T0N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | doub | 1.22Å | 1.23Å | |
C4 | N3 | sing | 1.35Å | 1.38Å | |
C4 | C5 | sing | 1.42Å | 1.46Å | |
C7 | C5 | sing | 1.51Å | 1.52Å | |
N3 | C2 | sing | 1.35Å | 1.37Å | |
C5 | C6 | doub | 1.35Å | 1.36Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N1 | sing | 1.34Å | 1.40Å | |
C6 | N1 | sing | 1.37Å | 1.38Å | |
N1 | C1' | sing | 1.47Å | 1.49Å | |
C1' | O4' | sing | 1.44Å | 1.41Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
O4' | C4' | sing | 1.44Å | 1.42Å | |
OP1 | P | doub | 1.48Å | 1.48Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
O5' | P | sing | 1.61Å | 1.61Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
P | NP | sing | 1.68Å | 1.58Å | |
C4' | C5' | sing | 1.53Å | 1.54Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C33 | NC2 | sing | 1.47Å | 1.48Å | |
NP | CN | sing | 1.47Å | 1.38Å | |
NC2 | CN | sing | 1.48Å | 1.41Å | |
NC2 | C34 | sing | 1.49Å | 1.47Å | |
CN | NC1 | sing | 1.48Å | 1.40Å | |
C34 | C31 | sing | 1.55Å | 1.53Å | |
NC1 | C31 | sing | 1.48Å | 1.47Å | |
NC1 | C32 | sing | 1.47Å | 1.48Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C7 | H73 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
CN | H5 | sing | 1.09Å | 1.10Å | |
C31 | H12 | sing | 1.09Å | 1.10Å | |
C31 | H11 | sing | 1.09Å | 1.10Å | |
C32 | H23 | sing | 1.09Å | 1.10Å | |
C32 | H21 | sing | 1.09Å | 1.10Å | |
C32 | H22 | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H31 | sing | 1.09Å | 1.10Å | |
C33 | H32 | sing | 1.09Å | 1.10Å | |
C34 | H42 | sing | 1.09Å | 1.10Å | |
C34 | H41 | sing | 1.09Å | 1.10Å | |
P | OP3 | sing | 1.61Å | 15.21Å | |
OP3 | HOP3 | sing | 0.97Å | 0.00Å | |
NP | HNP | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | N3 | 118.5° | 120.3° |
O4 | C4 | C5 | 126.5° | 120.3° |
N3 | C4 | C5 | 114.9° | 119.4° |
C4 | N3 | C2 | 125.8° | 120.2° |
C4 | N3 | H3 | 117.1° | 119.9° |
C4 | C5 | C7 | 120.2° | 120.5° |
C4 | C5 | C6 | 120.4° | 119.1° |
C7 | C5 | C6 | 119.4° | 120.5° |
C5 | C7 | H73 | 109.5° | 109.5° |
C5 | C7 | H72 | 109.5° | 109.5° |
C5 | C7 | H71 | 109.5° | 109.5° |
N3 | C2 | O2 | 119.1° | 119.5° |
N3 | C2 | N1 | 116.8° | 120.9° |
C2 | N3 | H3 | 117.1° | 119.9° |
C5 | C6 | N1 | 121.2° | 119.7° |
C5 | C6 | H6 | 119.4° | 120.1° |
O2 | C2 | N1 | 124.1° | 119.5° |
C2 | N1 | C6 | 120.8° | 120.7° |
C2 | N1 | C1' | 118.5° | 119.7° |
C6 | N1 | C1' | 120.7° | 119.6° |
N1 | C6 | H6 | 119.4° | 120.2° |
N1 | C1' | O4' | 110.5° | 110.4° |
N1 | C1' | C2' | 113.7° | 110.4° |
N1 | C1' | H1' | 108.7° | 110.4° |
O4' | C1' | C2' | 105.8° | 104.8° |
C1' | O4' | C4' | 108.4° | 105.3° |
O4' | C1' | H1' | 109.8° | 110.4° |
C1' | C2' | C3' | 101.4° | 104.0° |
C2' | C1' | H1' | 108.2° | 110.5° |
C1' | C2' | H2' | 111.4° | 110.5° |
C1' | C2' | H2'' | 111.4° | 110.5° |
O4' | C4' | C5' | 109.7° | 110.4° |
O4' | C4' | C3' | 108.1° | 104.8° |
O4' | C4' | H4' | 109.7° | 110.4° |
OP1 | P | O5' | 104.6° | 109.5° |
OP1 | P | NP | 112.6° | 109.4° |
OP1 | P | OP3 | 98.6° | 109.5° |
C2' | C3' | C4' | 102.8° | 104.1° |
C2' | C3' | O3' | 112.7° | 110.5° |
C3' | C2' | H2' | 111.4° | 110.5° |
C3' | C2' | H2'' | 111.4° | 110.5° |
C2' | C3' | H3' | 109.8° | 110.5° |
P | O5' | C5' | 122.2° | 123.0° |
O5' | P | NP | 112.1° | 109.5° |
O5' | P | OP3 | 70.9° | 109.5° |
O5' | C5' | C4' | 113.0° | 109.5° |
O5' | C5' | H5' | 108.6° | 109.5° |
O5' | C5' | H5'' | 108.6° | 109.5° |
P | NP | CN | 113.1° | 111.0° |
NP | P | OP3 | 145.8° | 109.5° |
P | NP | HNP | 108.5° | 111.0° |
C5' | C4' | C3' | 113.0° | 110.4° |
C5' | C4' | H4' | 108.2° | 110.3° |
C4' | C5' | H5' | 108.6° | 109.5° |
C4' | C5' | H5'' | 108.6° | 109.5° |
C4' | C3' | O3' | 110.3° | 110.5° |
C4' | C3' | H3' | 109.6° | 110.6° |
C3' | C4' | H4' | 108.1° | 110.5° |
O3' | C3' | H3' | 111.2° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C33 | NC2 | CN | 123.6° | 111.0° |
C33 | NC2 | C34 | 115.9° | 111.0° |
NC2 | C33 | H33 | 109.5° | 109.5° |
NC2 | C33 | H31 | 109.5° | 109.4° |
NC2 | C33 | H32 | 109.5° | 109.5° |
NP | CN | NC2 | 123.0° | 109.8° |
NP | CN | NC1 | 120.6° | 109.8° |
NP | CN | H5 | 99.4° | 109.8° |
CN | NP | HNP | 108.6° | 111.0° |
CN | NC2 | C34 | 110.6° | 104.5° |
NC2 | CN | NC1 | 108.5° | 107.9° |
NC2 | CN | H5 | 99.3° | 109.8° |
NC2 | C34 | C31 | 104.9° | 102.2° |
NC2 | C34 | H42 | 110.6° | 110.9° |
NC2 | C34 | H41 | 110.6° | 110.9° |
CN | NC1 | C31 | 111.6° | 107.0° |
CN | NC1 | C32 | 124.6° | 111.0° |
NC1 | CN | H5 | 99.3° | 109.8° |
C34 | C31 | NC1 | 104.2° | 103.5° |
C34 | C31 | H12 | 110.8° | 110.6° |
C34 | C31 | H11 | 110.8° | 110.7° |
C31 | C34 | H42 | 110.6° | 110.8° |
C31 | C34 | H41 | 110.6° | 110.9° |
C31 | NC1 | C32 | 118.3° | 111.0° |
NC1 | C31 | H12 | 110.8° | 110.7° |
NC1 | C31 | H11 | 110.8° | 110.6° |
NC1 | C32 | H23 | 109.5° | 109.4° |
NC1 | C32 | H21 | 109.5° | 109.5° |
NC1 | C32 | H22 | 109.5° | 109.5° |
H2' | C2' | H2'' | 109.5° | 110.6° |
H5' | C5' | H5'' | 109.5° | 109.4° |
H73 | C7 | H72 | 109.5° | 109.4° |
H73 | C7 | H71 | 109.4° | 109.5° |
H72 | C7 | H71 | 109.5° | 109.4° |
H12 | C31 | H11 | 109.4° | 110.6° |
H23 | C32 | H21 | 109.5° | 109.5° |
H23 | C32 | H22 | 109.5° | 109.5° |
H21 | C32 | H22 | 109.5° | 109.5° |
H33 | C33 | H31 | 109.4° | 109.5° |
H33 | C33 | H32 | 109.5° | 109.5° |
H31 | C33 | H32 | 109.5° | 109.5° |
H42 | C34 | H41 | 109.5° | 110.9° |
P | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | N3 | C5 | 179.1° | 180.0° |
O4 | C4 | C5 | C7 | 2.7° | 0.0° |
O4 | C4 | N3 | C2 | 177.8° | 179.9° |
O4 | C4 | C5 | C6 | 177.1° | 180.0° |
O4 | C4 | N3 | H3 | 2.2° | 0.1° |
N3 | C4 | C5 | C7 | 178.3° | 180.0° |
C4 | N3 | C2 | H3 | 180.0° | 179.9° |
N3 | C4 | C5 | C6 | 1.9° | 0.0° |
C4 | N3 | C2 | O2 | 179.0° | 180.0° |
C4 | N3 | C2 | N1 | 0.8° | 0.1° |
C4 | C5 | C7 | C6 | 179.9° | 180.0° |
C5 | C4 | N3 | C2 | 1.2° | 0.1° |
C4 | C5 | C6 | N1 | 0.4° | 0.0° |
C4 | C5 | C6 | H6 | 179.6° | 179.7° |
C5 | C4 | N3 | H3 | 178.8° | 179.9° |
C4 | C5 | C7 | H73 | 180.0° | 90.0° |
C4 | C5 | C7 | H72 | 60.0° | 30.0° |
C4 | C5 | C7 | H71 | 60.0° | 150.0° |
C7 | C5 | C6 | N1 | 179.8° | 180.0° |
C7 | C5 | C6 | H6 | 0.3° | 0.3° |
C5 | C7 | H73 | H72 | 120.0° | 120.0° |
C5 | C7 | H73 | H71 | 120.0° | 120.1° |
C5 | C7 | H72 | H71 | 120.0° | 120.0° |
N3 | C2 | O2 | N1 | 179.8° | 179.9° |
N3 | C2 | N1 | C6 | 2.4° | 0.1° |
N3 | C2 | N1 | C1' | 177.6° | 179.7° |
C5 | C6 | N1 | C2 | 1.9° | 0.0° |
C5 | C6 | N1 | H6 | 180.0° | 179.7° |
C5 | C6 | N1 | C1' | 178.1° | 179.8° |
C6 | C5 | C7 | H73 | 0.1° | 90.0° |
C6 | C5 | C7 | H72 | 120.2° | 150.0° |
C6 | C5 | C7 | H71 | 119.9° | 30.0° |
O2 | C2 | N1 | C6 | 177.4° | 180.0° |
O2 | C2 | N1 | C1' | 2.7° | 0.2° |
O2 | C2 | N3 | H3 | 1.0° | 0.1° |
C2 | N1 | C6 | C1' | 180.0° | 179.8° |
C2 | N1 | C1' | O4' | 114.2° | 53.3° |
C2 | N1 | C1' | C2' | 127.0° | 62.1° |
C2 | N1 | C6 | H6 | 178.2° | 179.7° |
N1 | C2 | N3 | H3 | 179.2° | 180.0° |
C2 | N1 | C1' | H1' | 6.3° | 175.6° |
C6 | N1 | C1' | O4' | 65.8° | 126.5° |
C6 | N1 | C1' | C2' | 53.0° | 118.2° |
C6 | N1 | C1' | H1' | 173.7° | 4.2° |
N1 | C1' | O4' | C2' | 123.5° | 118.8° |
N1 | C1' | O4' | H1' | 119.9° | 122.3° |
N1 | C1' | C2' | H1' | 121.0° | 122.3° |
N1 | C1' | O4' | C4' | 153.5° | 159.3° |
N1 | C1' | C2' | C3' | 158.8° | 142.8° |
C1' | N1 | C6 | H6 | 1.8° | 0.1° |
N1 | C1' | C2' | H2' | 82.5° | 98.6° |
N1 | C1' | C2' | H2'' | 40.1° | 24.2° |
O4' | C1' | C2' | H1' | 117.6° | 118.9° |
O4' | C1' | C2' | C3' | 37.4° | 24.0° |
C1' | O4' | C4' | C5' | 133.8° | 159.4° |
C1' | O4' | C4' | C3' | 10.1° | 40.5° |
O4' | C1' | C2' | H2' | 156.0° | 142.6° |
O4' | C1' | C2' | H2'' | 81.3° | 94.6° |
C1' | O4' | C4' | H4' | 107.6° | 78.4° |
C2' | C1' | O4' | C4' | 30.0° | 40.5° |
C1' | C2' | C3' | H2' | 118.7° | 118.6° |
C1' | C2' | C3' | H2'' | 118.7° | 118.6° |
C1' | C2' | C3' | C4' | 29.7° | 0.0° |
C1' | C2' | C3' | O3' | 89.1° | 118.7° |
C1' | C2' | H2' | H2'' | 123.8° | 122.7° |
C1' | C2' | C3' | H3' | 146.3° | 118.8° |
O4' | C4' | C3' | C2' | 13.5° | 24.0° |
O4' | C4' | C5' | O5' | 61.9° | 66.5° |
O4' | C4' | C5' | C3' | 120.7° | 115.4° |
O4' | C4' | C5' | H4' | 119.6° | 122.3° |
O4' | C4' | C3' | H4' | 118.7° | 118.9° |
O4' | C4' | C3' | O3' | 106.9° | 142.6° |
C4' | O4' | C1' | H1' | 86.6° | 78.4° |
O4' | C4' | C3' | H3' | 130.3° | 94.7° |
O4' | C4' | C5' | H5' | 177.6° | 173.5° |
O4' | C4' | C5' | H5'' | 58.6° | 53.5° |
OP1 | P | O5' | NP | 122.3° | 120.0° |
OP1 | P | O5' | OP3 | 94.2° | 120.0° |
OP1 | P | O5' | C5' | 175.8° | 50.0° |
OP1 | P | NP | OP3 | 154.1° | 120.0° |
OP1 | P | NP | CN | 156.8° | 180.0° |
OP1 | P | OP3 | HOP3 | 90.0° | 180.0° |
OP1 | P | NP | HNP | 82.7° | 56.0° |
C2' | C3' | C4' | C5' | 108.1° | 142.8° |
C2' | C3' | C4' | O3' | 120.4° | 118.6° |
C2' | C3' | C4' | H3' | 116.7° | 118.7° |
C2' | C3' | O3' | H3' | 123.9° | 122.6° |
C3' | C2' | C1' | H1' | 80.3° | 94.9° |
C3' | C2' | H2' | H2'' | 123.7° | 122.7° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | H4' | 132.2° | 94.9° |
O5' | P | NP | OP3 | 88.2° | 120.0° |
P | O5' | C5' | C4' | 176.5° | 180.0° |
O5' | P | NP | CN | 85.6° | 60.0° |
P | O5' | C5' | H5' | 56.0° | 60.0° |
P | O5' | C5' | H5'' | 62.9° | 59.9° |
O5' | P | OP3 | HOP3 | 90.0° | 60.0° |
O5' | P | NP | HNP | 35.0° | 64.0° |
C5' | O5' | P | NP | 53.5° | 70.0° |
O5' | C5' | C4' | H5' | 120.5° | 120.0° |
O5' | C5' | C4' | H5'' | 120.5° | 120.0° |
O5' | C5' | C4' | C3' | 58.8° | 178.2° |
O5' | C5' | C4' | H4' | 178.5° | 55.8° |
O5' | C5' | H5' | H5'' | 118.4° | 119.9° |
C5' | O5' | P | OP3 | 90.0° | 170.0° |
P | NP | CN | HNP | 120.5° | 124.0° |
P | NP | CN | NC2 | 80.1° | 83.7° |
P | NP | CN | NC1 | 134.3° | 157.8° |
P | NP | CN | H5 | 27.5° | 37.1° |
NP | P | OP3 | HOP3 | 90.0° | 60.0° |
C5' | C4' | C3' | H4' | 119.7° | 122.3° |
C5' | C4' | C3' | O3' | 131.5° | 98.5° |
C5' | C4' | C3' | H3' | 8.7° | 24.1° |
C4' | C5' | H5' | H5'' | 118.4° | 120.0° |
C4' | C3' | O3' | H3' | 121.9° | 122.7° |
C4' | C3' | C2' | H2' | 148.4° | 118.6° |
C4' | C3' | C2' | H2'' | 89.0° | 118.6° |
C4' | C3' | O3' | HO3' | 65.8° | 176.1° |
C3' | C4' | C5' | H5' | 61.7° | 58.1° |
C3' | C4' | C5' | H5'' | 179.3° | 61.8° |
O3' | C3' | C2' | H2' | 29.6° | 0.1° |
O3' | C3' | C2' | H2'' | 152.2° | 122.7° |
O3' | C3' | C4' | H4' | 11.8° | 23.7° |
C33 | NC2 | CN | NP | 9.5° | 23.9° |
C33 | NC2 | CN | C34 | 144.2° | 119.8° |
C33 | NC2 | CN | NC1 | 139.6° | 95.7° |
C33 | NC2 | C34 | C31 | 143.0° | 82.9° |
C33 | NC2 | CN | H5 | 117.2° | 144.7° |
NC2 | C33 | H33 | H31 | 120.0° | 119.9° |
NC2 | C33 | H33 | H32 | 120.0° | 120.0° |
NC2 | C33 | H31 | H32 | 120.0° | 120.0° |
C33 | NC2 | C34 | H42 | 23.7° | 35.3° |
C33 | NC2 | C34 | H41 | 97.8° | 159.0° |
NP | CN | NC2 | NC1 | 149.1° | 119.6° |
NP | CN | NC2 | H5 | 107.7° | 120.8° |
NP | CN | NC2 | C34 | 153.7° | 143.6° |
NP | CN | NC1 | H5 | 106.9° | 120.8° |
NP | CN | NC1 | C31 | 153.0° | 120.0° |
NP | CN | NC1 | C32 | 0.2° | 1.3° |
CN | NP | P | OP3 | 2.6° | 60.0° |
NC2 | CN | NC1 | H5 | 103.1° | 119.6° |
CN | NC2 | C34 | C31 | 4.2° | 36.9° |
NC2 | CN | NC1 | C31 | 3.0° | 0.3° |
NC2 | CN | NC1 | C32 | 150.2° | 120.9° |
CN | NC2 | C33 | H33 | 180.0° | 60.0° |
CN | NC2 | C33 | H31 | 60.0° | 180.0° |
CN | NC2 | C33 | H32 | 60.0° | 60.0° |
CN | NC2 | C34 | H42 | 123.5° | 155.0° |
CN | NC2 | C34 | H41 | 115.0° | 81.3° |
NC2 | CN | NP | HNP | 159.3° | 152.3° |
C34 | NC2 | CN | NC1 | 4.6° | 24.0° |
NC2 | C34 | C31 | H42 | 119.3° | 118.2° |
NC2 | C34 | C31 | H41 | 119.3° | 118.3° |
NC2 | C34 | C31 | NC1 | 2.3° | 36.6° |
C34 | NC2 | CN | H5 | 98.6° | 95.6° |
NC2 | C34 | C31 | H12 | 116.9° | 155.1° |
NC2 | C34 | C31 | H11 | 121.4° | 82.0° |
C34 | NC2 | C33 | H33 | 37.5° | 175.8° |
C34 | NC2 | C33 | H31 | 82.5° | 64.2° |
C34 | NC2 | C33 | H32 | 157.5° | 55.9° |
NC2 | C34 | H42 | H41 | 122.1° | 123.7° |
CN | NC1 | C31 | C34 | 0.3° | 22.4° |
CN | NC1 | C31 | C32 | 155.1° | 121.3° |
CN | NC1 | C31 | H12 | 119.5° | 140.9° |
CN | NC1 | C31 | H11 | 118.8° | 96.3° |
CN | NC1 | C32 | H23 | 180.0° | 53.1° |
CN | NC1 | C32 | H21 | 60.0° | 173.1° |
CN | NC1 | C32 | H22 | 60.0° | 66.9° |
NC1 | CN | NP | HNP | 13.8° | 33.8° |
C34 | C31 | NC1 | H12 | 119.2° | 118.5° |
C34 | C31 | NC1 | H11 | 119.2° | 118.6° |
C34 | C31 | NC1 | C32 | 154.8° | 143.6° |
C34 | C31 | H12 | H11 | 122.4° | 123.0° |
C31 | C34 | H42 | H41 | 122.1° | 123.6° |
C31 | NC1 | CN | H5 | 100.1° | 119.3° |
NC1 | C31 | H12 | H11 | 122.4° | 122.9° |
C31 | NC1 | C32 | H23 | 28.4° | 65.8° |
C31 | NC1 | C32 | H21 | 148.4° | 54.2° |
C31 | NC1 | C32 | H22 | 91.6° | 174.2° |
NC1 | C31 | C34 | H42 | 121.6° | 154.8° |
NC1 | C31 | C34 | H41 | 117.0° | 81.7° |
C32 | NC1 | CN | H5 | 106.6° | 119.5° |
C32 | NC1 | C31 | H12 | 35.6° | 97.9° |
C32 | NC1 | C31 | H11 | 86.1° | 25.0° |
NC1 | C32 | H23 | H21 | 120.0° | 120.0° |
NC1 | C32 | H23 | H22 | 120.0° | 120.0° |
NC1 | C32 | H21 | H22 | 120.0° | 120.0° |
H1' | C1' | C2' | H2' | 38.4° | 23.7° |
H1' | C1' | C2' | H2'' | 161.1° | 146.5° |
H2' | C2' | C3' | H3' | 95.0° | 122.6° |
H2'' | C2' | C3' | H3' | 27.6° | 0.2° |
H3' | C3' | O3' | HO3' | 56.1° | 61.1° |
H3' | C3' | C4' | H4' | 111.1° | 146.4° |
H4' | C4' | C5' | H5' | 57.9° | 64.2° |
H4' | C4' | C5' | H5'' | 61.0° | 175.8° |
H73 | C7 | H72 | H71 | 120.0° | 120.0° |
H5 | CN | NP | HNP | 93.0° | 86.9° |
H12 | C31 | C34 | H42 | 2.4° | 86.7° |
H12 | C31 | C34 | H41 | 123.8° | 36.9° |
H11 | C31 | C34 | H42 | 119.3° | 36.2° |
H11 | C31 | C34 | H41 | 2.2° | 159.8° |
H23 | C32 | H21 | H22 | 120.0° | 120.0° |
H33 | C33 | H31 | H32 | 120.0° | 120.1° |
OP3 | P | NP | HNP | 123.2° | 176.0° |