WC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C03 | C04 | doub | 1.40Å | 1.53Å | Aromatic |
| C03 | C25 | sing | 1.37Å | 1.56Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.44Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| C04 | C18 | sing | 1.36Å | 1.54Å | Aromatic |
| C05 | C16 | sing | 1.54Å | 1.35Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C14 | sing | 1.55Å | 1.61Å | |
| C07 | O06 | sing | 1.44Å | 1.32Å | |
| C08 | O5' | sing | 1.43Å | 1.48Å | |
| C14 | C16 | sing | 1.55Å | 1.56Å | |
| C14 | O15 | sing | 1.43Å | 1.33Å | |
| C16 | O17 | sing | 1.43Å | 1.48Å | |
| C18 | C19 | doub | 1.41Å | 1.56Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.52Å | Aromatic |
| C19 | C24 | sing | 1.41Å | 1.55Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.58Å | Aromatic |
| C20 | C25 | doub | 1.40Å | 1.53Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.52Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.55Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.55Å | Aromatic |
| O5' | P | sing | 1.61Å | 1.66Å | |
| OP1 | P | sing | 1.61Å | 1.52Å | |
| OP2 | P | doub | 1.48Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| O15 | H18 | sing | 0.97Å | 0.95Å | |
| O17 | H19 | sing | 0.97Å | 0.95Å | |
| OP1 | H20 | sing | 0.97Å | 0.95Å | |
| C05 | O06 | sing | 1.44Å | 1.66Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| OP3 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.0° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.4° | 109.5° |
| C04 | C03 | C25 | 119.5° | 120.9° |
| C04 | C03 | O02 | 119.9° | 119.6° |
| C03 | C04 | C05 | 117.7° | 119.5° |
| C03 | C04 | C18 | 120.3° | 120.9° |
| C25 | C03 | O02 | 120.6° | 119.6° |
| C03 | C25 | C20 | 120.0° | 119.6° |
| C03 | C25 | H16 | 120.0° | 120.2° |
| C05 | C04 | C18 | 122.0° | 119.6° |
| C04 | C05 | C16 | 113.8° | 109.8° |
| C04 | C05 | H4 | 108.8° | 109.9° |
| C04 | C05 | O06 | 108.5° | 109.9° |
| C04 | C18 | C19 | 120.1° | 119.7° |
| C04 | C18 | H11 | 119.9° | 120.1° |
| C05 | C16 | C14 | 106.4° | 104.2° |
| C05 | C16 | O17 | 109.2° | 110.5° |
| C16 | C05 | H4 | 110.8° | 109.9° |
| C05 | C16 | H10 | 112.0° | 110.5° |
| C16 | C05 | O06 | 107.8° | 107.3° |
| C08 | C07 | C14 | 111.7° | 110.6° |
| C08 | C07 | O06 | 113.0° | 110.7° |
| C07 | C08 | O5' | 114.9° | 109.4° |
| C08 | C07 | H6 | 108.1° | 110.6° |
| C07 | C08 | H7 | 108.1° | 109.5° |
| C07 | C08 | H8 | 108.1° | 109.5° |
| C14 | C07 | O06 | 105.5° | 103.5° |
| C07 | C14 | C16 | 106.3° | 102.1° |
| C07 | C14 | O15 | 110.7° | 111.0° |
| C14 | C07 | H6 | 107.2° | 110.6° |
| C07 | C14 | H9 | 108.3° | 110.9° |
| O06 | C07 | H6 | 111.2° | 110.7° |
| C07 | O06 | C05 | 107.1° | 107.0° |
| C08 | O5' | P | 119.0° | 123.0° |
| O5' | C08 | H7 | 108.1° | 109.5° |
| O5' | C08 | H8 | 108.1° | 109.5° |
| C16 | C14 | O15 | 110.1° | 110.9° |
| C14 | C16 | O17 | 110.1° | 110.5° |
| C16 | C14 | H9 | 108.9° | 110.8° |
| C14 | C16 | H10 | 109.0° | 110.6° |
| O15 | C14 | H9 | 112.4° | 110.8° |
| C14 | O15 | H18 | 109.5° | 114.0° |
| O17 | C16 | H10 | 110.0° | 110.5° |
| C16 | O17 | H19 | 109.5° | 114.0° |
| C18 | C19 | C20 | 119.4° | 119.5° |
| C18 | C19 | C24 | 120.1° | 121.2° |
| C19 | C18 | H11 | 120.0° | 120.2° |
| C20 | C19 | C24 | 120.5° | 119.3° |
| C19 | C20 | C21 | 119.4° | 119.4° |
| C19 | C20 | C25 | 120.7° | 119.4° |
| C19 | C24 | C23 | 120.0° | 119.7° |
| C19 | C24 | H15 | 120.0° | 120.2° |
| C21 | C20 | C25 | 119.9° | 121.2° |
| C20 | C21 | C22 | 120.1° | 119.7° |
| C20 | C21 | H12 | 119.9° | 120.2° |
| C20 | C25 | H16 | 120.0° | 120.2° |
| C21 | C22 | C23 | 120.5° | 121.0° |
| C22 | C21 | H12 | 120.0° | 120.2° |
| C21 | C22 | H13 | 119.8° | 119.5° |
| C22 | C23 | C24 | 119.4° | 121.0° |
| C23 | C22 | H13 | 119.7° | 119.6° |
| C22 | C23 | H14 | 120.3° | 119.5° |
| C24 | C23 | H14 | 120.3° | 119.5° |
| C23 | C24 | H15 | 120.0° | 120.2° |
| O5' | P | OP1 | 110.5° | 109.5° |
| O5' | P | OP2 | 108.2° | 109.5° |
| O5' | P | OP3 | 105.3° | 109.5° |
| OP1 | P | OP2 | 109.3° | 109.5° |
| P | OP1 | H20 | 109.5° | 114.0° |
| OP1 | P | OP3 | 125.6° | 109.5° |
| OP2 | P | OP3 | 96.2° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C05 | O06 | 106.8° | 110.0° |
| H7 | C08 | H8 | 109.4° | 109.5° |
| P | OP3 | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 102.9° | 180.0° |
| C01 | O02 | C03 | C25 | 77.1° | 0.3° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C04 | C03 | C25 | O02 | 180.0° | 179.7° |
| C03 | C04 | C05 | C18 | 179.4° | 180.0° |
| C03 | C04 | C05 | C16 | 164.0° | 85.0° |
| C03 | C04 | C18 | C19 | 0.1° | 0.0° |
| C04 | C03 | C25 | C20 | 0.1° | 0.0° |
| C03 | C04 | C05 | H4 | 39.9° | 36.0° |
| C03 | C04 | C18 | H11 | 179.9° | 180.0° |
| C04 | C03 | C25 | H16 | 179.9° | 180.0° |
| C03 | C04 | C05 | O06 | 76.0° | 157.2° |
| C25 | C03 | C04 | C05 | 179.4° | 180.0° |
| C25 | C03 | C04 | C18 | 0.0° | 0.0° |
| C03 | C25 | C20 | C19 | 0.2° | 0.0° |
| C03 | C25 | C20 | C21 | 179.8° | 179.9° |
| C03 | C25 | C20 | H16 | 180.0° | 180.0° |
| O02 | C03 | C04 | C05 | 0.5° | 0.3° |
| O02 | C03 | C04 | C18 | 179.9° | 179.7° |
| O02 | C03 | C25 | C20 | 179.9° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C25 | H16 | 0.1° | 0.2° |
| C04 | C05 | C16 | H4 | 123.0° | 121.0° |
| C04 | C05 | C16 | O06 | 120.4° | 119.4° |
| C04 | C05 | O06 | C07 | 96.0° | 145.9° |
| C04 | C05 | C16 | C14 | 104.7° | 121.5° |
| C04 | C05 | C16 | O17 | 136.5° | 119.9° |
| C05 | C04 | C18 | C19 | 179.5° | 180.0° |
| C04 | C05 | H4 | O06 | 117.0° | 121.1° |
| C04 | C05 | C16 | H10 | 14.3° | 2.7° |
| C05 | C04 | C18 | H11 | 0.5° | 0.0° |
| C18 | C04 | C05 | C16 | 16.6° | 95.0° |
| C04 | C18 | C19 | H11 | 180.0° | 180.0° |
| C04 | C18 | C19 | C20 | 0.0° | 0.0° |
| C04 | C18 | C19 | C24 | 179.9° | 180.0° |
| C18 | C04 | C05 | H4 | 140.7° | 144.0° |
| C18 | C04 | C05 | O06 | 103.4° | 22.8° |
| C05 | C16 | C14 | C07 | 2.1° | 20.8° |
| C16 | C05 | O06 | C07 | 27.7° | 26.6° |
| C05 | C16 | C14 | O17 | 118.3° | 118.7° |
| C05 | C16 | C14 | H10 | 121.0° | 118.7° |
| C05 | C16 | C14 | O15 | 122.0° | 139.1° |
| C05 | C16 | O17 | H10 | 123.4° | 122.6° |
| C16 | C05 | H4 | O06 | 117.2° | 117.9° |
| C05 | C16 | C14 | H9 | 114.3° | 97.4° |
| C05 | C16 | O17 | H19 | 180.0° | 179.9° |
| C08 | C07 | C14 | O06 | 123.2° | 118.6° |
| C08 | C07 | C14 | H6 | 118.2° | 122.8° |
| C08 | C07 | O06 | H6 | 121.8° | 123.0° |
| C07 | C08 | O5' | H7 | 120.8° | 120.0° |
| C07 | C08 | O5' | H8 | 120.8° | 120.0° |
| C08 | C07 | C14 | C16 | 107.3° | 155.5° |
| C08 | C07 | C14 | O15 | 133.2° | 86.3° |
| C07 | C08 | O5' | P | 78.3° | 180.0° |
| C07 | C08 | H7 | H8 | 117.5° | 120.0° |
| C08 | C07 | C14 | H9 | 9.6° | 37.4° |
| C08 | C07 | O06 | C05 | 98.0° | 158.6° |
| C14 | C07 | O06 | H6 | 115.9° | 118.5° |
| C14 | C07 | C08 | O5' | 126.9° | 175.0° |
| C07 | C14 | C16 | O15 | 119.9° | 118.3° |
| C07 | C14 | C16 | H9 | 116.4° | 118.2° |
| C07 | C14 | O15 | H9 | 121.2° | 123.7° |
| C07 | C14 | C16 | O17 | 116.2° | 97.9° |
| C14 | C07 | C08 | H7 | 112.3° | 55.0° |
| C14 | C07 | C08 | H8 | 6.1° | 65.0° |
| C07 | C14 | C16 | H10 | 123.1° | 139.5° |
| C07 | C14 | O15 | H18 | 180.0° | 179.9° |
| C14 | C07 | O06 | C05 | 24.3° | 40.1° |
| O06 | C07 | C08 | O5' | 8.1° | 70.9° |
| O06 | C07 | C14 | C16 | 15.9° | 37.0° |
| O06 | C07 | C14 | O15 | 103.7° | 155.2° |
| C07 | O06 | C05 | H4 | 146.9° | 93.0° |
| O06 | C07 | C08 | H7 | 128.9° | 169.1° |
| O06 | C07 | C08 | H8 | 112.7° | 49.1° |
| O06 | C07 | C14 | H9 | 132.8° | 81.2° |
| C08 | O5' | P | OP1 | 29.9° | 175.0° |
| C08 | O5' | P | OP2 | 89.7° | 54.9° |
| O5' | C08 | C07 | H6 | 115.4° | 52.2° |
| O5' | C08 | H7 | H8 | 117.5° | 120.0° |
| C08 | O5' | P | OP3 | 168.3° | 65.1° |
| C16 | C14 | O15 | H9 | 121.6° | 123.6° |
| C14 | C16 | O17 | H10 | 120.1° | 122.6° |
| C14 | C16 | C05 | H4 | 132.3° | 117.5° |
| C16 | C14 | C07 | H6 | 134.5° | 81.6° |
| C16 | C14 | O15 | H18 | 62.8° | 67.3° |
| C14 | C16 | O17 | H19 | 63.5° | 65.2° |
| C14 | C16 | C05 | O06 | 15.7° | 2.1° |
| O15 | C14 | C16 | O17 | 3.8° | 20.4° |
| O15 | C14 | C07 | H6 | 14.9° | 36.6° |
| O15 | C14 | C16 | H10 | 117.0° | 102.2° |
| O17 | C16 | C05 | H4 | 13.4° | 1.1° |
| O17 | C16 | C14 | H9 | 127.4° | 144.0° |
| O17 | C16 | C05 | O06 | 103.1° | 120.8° |
| C18 | C19 | C20 | C24 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C18 | C19 | C20 | C25 | 0.1° | 0.1° |
| C18 | C19 | C24 | C23 | 179.8° | 180.0° |
| C18 | C19 | C24 | H15 | 0.1° | 0.0° |
| C19 | C20 | C21 | C25 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C24 | C23 | 0.0° | 0.0° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | H12 | 179.9° | 180.0° |
| C20 | C19 | C24 | H15 | 180.0° | 180.0° |
| C19 | C20 | C25 | H16 | 179.8° | 179.9° |
| C24 | C19 | C20 | C21 | 0.1° | 0.1° |
| C24 | C19 | C20 | C25 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.0° | 0.0° |
| C19 | C24 | C23 | H15 | 180.0° | 180.0° |
| C24 | C19 | C18 | H11 | 0.1° | 0.0° |
| C19 | C24 | C23 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C21 | C20 | C25 | H16 | 0.2° | 0.0° |
| C25 | C20 | C21 | C22 | 180.0° | 180.0° |
| C25 | C20 | C21 | H12 | 0.0° | 0.1° |
| C21 | C22 | C23 | H13 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | H12 | 179.9° | 180.0° |
| C22 | C23 | C24 | H15 | 180.0° | 180.0° |
| C24 | C23 | C22 | H13 | 180.0° | 179.9° |
| O5' | P | OP1 | OP2 | 119.0° | 120.0° |
| O5' | P | OP1 | OP3 | 128.0° | 120.0° |
| O5' | P | OP2 | OP3 | 108.4° | 120.0° |
| P | O5' | C08 | H7 | 42.5° | 60.0° |
| P | O5' | C08 | H8 | 160.9° | 60.1° |
| O5' | P | OP1 | H20 | 118.9° | 180.0° |
| O5' | P | OP3 | H5 | 110.8° | 60.0° |
| OP1 | P | OP2 | OP3 | 131.2° | 120.0° |
| OP1 | P | OP3 | H5 | 119.1° | 60.0° |
| OP2 | P | OP1 | H20 | 0.0° | 60.0° |
| OP2 | P | OP3 | H5 | 0.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | C16 | H10 | 108.7° | 123.7° |
| H6 | C07 | C08 | H7 | 5.4° | 67.9° |
| H6 | C07 | C08 | H8 | 123.8° | 172.1° |
| H6 | C07 | C14 | H9 | 108.6° | 160.2° |
| H6 | C07 | O06 | C05 | 140.2° | 78.4° |
| H9 | C14 | C16 | H10 | 6.7° | 21.4° |
| H9 | C14 | O15 | H18 | 58.8° | 56.3° |
| H10 | C16 | O17 | H19 | 56.6° | 57.5° |
| H10 | C16 | C05 | O06 | 134.7° | 116.7° |
| H12 | C21 | C22 | H13 | 0.0° | 0.1° |
| H13 | C22 | C23 | H14 | 0.0° | 0.1° |
| H14 | C23 | C24 | H15 | 0.0° | 0.0° |
| H20 | OP1 | P | OP3 | 113.1° | 60.0° |
