | 32.9° | 60.0° |
H6 | C03 | C04 | H7 | 33.1° | 60.1° |
H6 | C03 | C04 | H8 | 87.2° | 180.0° |
H7 | C04 | N05 | H20 | 102.9° | 64.0° |
H8 | C04 | N05 | H20 | 136.8° | 176.0° |
H9 | C06 | C07 | H11 | 121.1° | 60.0° |
H9 | C06 | C07 | H12 | 119.1° | 180.0° |
H9 | C06 | N05 | H20 | 169.5° | 176.0° |
H10 | C06 | C07 | H11 | 1.2° | 180.0° |
H10 | C06 | C07 | H12 | 121.1° | 60.0° |
H10 | C06 | N05 | H20 | 49.7° | 64.0° |
H11 | C07 | C08 | H13 | 159.7° | 180.0° |
H11 | C07 | C08 | H14 | 39.8° | 60.0° |
H12 | C07 | C08 | H13 | 39.9° | 60.0° |
H12 | C07 | C08 | H14 | 80.0° | 180.0° |
H13 | C08 | C09 | H15 | 80.0° | 60.0° |
H13 | C08 | C09 | H16 | 39.8° | 180.0° |
H14 | C08 | C09 | H15 | 160.2° | 180.0° |
H14 | C08 | C09 | H16 | 80.1° | 60.0° |