3S5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | S07 | doub | 1.42Å | 1.51Å | |
O09 | S07 | doub | 1.42Å | 1.53Å | |
O08 | S07 | sing | 1.52Å | 1.52Å | |
S07 | C06 | sing | 1.81Å | 1.76Å | |
C06 | C05 | sing | 1.53Å | 1.53Å | |
C05 | N04 | sing | 1.47Å | 1.44Å | |
N03 | C02 | doub | 1.30Å | 1.30Å | |
N04 | C02 | sing | 1.37Å | 1.37Å | |
C02 | N01 | sing | 1.38Å | 1.31Å | |
N01 | H1 | sing | 0.97Å | 1.00Å | |
N01 | H2 | sing | 0.97Å | 1.00Å | |
N03 | H3 | sing | 0.97Å | 1.00Å | |
N04 | H4 | sing | 0.97Å | 1.00Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
O08 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | S07 | O09 | 108.1° | 121.0° |
O10 | S07 | O08 | 110.4° | 104.3° |
O10 | S07 | C06 | 105.5° | 110.5° |
O09 | S07 | O08 | 109.9° | 104.3° |
O09 | S07 | C06 | 111.8° | 110.5° |
O08 | S07 | C06 | 111.1° | 104.5° |
S07 | O08 | H9 | 109.5° | 114.0° |
S07 | C06 | C05 | 112.2° | 109.5° |
S07 | C06 | H7 | 108.8° | 109.5° |
S07 | C06 | H8 | 108.8° | 109.4° |
C06 | C05 | N04 | 109.3° | 109.5° |
C06 | C05 | H5 | 109.5° | 109.5° |
C06 | C05 | H6 | 109.5° | 109.5° |
C05 | C06 | H7 | 108.8° | 109.5° |
C05 | C06 | H8 | 108.8° | 109.5° |
C05 | N04 | C02 | 118.4° | 120.1° |
C05 | N04 | H4 | 120.8° | 119.9° |
N04 | C05 | H5 | 109.5° | 109.4° |
N04 | C05 | H6 | 109.5° | 109.5° |
N03 | C02 | N04 | 120.0° | 120.0° |
N03 | C02 | N01 | 119.6° | 120.0° |
C02 | N03 | H3 | 112.0° | 120.0° |
N04 | C02 | N01 | 120.4° | 120.0° |
C02 | N04 | H4 | 120.8° | 120.0° |
C02 | N01 | H1 | 120.0° | 120.0° |
C02 | N01 | H2 | 120.0° | 120.0° |
H1 | N01 | H2 | 120.0° | 120.1° |
H5 | C05 | H6 | 109.5° | 109.4° |
H7 | C06 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | S07 | O09 | O08 | 120.5° | 116.8° |
O10 | S07 | O09 | C06 | 115.7° | 131.5° |
O10 | S07 | O08 | C06 | 116.7° | 116.1° |
O10 | S07 | C06 | C05 | 155.8° | 68.4° |
O10 | S07 | C06 | H7 | 35.4° | 51.7° |
O10 | S07 | C06 | H8 | 83.8° | 171.7° |
O10 | S07 | O08 | H9 | 0.0° | 64.0° |
O09 | S07 | O08 | C06 | 124.2° | 116.1° |
O09 | S07 | C06 | C05 | 86.9° | 68.3° |
O09 | S07 | C06 | H7 | 152.7° | 171.6° |
O09 | S07 | C06 | H8 | 33.5° | 51.6° |
O09 | S07 | O08 | H9 | 119.1° | 63.9° |
O08 | S07 | C06 | C05 | 36.2° | 180.0° |
O08 | S07 | C06 | H7 | 84.2° | 60.0° |
O08 | S07 | C06 | H8 | 156.6° | 60.0° |
S07 | C06 | C05 | H7 | 120.4° | 120.0° |
S07 | C06 | C05 | H8 | 120.4° | 120.0° |
S07 | C06 | C05 | N04 | 153.9° | 180.0° |
S07 | C06 | C05 | H5 | 86.1° | 60.0° |
S07 | C06 | C05 | H6 | 34.0° | 60.0° |
S07 | C06 | H7 | H8 | 118.8° | 120.0° |
C06 | S07 | O08 | H9 | 116.7° | 180.0° |
C06 | C05 | N04 | H5 | 120.0° | 120.0° |
C06 | C05 | N04 | H6 | 120.0° | 120.0° |
C06 | C05 | N04 | C02 | 110.3° | 180.0° |
C06 | C05 | N04 | H4 | 69.7° | 0.0° |
C06 | C05 | H5 | H6 | 120.1° | 120.0° |
C05 | C06 | H7 | H8 | 118.8° | 120.0° |
C05 | N04 | C02 | N03 | 0.1° | 0.0° |
C05 | N04 | C02 | H4 | 180.0° | 180.0° |
C05 | N04 | C02 | N01 | 180.0° | 180.0° |
N04 | C05 | H5 | H6 | 120.1° | 119.9° |
N04 | C05 | C06 | H7 | 33.6° | 60.0° |
N04 | C05 | C06 | H8 | 85.7° | 60.0° |
N03 | C02 | N04 | N01 | 179.9° | 180.0° |
N03 | C02 | N01 | H1 | 179.9° | 0.0° |
N03 | C02 | N01 | H2 | 0.1° | 179.8° |
N03 | C02 | N04 | H4 | 180.0° | 180.0° |
N04 | C02 | N01 | H1 | 0.0° | 180.0° |
N04 | C02 | N01 | H2 | 180.0° | 0.2° |
N04 | C02 | N03 | H3 | 179.9° | 180.0° |
C02 | N04 | C05 | H5 | 129.8° | 60.0° |
C02 | N04 | C05 | H6 | 9.7° | 60.0° |
C02 | N01 | H1 | H2 | 180.0° | 179.8° |
N01 | C02 | N03 | H3 | 0.0° | 0.0° |
N01 | C02 | N04 | H4 | 0.1° | 0.0° |
H4 | N04 | C05 | H5 | 50.2° | 120.1° |
H4 | N04 | C05 | H6 | 170.3° | 120.0° |
H5 | C05 | C06 | H7 | 153.5° | 180.0° |
H5 | C05 | C06 | H8 | 34.3° | 60.0° |
H6 | C05 | C06 | H7 | 86.4° | 60.0° |
H6 | C05 | C06 | H8 | 154.3° | 180.0° |