8DH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C10 | sing | 1.53Å | 1.49Å | |
C11 | N12 | sing | 1.46Å | 1.48Å | |
C10 | N09 | sing | 1.47Å | 1.44Å | |
N12 | C13 | sing | 1.33Å | 1.45Å | |
C05 | N04 | sing | 1.46Å | 1.45Å | |
C13 | O14 | doub | 1.21Å | 1.18Å | |
C13 | C15 | sing | 1.50Å | 1.55Å | |
N09 | C15 | sing | 1.47Å | 1.42Å | |
N09 | S06 | sing | 1.66Å | 1.68Å | |
O07 | S06 | doub | 1.42Å | 1.44Å | |
S06 | N04 | sing | 1.66Å | 1.69Å | |
S06 | O08 | doub | 1.42Å | 1.46Å | |
N04 | C02 | sing | 1.47Å | 1.48Å | |
C01 | C02 | sing | 1.53Å | 1.52Å | |
C02 | C03 | sing | 1.53Å | 1.53Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
N12 | H3 | sing | 0.97Å | 1.00Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C02 | H9 | sing | 1.09Å | 1.10Å | |
C03 | H10 | sing | 1.09Å | 1.10Å | |
C03 | H11 | sing | 1.09Å | 1.10Å | |
C03 | H12 | sing | 1.09Å | 1.10Å | |
C05 | H13 | sing | 1.09Å | 1.10Å | |
C05 | H14 | sing | 1.09Å | 1.10Å | |
C05 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C11 | N12 | 114.1° | 110.8° |
C11 | C10 | N09 | 108.0° | 108.2° |
C11 | C10 | H1 | 109.9° | 109.7° |
C11 | C10 | H2 | 109.8° | 109.7° |
C10 | C11 | H16 | 108.3° | 109.2° |
C10 | C11 | H17 | 108.3° | 109.2° |
C11 | N12 | C13 | 120.7° | 124.6° |
C11 | N12 | H3 | 119.6° | 117.7° |
N12 | C11 | H16 | 108.3° | 109.2° |
N12 | C11 | H17 | 108.3° | 109.2° |
C10 | N09 | C15 | 113.9° | 117.3° |
C10 | N09 | S06 | 120.9° | 121.3° |
N09 | C10 | H1 | 109.9° | 109.7° |
N09 | C10 | H2 | 109.9° | 109.8° |
N12 | C13 | O14 | 123.8° | 118.5° |
N12 | C13 | C15 | 116.4° | 123.0° |
C13 | N12 | H3 | 119.6° | 117.7° |
C05 | N04 | S06 | 116.7° | 120.0° |
C05 | N04 | C02 | 121.3° | 120.0° |
N04 | C05 | H13 | 109.5° | 109.5° |
N04 | C05 | H14 | 109.5° | 109.5° |
N04 | C05 | H15 | 109.5° | 109.5° |
O14 | C13 | C15 | 119.9° | 118.5° |
C13 | C15 | N09 | 114.5° | 108.9° |
C13 | C15 | H4 | 108.2° | 109.6° |
C13 | C15 | H5 | 108.2° | 109.6° |
C15 | N09 | S06 | 110.9° | 121.4° |
N09 | C15 | H4 | 108.2° | 109.6° |
N09 | C15 | H5 | 108.2° | 109.6° |
N09 | S06 | O07 | 111.8° | 106.4° |
N09 | S06 | N04 | 110.7° | 107.2° |
N09 | S06 | O08 | 105.9° | 106.4° |
O07 | S06 | N04 | 111.0° | 106.4° |
O07 | S06 | O08 | 109.7° | 123.2° |
N04 | S06 | O08 | 107.5° | 106.4° |
S06 | N04 | C02 | 118.9° | 120.0° |
N04 | C02 | C01 | 112.9° | 109.5° |
N04 | C02 | C03 | 109.4° | 109.4° |
N04 | C02 | H9 | 108.3° | 109.5° |
C01 | C02 | C03 | 110.7° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.4° |
C02 | C01 | H8 | 109.5° | 109.4° |
C01 | C02 | H9 | 107.7° | 109.5° |
C03 | C02 | H9 | 107.6° | 109.4° |
C02 | C03 | H10 | 109.5° | 109.4° |
C02 | C03 | H11 | 109.5° | 109.5° |
C02 | C03 | H12 | 109.5° | 109.4° |
H1 | C10 | H2 | 109.4° | 109.7° |
H4 | C15 | H5 | 109.4° | 109.6° |
H6 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H8 | 109.5° | 109.5° |
H7 | C01 | H8 | 109.5° | 109.5° |
H10 | C03 | H11 | 109.5° | 109.5° |
H10 | C03 | H12 | 109.5° | 109.5° |
H11 | C03 | H12 | 109.5° | 109.4° |
H13 | C05 | H14 | 109.5° | 109.5° |
H13 | C05 | H15 | 109.5° | 109.4° |
H14 | C05 | H15 | 109.5° | 109.4° |
H16 | C11 | H17 | 109.5° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C11 | N12 | H16 | 120.7° | 120.3° |
C10 | C11 | N12 | H17 | 120.7° | 120.3° |
C11 | C10 | N09 | H1 | 119.8° | 119.7° |
C11 | C10 | N09 | H2 | 119.8° | 119.7° |
C10 | C11 | N12 | C13 | 17.8° | 21.9° |
C11 | C10 | N09 | C15 | 66.9° | 61.5° |
C11 | C10 | N09 | S06 | 157.1° | 118.5° |
C11 | C10 | H1 | H2 | 120.7° | 120.6° |
C10 | C11 | N12 | H3 | 162.2° | 158.1° |
C10 | C11 | H16 | H17 | 117.9° | 119.4° |
N12 | C11 | C10 | N09 | 51.1° | 46.7° |
C11 | N12 | C13 | H3 | 180.0° | 180.0° |
C11 | N12 | C13 | O14 | 177.5° | 175.7° |
C11 | N12 | C13 | C15 | 3.7° | 4.3° |
N12 | C11 | C10 | H1 | 68.7° | 73.0° |
N12 | C11 | C10 | H2 | 170.8° | 166.4° |
N12 | C11 | H16 | H17 | 117.9° | 119.4° |
C10 | N09 | C15 | C13 | 45.5° | 42.7° |
C10 | N09 | C15 | S06 | 140.3° | 179.9° |
C10 | N09 | S06 | O07 | 42.3° | 23.5° |
C10 | N09 | S06 | N04 | 82.1° | 90.0° |
C10 | N09 | S06 | O08 | 161.7° | 156.4° |
N09 | C10 | H1 | H2 | 120.7° | 120.6° |
C10 | N09 | C15 | H4 | 166.3° | 77.1° |
C10 | N09 | C15 | H5 | 75.3° | 162.6° |
N09 | C10 | C11 | H16 | 69.6° | 167.0° |
N09 | C10 | C11 | H17 | 171.8° | 73.6° |
N12 | C13 | O14 | C15 | 178.8° | 180.0° |
N12 | C13 | C15 | N09 | 9.3° | 12.7° |
N12 | C13 | C15 | H4 | 130.0° | 107.1° |
N12 | C13 | C15 | H5 | 111.5° | 132.6° |
C13 | N12 | C11 | H16 | 102.9° | 142.2° |
C13 | N12 | C11 | H17 | 138.5° | 98.4° |
C05 | N04 | S06 | N09 | 83.2° | 90.0° |
C05 | N04 | S06 | O07 | 41.6° | 23.5° |
C05 | N04 | S06 | C02 | 160.4° | 180.0° |
C05 | N04 | S06 | O08 | 161.6° | 156.4° |
C05 | N04 | C02 | C01 | 53.9° | 60.0° |
C05 | N04 | C02 | C03 | 69.9° | 60.1° |
C05 | N04 | C02 | H9 | 173.0° | 180.0° |
N04 | C05 | H13 | H14 | 120.0° | 120.1° |
N04 | C05 | H13 | H15 | 120.0° | 120.0° |
N04 | C05 | H14 | H15 | 120.0° | 120.1° |
O14 | C13 | C15 | N09 | 169.6° | 167.3° |
O14 | C13 | N12 | H3 | 2.5° | 4.3° |
O14 | C13 | C15 | H4 | 48.9° | 72.9° |
O14 | C13 | C15 | H5 | 69.6° | 47.4° |
C13 | C15 | N09 | H4 | 120.8° | 119.8° |
C13 | C15 | N09 | H5 | 120.8° | 119.8° |
C13 | C15 | N09 | S06 | 174.2° | 137.2° |
C15 | C13 | N12 | H3 | 176.3° | 175.7° |
C13 | C15 | H4 | H5 | 117.7° | 120.3° |
C15 | N09 | S06 | O07 | 179.4° | 156.4° |
C15 | N09 | S06 | N04 | 55.1° | 90.0° |
C15 | N09 | S06 | O08 | 61.1° | 23.5° |
C15 | N09 | C10 | H1 | 52.9° | 58.2° |
C15 | N09 | C10 | H2 | 173.3° | 178.8° |
N09 | C15 | H4 | H5 | 117.7° | 120.3° |
N09 | S06 | O07 | N04 | 124.2° | 114.1° |
N09 | S06 | O07 | O08 | 117.2° | 123.0° |
N09 | S06 | N04 | O08 | 115.2° | 113.5° |
N09 | S06 | N04 | C02 | 116.4° | 90.0° |
S06 | N09 | C10 | H1 | 83.1° | 121.9° |
S06 | N09 | C10 | H2 | 37.4° | 1.3° |
S06 | N09 | C15 | H4 | 53.4° | 103.0° |
S06 | N09 | C15 | H5 | 65.1° | 17.3° |
O07 | S06 | N04 | O08 | 120.0° | 132.9° |
O07 | S06 | N04 | C02 | 118.8° | 156.4° |
S06 | N04 | C02 | C01 | 146.7° | 120.0° |
S06 | N04 | C02 | C03 | 89.6° | 120.0° |
S06 | N04 | C02 | H9 | 27.5° | 0.1° |
S06 | N04 | C05 | H13 | 180.0° | 90.0° |
S06 | N04 | C05 | H14 | 60.0° | 30.0° |
S06 | N04 | C05 | H15 | 60.0° | 150.0° |
O08 | S06 | N04 | C02 | 1.2° | 23.5° |
N04 | C02 | C01 | C03 | 123.0° | 120.0° |
N04 | C02 | C01 | H9 | 119.5° | 120.0° |
N04 | C02 | C03 | H9 | 117.5° | 119.9° |
N04 | C02 | C01 | H6 | 180.0° | 180.0° |
N04 | C02 | C01 | H7 | 60.0° | 60.0° |
N04 | C02 | C01 | H8 | 60.0° | 60.0° |
N04 | C02 | C03 | H10 | 180.0° | 60.1° |
N04 | C02 | C03 | H11 | 60.0° | 60.0° |
N04 | C02 | C03 | H12 | 60.0° | 180.0° |
C02 | N04 | C05 | H13 | 20.1° | 89.9° |
C02 | N04 | C05 | H14 | 140.2° | 150.0° |
C02 | N04 | C05 | H15 | 99.9° | 30.0° |
C01 | C02 | C03 | H9 | 117.5° | 120.0° |
C02 | C01 | H6 | H7 | 120.0° | 119.9° |
C02 | C01 | H6 | H8 | 120.0° | 120.0° |
C02 | C01 | H7 | H8 | 120.0° | 119.9° |
C01 | C02 | C03 | H10 | 55.0° | 60.0° |
C01 | C02 | C03 | H11 | 65.0° | 179.9° |
C01 | C02 | C03 | H12 | 175.0° | 60.0° |
C03 | C02 | C01 | H6 | 57.0° | 60.0° |
C03 | C02 | C01 | H7 | 177.0° | 180.0° |
C03 | C02 | C01 | H8 | 63.0° | 60.0° |
C02 | C03 | H10 | H11 | 120.0° | 120.1° |
C02 | C03 | H10 | H12 | 120.0° | 120.0° |
C02 | C03 | H11 | H12 | 120.0° | 120.0° |
H1 | C10 | C11 | H16 | 170.6° | 47.4° |
H1 | C10 | C11 | H17 | 52.0° | 166.7° |
H2 | C10 | C11 | H16 | 50.2° | 73.2° |
H2 | C10 | C11 | H17 | 68.5° | 46.1° |
H3 | N12 | C11 | H16 | 77.1° | 37.8° |
H3 | N12 | C11 | H17 | 41.5° | 81.6° |
H6 | C01 | H7 | H8 | 120.0° | 120.1° |
H6 | C01 | C02 | H9 | 60.5° | 59.9° |
H7 | C01 | C02 | H9 | 59.5° | 60.0° |
H8 | C01 | C02 | H9 | 179.5° | 180.0° |
H9 | C02 | C03 | H10 | 62.5° | 180.0° |
H9 | C02 | C03 | H11 | 177.5° | 59.9° |
H9 | C02 | C03 | H12 | 57.5° | 60.0° |
H10 | C03 | H11 | H12 | 120.0° | 120.0° |
H13 | C05 | H14 | H15 | 120.0° | 119.9° |