7RC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O04 | P01 | doub | 1.48Å | 1.49Å | |
O02 | P01 | sing | 1.61Å | 1.61Å | |
P01 | O03 | sing | 1.61Å | 1.61Å | |
P01 | C07 | sing | 1.82Å | 1.81Å | |
C07 | C06 | sing | 1.53Å | 1.52Å | |
C06 | C04 | sing | 1.53Å | 1.53Å | |
C03 | N01 | sing | 1.47Å | 1.47Å | |
C03 | C05 | sing | 1.53Å | 1.53Å | |
C04 | N01 | sing | 1.47Å | 1.46Å | |
N01 | C02 | sing | 1.47Å | 1.47Å | |
C05 | N02 | sing | 1.47Å | 1.46Å | |
C02 | C01 | sing | 1.53Å | 1.53Å | |
N02 | C01 | sing | 1.47Å | 1.46Å | |
C01 | C08 | sing | 1.51Å | 1.50Å | |
C08 | O05 | doub | 1.21Å | 1.22Å | |
C08 | O01 | sing | 1.34Å | 1.36Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
O01 | H2 | sing | 0.97Å | 0.95Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C02 | H023 | sing | 1.09Å | 1.10Å | |
N02 | H3 | sing | 1.01Å | 1.00Å | |
O02 | H4 | sing | 0.97Å | 0.95Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
O03 | H5 | sing | 0.97Å | 0.95Å | |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O04 | P01 | O02 | 116.2° | 109.5° |
O04 | P01 | O03 | 116.2° | 109.4° |
O04 | P01 | C07 | 113.6° | 109.5° |
O02 | P01 | O03 | 104.0° | 109.5° |
O02 | P01 | C07 | 102.5° | 109.5° |
P01 | O02 | H4 | 109.5° | 114.0° |
O03 | P01 | C07 | 102.4° | 109.5° |
P01 | O03 | H5 | 109.5° | 114.0° |
P01 | C07 | C06 | 113.8° | 109.5° |
P01 | C07 | H072 | 108.4° | 109.4° |
P01 | C07 | H071 | 108.4° | 109.5° |
C07 | C06 | C04 | 112.1° | 109.5° |
C07 | C06 | H062 | 108.8° | 109.5° |
C07 | C06 | H061 | 108.8° | 109.5° |
C06 | C07 | H072 | 108.4° | 109.5° |
C06 | C07 | H071 | 108.4° | 109.5° |
C06 | C04 | N01 | 110.3° | 109.5° |
C06 | C04 | H042 | 109.3° | 109.5° |
C06 | C04 | H041 | 109.3° | 109.4° |
C04 | C06 | H062 | 108.8° | 109.5° |
C04 | C06 | H061 | 108.8° | 109.4° |
N01 | C03 | C05 | 110.7° | 109.3° |
C03 | N01 | C04 | 110.8° | 110.9° |
C03 | N01 | C02 | 110.4° | 110.9° |
N01 | C03 | H031 | 109.2° | 109.5° |
N01 | C03 | H032 | 109.2° | 109.5° |
C03 | C05 | N02 | 111.5° | 109.4° |
C05 | C03 | H031 | 109.2° | 109.5° |
C05 | C03 | H032 | 109.2° | 109.5° |
C03 | C05 | H051 | 109.0° | 109.5° |
C03 | C05 | H052 | 109.0° | 109.5° |
C04 | N01 | C02 | 110.8° | 111.0° |
N01 | C04 | H042 | 109.3° | 109.4° |
N01 | C04 | H041 | 109.3° | 109.5° |
N01 | C02 | C01 | 110.4° | 109.4° |
N01 | C02 | H022 | 109.2° | 109.5° |
N01 | C02 | H023 | 109.2° | 109.5° |
C05 | N02 | C01 | 110.5° | 110.8° |
C05 | N02 | H3 | 109.2° | 111.0° |
N02 | C05 | H051 | 108.9° | 109.5° |
N02 | C05 | H052 | 109.0° | 109.5° |
C02 | C01 | N02 | 111.5° | 109.4° |
C02 | C01 | C08 | 110.1° | 109.5° |
C02 | C01 | H011 | 109.2° | 109.5° |
C01 | C02 | H022 | 109.2° | 109.5° |
C01 | C02 | H023 | 109.2° | 109.5° |
N02 | C01 | C08 | 106.3° | 109.5° |
N02 | C01 | H011 | 110.1° | 109.4° |
C01 | N02 | H3 | 109.2° | 111.0° |
C01 | C08 | O05 | 125.2° | 120.1° |
C01 | C08 | O01 | 110.6° | 120.0° |
C08 | C01 | H011 | 109.7° | 109.5° |
O05 | C08 | O01 | 124.2° | 120.0° |
C08 | O01 | H2 | 109.5° | 117.0° |
H022 | C02 | H023 | 109.5° | 109.5° |
H031 | C03 | H032 | 109.4° | 109.5° |
H042 | C04 | H041 | 109.5° | 109.5° |
H051 | C05 | H052 | 109.5° | 109.5° |
H062 | C06 | H061 | 109.5° | 109.5° |
H072 | C07 | H071 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O04 | P01 | O02 | O03 | 129.1° | 120.0° |
O04 | P01 | O02 | C07 | 124.5° | 120.0° |
O04 | P01 | O03 | C07 | 124.5° | 120.0° |
O04 | P01 | C07 | C06 | 59.9° | 55.0° |
O04 | P01 | O02 | H4 | 0.0° | 180.0° |
O04 | P01 | O03 | H5 | 0.0° | 60.0° |
O04 | P01 | C07 | H072 | 60.7° | 175.0° |
O04 | P01 | C07 | H071 | 179.4° | 65.0° |
O02 | P01 | O03 | C07 | 106.5° | 120.0° |
O02 | P01 | C07 | C06 | 173.9° | 65.0° |
O02 | P01 | O03 | H5 | 129.0° | 60.0° |
O02 | P01 | C07 | H072 | 65.5° | 55.0° |
O02 | P01 | C07 | H071 | 53.2° | 175.0° |
O03 | P01 | C07 | C06 | 66.2° | 175.0° |
O03 | P01 | O02 | H4 | 129.1° | 60.0° |
O03 | P01 | C07 | H072 | 173.1° | 65.0° |
O03 | P01 | C07 | H071 | 54.4° | 55.0° |
P01 | C07 | C06 | H072 | 120.6° | 120.0° |
P01 | C07 | C06 | H071 | 120.7° | 120.0° |
P01 | C07 | C06 | C04 | 179.7° | 180.0° |
C07 | P01 | O02 | H4 | 124.5° | 60.0° |
C07 | P01 | O03 | H5 | 124.5° | 180.0° |
P01 | C07 | C06 | H062 | 59.9° | 60.0° |
P01 | C07 | C06 | H061 | 59.3° | 60.0° |
P01 | C07 | H072 | H071 | 118.0° | 120.0° |
C07 | C06 | C04 | H062 | 120.4° | 120.0° |
C07 | C06 | C04 | H061 | 120.4° | 120.0° |
C07 | C06 | C04 | N01 | 179.7° | 179.9° |
C07 | C06 | C04 | H042 | 60.2° | 60.0° |
C07 | C06 | C04 | H041 | 59.6° | 60.0° |
C07 | C06 | H062 | H061 | 118.8° | 120.0° |
C06 | C07 | H072 | H071 | 118.0° | 120.0° |
C06 | C04 | N01 | C03 | 60.9° | 66.2° |
C06 | C04 | N01 | H042 | 120.1° | 120.0° |
C06 | C04 | N01 | H041 | 120.1° | 120.0° |
C06 | C04 | N01 | C02 | 176.2° | 170.1° |
C06 | C04 | H042 | H041 | 119.6° | 120.0° |
C04 | C06 | H062 | H061 | 118.8° | 120.0° |
C04 | C06 | C07 | H072 | 59.1° | 60.0° |
C04 | C06 | C07 | H071 | 59.6° | 60.0° |
N01 | C03 | C05 | H031 | 120.2° | 119.9° |
N01 | C03 | C05 | H032 | 120.2° | 120.0° |
C03 | N01 | C04 | C02 | 122.9° | 123.7° |
N01 | C03 | C05 | N02 | 56.5° | 58.5° |
C03 | N01 | C02 | C01 | 56.9° | 59.4° |
C03 | N01 | C02 | H022 | 63.3° | 179.3° |
C03 | N01 | C02 | H023 | 177.1° | 60.6° |
N01 | C03 | H031 | H032 | 119.4° | 120.1° |
C03 | N01 | C04 | H042 | 59.2° | 173.8° |
C03 | N01 | C04 | H041 | 179.0° | 53.8° |
N01 | C03 | C05 | H051 | 63.7° | 178.4° |
N01 | C03 | C05 | H052 | 176.8° | 61.6° |
C05 | C03 | N01 | C04 | 180.0° | 176.8° |
C05 | C03 | N01 | C02 | 56.9° | 59.4° |
C03 | C05 | N02 | H051 | 120.3° | 119.9° |
C03 | C05 | N02 | H052 | 120.3° | 120.0° |
C03 | C05 | N02 | C01 | 55.6° | 59.3° |
C03 | C05 | N02 | H3 | 175.8° | 176.8° |
C05 | C03 | H031 | H032 | 119.5° | 120.1° |
C03 | C05 | H051 | H052 | 119.1° | 120.1° |
C04 | N01 | C02 | C01 | 180.0° | 176.8° |
C04 | N01 | C02 | H022 | 59.9° | 56.9° |
C04 | N01 | C02 | H023 | 59.8° | 63.2° |
C04 | N01 | C03 | H031 | 59.8° | 56.9° |
C04 | N01 | C03 | H032 | 59.8° | 63.2° |
N01 | C04 | H042 | H041 | 119.6° | 120.0° |
N01 | C04 | C06 | H062 | 59.3° | 60.0° |
N01 | C04 | C06 | H061 | 59.9° | 60.0° |
N01 | C02 | C01 | H022 | 120.1° | 119.9° |
N01 | C02 | C01 | H023 | 120.2° | 120.0° |
N01 | C02 | C01 | N02 | 56.7° | 58.4° |
N01 | C02 | C01 | C08 | 174.4° | 178.4° |
N01 | C02 | C01 | H011 | 65.2° | 61.5° |
N01 | C02 | H022 | H023 | 119.5° | 120.1° |
C02 | N01 | C03 | H031 | 177.1° | 179.3° |
C02 | N01 | C03 | H032 | 63.3° | 60.6° |
C02 | N01 | C04 | H042 | 63.7° | 50.0° |
C02 | N01 | C04 | H041 | 56.1° | 69.9° |
C05 | N02 | C01 | C02 | 55.8° | 59.3° |
C05 | N02 | C01 | H3 | 120.2° | 123.9° |
C05 | N02 | C01 | C08 | 175.8° | 179.3° |
C05 | N02 | C01 | H011 | 65.5° | 60.7° |
N02 | C05 | C03 | H031 | 176.7° | 178.4° |
N02 | C05 | C03 | H032 | 63.7° | 61.5° |
N02 | C05 | H051 | H052 | 119.1° | 120.1° |
C02 | C01 | N02 | C08 | 120.0° | 120.0° |
C02 | C01 | N02 | H011 | 121.4° | 120.0° |
C02 | C01 | C08 | H011 | 120.1° | 120.1° |
C02 | C01 | C08 | O05 | 119.3° | 99.9° |
C02 | C01 | C08 | O01 | 60.8° | 80.1° |
C01 | C02 | H022 | H023 | 119.6° | 120.0° |
C02 | C01 | N02 | H3 | 176.0° | 176.9° |
N02 | C01 | C08 | H011 | 119.0° | 119.9° |
N02 | C01 | C08 | O05 | 1.6° | 20.0° |
N02 | C01 | C08 | O01 | 178.3° | 160.0° |
N02 | C01 | C02 | H022 | 63.4° | 178.3° |
N02 | C01 | C02 | H023 | 176.9° | 61.6° |
C01 | N02 | C05 | H051 | 64.7° | 179.2° |
C01 | N02 | C05 | H052 | 175.9° | 60.7° |
C01 | C08 | O05 | O01 | 179.9° | 180.0° |
C01 | C08 | O01 | H2 | 179.9° | 179.9° |
C08 | C01 | C02 | H022 | 54.3° | 61.7° |
C08 | C01 | C02 | H023 | 65.4° | 58.4° |
C08 | C01 | N02 | H3 | 64.0° | 56.8° |
O05 | C08 | C01 | H011 | 120.6° | 139.9° |
O05 | C08 | O01 | H2 | 0.0° | 0.1° |
O01 | C08 | C01 | H011 | 59.3° | 40.0° |
H011 | C01 | C02 | H022 | 174.7° | 58.4° |
H011 | C01 | C02 | H023 | 55.0° | 178.5° |
H011 | C01 | N02 | H3 | 54.6° | 63.1° |
H3 | N02 | C05 | H051 | 55.5° | 56.9° |
H3 | N02 | C05 | H052 | 63.9° | 63.2° |
H031 | C03 | C05 | H051 | 56.5° | 61.7° |
H031 | C03 | C05 | H052 | 63.0° | 58.4° |
H032 | C03 | C05 | H051 | 176.1° | 58.4° |
H032 | C03 | C05 | H052 | 56.6° | 178.4° |
H042 | C04 | C06 | H062 | 179.4° | 180.0° |
H042 | C04 | C06 | H061 | 60.2° | 60.0° |
H041 | C04 | C06 | H062 | 60.8° | 60.0° |
H041 | C04 | C06 | H061 | 180.0° | 180.0° |
H062 | C06 | C07 | H072 | 179.5° | 60.0° |
H062 | C06 | C07 | H071 | 60.8° | 180.0° |
H061 | C06 | C07 | H072 | 61.3° | 180.0° |
H061 | C06 | C07 | H071 | 180.0° | 60.0° |