9BZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C12 | sing | 1.53Å | 1.54Å | |
C15 | C12 | sing | 1.53Å | 1.54Å | |
C12 | S13 | sing | 1.84Å | 1.78Å | |
C12 | C08 | sing | 1.55Å | 1.53Å | |
O11 | C09 | doub | 1.21Å | 1.25Å | |
S13 | C06 | sing | 1.84Å | 1.75Å | |
C08 | C09 | sing | 1.51Å | 1.51Å | |
C08 | N07 | sing | 1.46Å | 1.47Å | |
C09 | O10 | sing | 1.34Å | 1.25Å | |
N07 | C06 | sing | 1.48Å | 1.45Å | |
N07 | C03 | sing | 1.48Å | 1.42Å | |
C06 | C05 | sing | 1.55Å | 1.54Å | |
C05 | S04 | sing | 1.84Å | 1.75Å | |
C03 | S04 | sing | 1.83Å | 1.76Å | |
C03 | C02 | sing | 1.53Å | 1.54Å | |
C02 | S01 | sing | 1.81Å | 1.78Å | |
O10 | H1 | sing | 0.97Å | 0.95Å | |
C08 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C02 | H6 | sing | 1.09Å | 1.10Å | |
S01 | H7 | sing | 1.34Å | 1.30Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C15 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C12 | C15 | 111.1° | 111.0° |
C14 | C12 | S13 | 113.4° | 111.1° |
C14 | C12 | C08 | 106.0° | 111.1° |
C12 | C14 | H14 | 109.5° | 109.5° |
C12 | C14 | H15 | 109.5° | 109.5° |
C12 | C14 | H16 | 109.5° | 109.5° |
C15 | C12 | S13 | 109.2° | 111.1° |
C15 | C12 | C08 | 110.8° | 111.0° |
C12 | C15 | H11 | 109.5° | 109.5° |
C12 | C15 | H12 | 109.5° | 109.5° |
C12 | C15 | H13 | 109.4° | 109.4° |
S13 | C12 | C08 | 106.1° | 101.2° |
C12 | S13 | C06 | 100.5° | 94.2° |
C12 | C08 | C09 | 112.0° | 108.8° |
C12 | C08 | N07 | 107.2° | 113.0° |
C12 | C08 | H2 | 106.3° | 108.7° |
O11 | C09 | C08 | 116.6° | 120.0° |
O11 | C09 | O10 | 122.2° | 120.0° |
S13 | C06 | N07 | 101.3° | 103.6° |
S13 | C06 | C05 | 115.4° | 108.3° |
S13 | C06 | H10 | 109.3° | 112.3° |
C09 | C08 | N07 | 117.3° | 108.8° |
C08 | C09 | O10 | 121.2° | 120.0° |
C09 | C08 | H2 | 106.5° | 108.7° |
C08 | N07 | C06 | 122.5° | 115.2° |
C08 | N07 | C03 | 120.9° | 110.2° |
N07 | C08 | H2 | 106.9° | 108.8° |
C09 | O10 | H1 | 109.5° | 117.1° |
C06 | N07 | C03 | 116.4° | 113.9° |
N07 | C06 | C05 | 104.6° | 109.1° |
N07 | C06 | H10 | 113.6° | 111.7° |
N07 | C03 | S04 | 101.0° | 105.2° |
N07 | C03 | C02 | 99.7° | 110.2° |
N07 | C03 | H4 | 115.1° | 110.3° |
C06 | C05 | S04 | 104.4° | 99.5° |
C06 | C05 | H8 | 110.7° | 111.4° |
C06 | C05 | H9 | 110.7° | 111.5° |
C05 | C06 | H10 | 112.2° | 111.5° |
C05 | S04 | C03 | 99.3° | 94.9° |
S04 | C05 | H8 | 110.7° | 111.4° |
S04 | C05 | H9 | 110.7° | 111.4° |
S04 | C03 | C02 | 117.2° | 110.3° |
S04 | C03 | H4 | 110.0° | 110.3° |
C03 | C02 | S01 | 110.3° | 109.5° |
C02 | C03 | H4 | 113.0° | 110.3° |
C03 | C02 | H5 | 109.3° | 109.4° |
C03 | C02 | H6 | 109.3° | 109.5° |
S01 | C02 | H5 | 109.2° | 109.5° |
S01 | C02 | H6 | 109.2° | 109.5° |
C02 | S01 | H7 | 102.0° | 103.0° |
H5 | C02 | H6 | 109.5° | 109.5° |
H8 | C05 | H9 | 109.5° | 111.1° |
H11 | C15 | H12 | 109.5° | 109.5° |
H11 | C15 | H13 | 109.5° | 109.5° |
H12 | C15 | H13 | 109.5° | 109.4° |
H14 | C14 | H15 | 109.5° | 109.5° |
H14 | C14 | H16 | 109.5° | 109.5° |
H15 | C14 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C12 | C15 | S13 | 125.8° | 124.1° |
C14 | C12 | C15 | C08 | 117.6° | 124.1° |
C14 | C12 | S13 | C08 | 116.0° | 118.0° |
C14 | C12 | S13 | C06 | 129.6° | 85.7° |
C14 | C12 | C08 | C09 | 101.3° | 147.1° |
C14 | C12 | C08 | N07 | 128.7° | 91.9° |
C14 | C12 | C08 | H2 | 14.6° | 28.8° |
C14 | C12 | C15 | H11 | 180.0° | 177.4° |
C14 | C12 | C15 | H12 | 60.0° | 57.3° |
C14 | C12 | C15 | H13 | 60.0° | 62.6° |
C12 | C14 | H14 | H15 | 120.0° | 120.0° |
C12 | C14 | H14 | H16 | 120.0° | 120.0° |
C12 | C14 | H15 | H16 | 120.0° | 120.0° |
C15 | C12 | S13 | C08 | 119.5° | 117.9° |
C15 | C12 | S13 | C06 | 105.9° | 150.3° |
C15 | C12 | C08 | C09 | 19.3° | 23.1° |
C15 | C12 | C08 | N07 | 110.6° | 144.0° |
C15 | C12 | C08 | H2 | 135.3° | 95.2° |
C12 | C15 | H11 | H12 | 120.0° | 120.1° |
C12 | C15 | H11 | H13 | 120.0° | 119.9° |
C12 | C15 | H12 | H13 | 120.0° | 119.9° |
C15 | C12 | C14 | H14 | 180.0° | 72.3° |
C15 | C12 | C14 | H15 | 60.0° | 47.7° |
C15 | C12 | C14 | H16 | 60.0° | 167.7° |
S13 | C12 | C08 | C09 | 137.8° | 94.9° |
S13 | C12 | C08 | N07 | 7.9° | 26.1° |
C12 | S13 | C06 | N07 | 14.3° | 30.9° |
C12 | S13 | C06 | C05 | 126.6° | 84.9° |
S13 | C12 | C08 | H2 | 106.2° | 146.9° |
C12 | S13 | C06 | H10 | 105.9° | 151.5° |
S13 | C12 | C15 | H11 | 54.2° | 58.5° |
S13 | C12 | C15 | H12 | 174.2° | 178.6° |
S13 | C12 | C15 | H13 | 65.8° | 61.5° |
S13 | C12 | C14 | H14 | 56.5° | 51.8° |
S13 | C12 | C14 | H15 | 63.5° | 171.8° |
S13 | C12 | C14 | H16 | 176.5° | 68.2° |
C12 | C08 | C09 | O11 | 90.9° | 104.9° |
C08 | C12 | S13 | C06 | 13.7° | 32.3° |
C12 | C08 | C09 | N07 | 124.5° | 123.5° |
C12 | C08 | C09 | H2 | 115.8° | 118.2° |
C12 | C08 | N07 | H2 | 113.7° | 120.7° |
C12 | C08 | C09 | O10 | 88.9° | 75.4° |
C12 | C08 | N07 | C06 | 3.0° | 4.4° |
C12 | C08 | N07 | C03 | 171.8° | 126.2° |
C08 | C12 | C15 | H11 | 62.4° | 53.3° |
C08 | C12 | C15 | H12 | 57.6° | 66.8° |
C08 | C12 | C15 | H13 | 177.6° | 173.3° |
C08 | C12 | C14 | H14 | 59.5° | 163.6° |
C08 | C12 | C14 | H15 | 179.5° | 76.4° |
C08 | C12 | C14 | H16 | 60.5° | 43.6° |
O11 | C09 | C08 | O10 | 179.7° | 179.7° |
O11 | C09 | C08 | N07 | 144.6° | 18.6° |
O11 | C09 | O10 | H1 | 0.0° | 0.0° |
O11 | C09 | C08 | H2 | 25.0° | 136.9° |
S13 | C06 | N07 | C08 | 12.1° | 19.9° |
S13 | C06 | N07 | C05 | 120.2° | 115.2° |
S13 | C06 | N07 | H10 | 117.1° | 121.0° |
S13 | C06 | N07 | C03 | 162.9° | 148.7° |
S13 | C06 | C05 | H10 | 126.1° | 124.1° |
S13 | C06 | C05 | S04 | 136.7° | 154.3° |
S13 | C06 | C05 | H8 | 104.1° | 36.8° |
S13 | C06 | C05 | H9 | 17.5° | 88.1° |
C09 | C08 | N07 | H2 | 119.4° | 118.3° |
C09 | C08 | N07 | C06 | 123.9° | 116.5° |
C09 | C08 | N07 | C03 | 61.3° | 112.9° |
C08 | C09 | O10 | H1 | 179.7° | 179.7° |
N07 | C08 | C09 | O10 | 35.7° | 161.1° |
C08 | N07 | C06 | C03 | 175.0° | 128.8° |
C08 | N07 | C06 | C05 | 132.4° | 95.3° |
C08 | N07 | C03 | S04 | 139.7° | 125.0° |
C08 | N07 | C03 | C02 | 99.9° | 116.0° |
C08 | N07 | C03 | H4 | 21.3° | 6.1° |
C08 | N07 | C06 | H10 | 104.9° | 140.9° |
O10 | C09 | C08 | H2 | 155.3° | 42.8° |
N07 | C06 | C05 | H10 | 123.6° | 123.8° |
N07 | C06 | C05 | S04 | 26.3° | 42.2° |
C06 | N07 | C03 | S04 | 35.4° | 6.2° |
C06 | N07 | C03 | C02 | 85.0° | 112.7° |
C06 | N07 | C08 | H2 | 116.7° | 125.2° |
C06 | N07 | C03 | H4 | 153.8° | 125.2° |
N07 | C06 | C05 | H8 | 145.5° | 75.3° |
N07 | C06 | C05 | H9 | 92.8° | 159.9° |
C03 | N07 | C06 | C05 | 42.6° | 33.5° |
N07 | C03 | S04 | C05 | 13.9° | 17.5° |
N07 | C03 | S04 | C02 | 107.1° | 118.9° |
N07 | C03 | S04 | H4 | 122.0° | 118.9° |
N07 | C03 | C02 | H4 | 122.7° | 122.0° |
N07 | C03 | C02 | S01 | 146.3° | 60.1° |
C03 | N07 | C08 | H2 | 58.1° | 5.5° |
N07 | C03 | C02 | H5 | 93.6° | 180.0° |
N07 | C03 | C02 | H6 | 26.2° | 60.0° |
C03 | N07 | C06 | H10 | 80.1° | 90.3° |
C06 | C05 | S04 | H8 | 119.2° | 117.6° |
C06 | C05 | S04 | H9 | 119.2° | 117.7° |
C06 | C05 | S04 | C03 | 7.5° | 33.7° |
C06 | C05 | H8 | H9 | 122.4° | 125.0° |
C05 | S04 | C03 | C02 | 93.2° | 136.4° |
C05 | S04 | C03 | H4 | 135.9° | 101.4° |
S04 | C05 | H8 | H9 | 122.3° | 124.8° |
S04 | C05 | C06 | H10 | 97.2° | 81.6° |
S04 | C03 | C02 | H4 | 129.5° | 122.1° |
S04 | C03 | C02 | S01 | 38.5° | 55.7° |
S04 | C03 | C02 | H5 | 158.6° | 64.2° |
S04 | C03 | C02 | H6 | 81.7° | 175.8° |
C03 | S04 | C05 | H8 | 126.7° | 83.9° |
C03 | S04 | C05 | H9 | 111.7° | 151.4° |
C03 | C02 | S01 | H5 | 120.1° | 119.9° |
C03 | C02 | S01 | H6 | 120.1° | 120.0° |
C03 | C02 | H5 | H6 | 119.7° | 120.0° |
C03 | C02 | S01 | H7 | 180.0° | 180.0° |
S01 | C02 | C03 | H4 | 91.1° | 177.9° |
S01 | C02 | H5 | H6 | 119.6° | 120.1° |
H4 | C03 | C02 | H5 | 29.1° | 57.9° |
H4 | C03 | C02 | H6 | 148.8° | 62.1° |
H5 | C02 | S01 | H7 | 59.8° | 60.1° |
H6 | C02 | S01 | H7 | 59.9° | 60.0° |
H8 | C05 | C06 | H10 | 22.0° | 160.8° |
H9 | C05 | C06 | H10 | 143.6° | 36.0° |
H11 | C15 | H12 | H13 | 120.0° | 120.0° |
H14 | C14 | H15 | H16 | 120.0° | 120.0° |