PMV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP2 | P | sing | 1.61Å | 1.61Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
P | O5 | sing | 1.61Å | 1.61Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5 | C5 | sing | 1.43Å | 1.43Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C3 | C3A | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | O3A | sing | 1.43Å | 1.43Å | |
O3A | HO3A | sing | 0.97Å | 0.95Å | |
C3A | H3A1 | sing | 1.09Å | 1.10Å | |
C3A | H3A2 | sing | 1.09Å | 1.10Å | |
C3A | H3A3 | sing | 1.09Å | 1.10Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | O2 | sing | 1.34Å | 1.23Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP2 | HOP2 | 109.5° | 114.0° |
OP2 | P | OP1 | 112.8° | 109.4° |
OP2 | P | OP3 | 106.1° | 109.5° |
OP2 | P | O5 | 106.2° | 109.5° |
OP1 | P | OP3 | 113.3° | 109.5° |
OP1 | P | O5 | 111.4° | 109.5° |
OP3 | P | O5 | 106.5° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
P | O5 | C5 | 120.7° | 123.0° |
O5 | C5 | C4 | 109.1° | 109.5° |
O5 | C5 | H51 | 109.6° | 109.5° |
O5 | C5 | H52 | 109.7° | 109.4° |
C4 | C5 | H51 | 109.6° | 109.5° |
C4 | C5 | H52 | 109.7° | 109.5° |
C5 | C4 | C3 | 113.1° | 109.5° |
C5 | C4 | H41 | 108.3° | 109.5° |
C5 | C4 | H42 | 107.5° | 109.5° |
H51 | C5 | H52 | 109.2° | 109.5° |
C3 | C4 | H41 | 108.3° | 109.5° |
C3 | C4 | H42 | 107.4° | 109.5° |
C4 | C3 | C3A | 111.6° | 109.5° |
C4 | C3 | C2 | 110.5° | 109.5° |
C4 | C3 | O3A | 107.6° | 109.5° |
H41 | C4 | H42 | 112.4° | 109.4° |
C3A | C3 | C2 | 108.8° | 109.5° |
C3A | C3 | O3A | 109.3° | 109.4° |
C3 | C3A | H3A1 | 109.5° | 109.4° |
C3 | C3A | H3A2 | 109.5° | 109.5° |
C3 | C3A | H3A3 | 109.5° | 109.4° |
C2 | C3 | O3A | 109.0° | 109.5° |
C3 | C2 | C1 | 112.2° | 109.5° |
C3 | C2 | H21 | 108.6° | 109.4° |
C3 | C2 | H22 | 108.0° | 109.5° |
C3 | O3A | HO3A | 109.5° | 114.0° |
H3A1 | C3A | H3A2 | 109.5° | 109.5° |
H3A1 | C3A | H3A3 | 109.4° | 109.5° |
H3A2 | C3A | H3A3 | 109.5° | 109.5° |
C1 | C2 | H21 | 108.5° | 109.4° |
C1 | C2 | H22 | 107.9° | 109.5° |
C2 | C1 | O1 | 120.5° | 120.0° |
C2 | C1 | O2 | 120.1° | 120.0° |
H21 | C2 | H22 | 111.6° | 109.5° |
O1 | C1 | O2 | 119.4° | 120.0° |
C1 | O2 | HO2 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP2 | P | OP1 | OP3 | 120.6° | 120.0° |
OP2 | P | OP1 | O5 | 119.4° | 119.9° |
OP2 | P | OP3 | O5 | 112.9° | 120.0° |
OP2 | P | OP3 | HOP3 | 104.9° | 60.0° |
OP2 | P | O5 | C5 | 58.0° | 65.0° |
HOP2 | OP2 | P | OP1 | 155.1° | 180.0° |
HOP2 | OP2 | P | OP3 | 80.3° | 60.0° |
HOP2 | OP2 | P | O5 | 32.8° | 60.0° |
OP1 | P | OP3 | O5 | 122.8° | 120.0° |
OP1 | P | OP3 | HOP3 | 130.7° | 60.0° |
OP1 | P | O5 | C5 | 178.8° | 54.9° |
OP3 | P | O5 | C5 | 54.8° | 175.0° |
O5 | P | OP3 | HOP3 | 8.0° | 180.0° |
P | O5 | C5 | C4 | 167.9° | 180.0° |
P | O5 | C5 | H51 | 47.9° | 59.9° |
P | O5 | C5 | H52 | 72.0° | 60.0° |
O5 | C5 | C4 | H51 | 120.0° | 120.0° |
O5 | C5 | C4 | H52 | 120.1° | 120.0° |
O5 | C5 | H51 | H52 | 120.1° | 120.0° |
O5 | C5 | C4 | C3 | 174.7° | 180.0° |
O5 | C5 | C4 | H41 | 54.7° | 59.9° |
O5 | C5 | C4 | H42 | 66.9° | 60.0° |
C4 | C5 | H51 | H52 | 120.2° | 120.0° |
C5 | C4 | C3 | H41 | 120.0° | 120.0° |
C5 | C4 | C3 | H42 | 118.4° | 120.0° |
C5 | C4 | H41 | H42 | 118.5° | 120.0° |
C5 | C4 | C3 | C3A | 57.8° | 55.0° |
C5 | C4 | C3 | C2 | 63.4° | 175.0° |
C5 | C4 | C3 | O3A | 177.7° | 65.0° |
H51 | C5 | C4 | C3 | 65.3° | 60.0° |
H51 | C5 | C4 | H41 | 174.7° | 179.9° |
H51 | C5 | C4 | H42 | 53.1° | 60.0° |
H52 | C5 | C4 | C3 | 54.6° | 60.0° |
H52 | C5 | C4 | H41 | 65.4° | 60.0° |
H52 | C5 | C4 | H42 | 173.0° | 180.0° |
C3 | C4 | H41 | H42 | 118.5° | 120.0° |
C4 | C3 | C3A | C2 | 122.2° | 120.0° |
C4 | C3 | C3A | O3A | 118.9° | 120.0° |
C4 | C3 | C2 | O3A | 118.0° | 120.0° |
C4 | C3 | O3A | HO3A | 10.8° | 60.0° |
C4 | C3 | C3A | H3A1 | 160.9° | 60.0° |
C4 | C3 | C3A | H3A2 | 79.1° | 180.0° |
C4 | C3 | C3A | H3A3 | 40.9° | 60.0° |
C4 | C3 | C2 | C1 | 67.4° | 180.0° |
C4 | C3 | C2 | H21 | 52.6° | 60.0° |
C4 | C3 | C2 | H22 | 173.8° | 60.0° |
H41 | C4 | C3 | C3A | 62.2° | 175.0° |
H41 | C4 | C3 | C2 | 176.6° | 65.0° |
H41 | C4 | C3 | O3A | 57.7° | 55.0° |
H42 | C4 | C3 | C3A | 176.2° | 65.0° |
H42 | C4 | C3 | C2 | 55.0° | 55.0° |
H42 | C4 | C3 | O3A | 63.8° | 175.0° |
C3A | C3 | C2 | O3A | 119.1° | 120.0° |
C3A | C3 | O3A | HO3A | 132.2° | 180.0° |
C3 | C3A | H3A1 | H3A2 | 120.0° | 120.0° |
C3 | C3A | H3A1 | H3A3 | 120.0° | 119.9° |
C3 | C3A | H3A2 | H3A3 | 120.0° | 119.9° |
C3A | C3 | C2 | C1 | 169.8° | 60.0° |
C3A | C3 | C2 | H21 | 70.3° | 180.0° |
C3A | C3 | C2 | H22 | 50.9° | 60.0° |
C2 | C3 | O3A | HO3A | 109.0° | 60.0° |
C2 | C3 | C3A | H3A1 | 76.9° | 180.0° |
C2 | C3 | C3A | H3A2 | 43.1° | 60.0° |
C2 | C3 | C3A | H3A3 | 163.1° | 60.0° |
C3 | C2 | C1 | H21 | 120.0° | 120.0° |
C3 | C2 | C1 | H22 | 118.9° | 120.0° |
C3 | C2 | H21 | H22 | 118.9° | 120.0° |
C3 | C2 | C1 | O1 | 145.5° | 0.0° |
C3 | C2 | C1 | O2 | 33.6° | 180.0° |
O3A | C3 | C3A | H3A1 | 42.0° | 60.0° |
O3A | C3 | C3A | H3A2 | 162.0° | 60.0° |
O3A | C3 | C3A | H3A3 | 78.0° | 180.0° |
O3A | C3 | C2 | C1 | 50.6° | 60.0° |
O3A | C3 | C2 | H21 | 170.6° | 60.0° |
O3A | C3 | C2 | H22 | 68.2° | 180.0° |
H3A1 | C3A | H3A2 | H3A3 | 120.0° | 120.1° |
C1 | C2 | H21 | H22 | 118.9° | 120.0° |
C2 | C1 | O1 | O2 | 179.1° | 179.9° |
C2 | C1 | O2 | HO2 | 179.1° | 180.0° |
H21 | C2 | C1 | O1 | 25.5° | 120.0° |
H21 | C2 | C1 | O2 | 153.6° | 60.1° |
H22 | C2 | C1 | O1 | 95.6° | 120.0° |
H22 | C2 | C1 | O2 | 85.2° | 60.0° |
O1 | C1 | O2 | HO2 | 0.0° | 0.1° |