2DM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 1.48Å | |
P | O1' | sing | 1.62Å | 1.62Å | |
P | OP3 | sing | 1.62Å | 20.81Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O1' | C1' | sing | 1.42Å | 1.42Å | |
O3' | C2' | sing | 1.43Å | 1.43Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C1' | C2' | sing | 1.52Å | 1.54Å | |
C1' | H1'1 | sing | 1.09Å | 1.09Å | |
C1' | H1'2 | sing | 1.09Å | 1.09Å | |
C2' | C3' | sing | 1.52Å | 1.54Å | |
C2' | H2' | sing | 1.10Å | 1.08Å | |
C3' | O4' | sing | 1.42Å | 1.43Å | |
C3' | H3'1 | sing | 1.10Å | 1.09Å | |
C3' | H3'2 | sing | 1.09Å | 1.09Å | |
O4' | C4' | sing | 1.42Å | 1.43Å | |
C4' | C1 | sing | 1.50Å | 1.52Å | |
C4' | H4'1 | sing | 1.10Å | 1.09Å | |
C4' | H4'2 | sing | 1.10Å | 1.08Å | |
C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
C1 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
C2 | H2 | sing | 1.09Å | 1.08Å | |
C11 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
C15 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
C15 | C16 | sing | 1.42Å | 1.41Å | Aromatic |
C3 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
C3 | H3 | sing | 1.09Å | 1.08Å | |
C12 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
C16 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
C16 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
C5 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.09Å | |
C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
C10 | H10 | sing | 1.09Å | 1.08Å | |
C14 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
C14 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
C9 | H9 | sing | 1.09Å | 1.08Å | |
C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C8 | H8 | sing | 1.09Å | 1.08Å | |
C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C7 | H7 | sing | 1.09Å | 1.07Å | |
C6 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.09Å | 1.08Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.2° | 115.3° |
OP1 | P | O1' | 108.7° | 115.1° |
OP1 | P | OP3 | 66.0° | 115.0° |
OP2 | P | O1' | 108.0° | 103.8° |
OP2 | P | OP3 | 126.6° | 103.3° |
P | OP2 | HOP2 | 119.2° | 119.0° |
O1' | P | OP3 | 120.5° | 102.7° |
P | O1' | C1' | 121.6° | 118.3° |
P | OP3 | HOP3 | 66.0° | 119.0° |
O1' | C1' | C2' | 115.3° | 109.9° |
O1' | C1' | H1'1 | 110.7° | 108.0° |
O1' | C1' | H1'2 | 107.7° | 107.3° |
C2' | O3' | HO3' | 113.7° | 106.3° |
O3' | C2' | C1' | 113.7° | 108.7° |
O3' | C2' | C3' | 112.5° | 108.0° |
O3' | C2' | H2' | 102.5° | 106.7° |
C2' | C1' | H1'1 | 107.2° | 111.6° |
C2' | C1' | H1'2 | 108.3° | 111.2° |
C1' | C2' | C3' | 114.7° | 111.5° |
C1' | C2' | H2' | 103.9° | 111.2° |
H1'1 | C1' | H1'2 | 107.3° | 108.8° |
C3' | C2' | H2' | 108.3° | 110.6° |
C2' | C3' | O4' | 115.2° | 108.9° |
C2' | C3' | H3'1 | 108.0° | 111.2° |
C2' | C3' | H3'2 | 110.2° | 111.1° |
O4' | C3' | H3'1 | 108.5° | 107.9° |
O4' | C3' | H3'2 | 110.6° | 108.0° |
C3' | O4' | C4' | 118.7° | 111.6° |
H3'1 | C3' | H3'2 | 103.6° | 109.5° |
O4' | C4' | C1 | 113.4° | 109.2° |
O4' | C4' | H4'1 | 109.3° | 108.9° |
O4' | C4' | H4'2 | 112.7° | 109.0° |
C1 | C4' | H4'1 | 109.7° | 111.1° |
C1 | C4' | H4'2 | 103.3° | 110.9° |
C4' | C1 | C2 | 120.0° | 117.4° |
C4' | C1 | C11 | 120.2° | 122.1° |
H4'1 | C4' | H4'2 | 108.2° | 107.8° |
C2 | C1 | C11 | 119.7° | 120.6° |
C1 | C2 | C3 | 120.5° | 120.2° |
C1 | C2 | H2 | 121.0° | 120.6° |
C1 | C11 | C15 | 119.4° | 119.3° |
C1 | C11 | C10 | 121.7° | 121.4° |
C3 | C2 | H2 | 118.4° | 119.2° |
C2 | C3 | C12 | 120.1° | 120.6° |
C2 | C3 | H3 | 119.2° | 118.8° |
C15 | C11 | C10 | 118.9° | 119.2° |
C11 | C15 | C12 | 120.3° | 120.0° |
C11 | C15 | C16 | 120.4° | 120.0° |
C11 | C10 | C9 | 120.6° | 120.8° |
C11 | C10 | H10 | 121.7° | 121.5° |
C12 | C15 | C16 | 119.2° | 120.0° |
C15 | C12 | C3 | 119.9° | 119.3° |
C15 | C12 | C4 | 120.7° | 119.3° |
C15 | C16 | C14 | 120.0° | 120.0° |
C15 | C16 | C13 | 120.1° | 120.0° |
C12 | C3 | H3 | 120.7° | 120.6° |
C3 | C12 | C4 | 119.3° | 121.4° |
C12 | C4 | C5 | 120.3° | 120.8° |
C12 | C4 | H4 | 113.2° | 120.5° |
C14 | C16 | C13 | 119.9° | 120.0° |
C16 | C14 | C9 | 119.8° | 119.2° |
C16 | C14 | C8 | 120.3° | 119.3° |
C16 | C13 | C5 | 121.1° | 119.3° |
C16 | C13 | C6 | 119.1° | 119.3° |
C4 | C5 | C13 | 118.3° | 120.7° |
C4 | C5 | H5 | 125.7° | 118.7° |
C5 | C4 | H4 | 126.5° | 118.7° |
C13 | C5 | H5 | 115.9° | 120.6° |
C5 | C13 | C6 | 119.8° | 121.4° |
C9 | C10 | H10 | 117.8° | 117.8° |
C10 | C9 | C14 | 120.2° | 120.8° |
C10 | C9 | H9 | 120.6° | 118.7° |
C9 | C14 | C8 | 119.9° | 121.5° |
C14 | C9 | H9 | 119.1° | 120.5° |
C14 | C8 | C7 | 119.5° | 120.6° |
C14 | C8 | H8 | 120.7° | 120.6° |
C7 | C8 | H8 | 119.8° | 118.8° |
C8 | C7 | C6 | 120.1° | 120.2° |
C8 | C7 | H7 | 121.5° | 119.9° |
C6 | C7 | H7 | 118.4° | 119.8° |
C7 | C6 | C13 | 120.7° | 120.6° |
C7 | C6 | H6 | 118.4° | 118.8° |
C13 | C6 | H6 | 120.9° | 120.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O1' | 124.5° | 126.8° |
OP1 | P | OP2 | OP3 | 80.5° | 126.3° |
OP1 | P | O1' | OP3 | 72.6° | 125.7° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
OP1 | P | O1' | C1' | 154.3° | 180.0° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
OP2 | P | O1' | OP3 | 156.8° | 107.4° |
OP2 | P | O1' | C1' | 75.1° | 53.1° |
OP2 | P | OP3 | HOP3 | 70.5° | 78.5° |
O1' | P | OP2 | HOP2 | 55.5° | 175.6° |
P | O1' | C1' | C2' | 162.2° | 180.0° |
P | O1' | C1' | H1'1 | 40.3° | 58.1° |
P | O1' | C1' | H1'2 | 76.7° | 59.1° |
O1' | P | OP3 | HOP3 | 81.7° | 173.8° |
OP3 | P | OP2 | HOP2 | 99.5° | 77.5° |
OP3 | P | O1' | C1' | 81.7° | 54.3° |
O1' | C1' | C2' | O3' | 113.7° | 60.8° |
O1' | C1' | C2' | H1'1 | 123.8° | 119.8° |
O1' | C1' | C2' | H1'2 | 120.7° | 118.6° |
O1' | C1' | H1'1 | H1'2 | 117.3° | 116.1° |
O1' | C1' | C2' | C3' | 17.7° | 179.7° |
O1' | C1' | C2' | H2' | 135.7° | 56.3° |
O3' | C2' | C1' | C3' | 131.4° | 118.9° |
O3' | C2' | C1' | H2' | 110.6° | 117.2° |
O3' | C2' | C1' | H1'1 | 10.0° | 58.9° |
O3' | C2' | C1' | H1'2 | 125.6° | 179.4° |
O3' | C2' | C3' | H2' | 112.6° | 116.4° |
O3' | C2' | C3' | O4' | 158.0° | 61.9° |
O3' | C2' | C3' | H3'1 | 80.5° | 179.3° |
O3' | C2' | C3' | H3'2 | 31.9° | 57.0° |
HO3' | O3' | C2' | C1' | 180.0° | 176.3° |
HO3' | O3' | C2' | C3' | 47.5° | 55.3° |
HO3' | O3' | C2' | H2' | 68.6° | 63.7° |
C2' | C1' | H1'1 | H1'2 | 116.2° | 123.0° |
C1' | C2' | C3' | H2' | 115.5° | 124.2° |
C1' | C2' | C3' | O4' | 70.0° | 178.8° |
C1' | C2' | C3' | H3'1 | 51.4° | 60.0° |
C1' | C2' | C3' | H3'2 | 163.9° | 62.3° |
H1'1 | C1' | C2' | C3' | 141.5° | 60.0° |
H1'1 | C1' | C2' | H2' | 100.5° | 176.1° |
H1'2 | C1' | C2' | C3' | 103.0° | 61.7° |
H1'2 | C1' | C2' | H2' | 15.0° | 62.2° |
C2' | C3' | O4' | H3'1 | 121.2° | 120.8° |
C2' | C3' | O4' | H3'2 | 125.9° | 120.8° |
C2' | C3' | H3'1 | H3'2 | 116.9° | 123.2° |
C2' | C3' | O4' | C4' | 47.7° | 179.1° |
H2' | C2' | C3' | O4' | 45.4° | 54.6° |
H2' | C2' | C3' | H3'1 | 166.9° | 64.2° |
H2' | C2' | C3' | H3'2 | 80.6° | 173.5° |
O4' | C3' | H3'1 | H3'2 | 117.6° | 117.4° |
C3' | O4' | C4' | C1 | 163.9° | 180.0° |
C3' | O4' | C4' | H4'1 | 73.4° | 58.6° |
C3' | O4' | C4' | H4'2 | 47.0° | 58.8° |
H3'1 | C3' | O4' | C4' | 168.9° | 60.0° |
H3'2 | C3' | O4' | C4' | 78.1° | 58.3° |
O4' | C4' | C1 | H4'1 | 122.6° | 120.1° |
O4' | C4' | C1 | H4'2 | 122.3° | 120.1° |
O4' | C4' | H4'1 | H4'2 | 123.1° | 118.1° |
O4' | C4' | C1 | C2 | 5.6° | 90.0° |
O4' | C4' | C1 | C11 | 178.6° | 90.0° |
C1 | C4' | H4'1 | H4'2 | 112.0° | 121.7° |
C4' | C1 | C2 | C11 | 175.9° | 180.0° |
C4' | C1 | C2 | C3 | 173.4° | 180.0° |
C4' | C1 | C2 | H2 | 6.3° | 0.1° |
C4' | C1 | C11 | C15 | 175.7° | 180.0° |
C4' | C1 | C11 | C10 | 4.8° | 0.1° |
H4'1 | C4' | C1 | C2 | 128.1° | 30.1° |
H4'1 | C4' | C1 | C11 | 56.0° | 149.9° |
H4'2 | C4' | C1 | C2 | 116.7° | 149.9° |
H4'2 | C4' | C1 | C11 | 59.1° | 30.1° |
C1 | C2 | C3 | H2 | 179.8° | 180.0° |
C2 | C1 | C11 | C15 | 0.2° | 0.1° |
C2 | C1 | C11 | C10 | 179.4° | 180.0° |
C1 | C2 | C3 | C12 | 2.3° | 0.0° |
C1 | C2 | C3 | H3 | 178.9° | 179.9° |
C11 | C1 | C2 | C3 | 2.4° | 0.0° |
C11 | C1 | C2 | H2 | 177.8° | 180.0° |
C1 | C11 | C15 | C10 | 179.6° | 179.9° |
C1 | C11 | C15 | C12 | 2.2° | 0.0° |
C1 | C11 | C15 | C16 | 178.4° | 180.0° |
C1 | C11 | C10 | C9 | 179.2° | 180.0° |
C1 | C11 | C10 | H10 | 0.2° | 0.1° |
C2 | C3 | C12 | C15 | 0.1° | 0.1° |
C2 | C3 | C12 | H3 | 178.8° | 179.9° |
C2 | C3 | C12 | C4 | 179.7° | 180.0° |
H2 | C2 | C3 | C12 | 178.0° | 179.9° |
H2 | C2 | C3 | H3 | 0.9° | 0.0° |
C11 | C15 | C12 | C16 | 179.4° | 180.0° |
C11 | C15 | C12 | C3 | 2.3° | 0.1° |
C11 | C15 | C12 | C4 | 178.1° | 180.0° |
C11 | C15 | C16 | C14 | 1.7° | 0.0° |
C11 | C15 | C16 | C13 | 177.2° | 180.0° |
C15 | C11 | C10 | C9 | 0.4° | 0.1° |
C15 | C11 | C10 | H10 | 179.8° | 180.0° |
C10 | C11 | C15 | C12 | 178.2° | 179.9° |
C10 | C11 | C15 | C16 | 1.2° | 0.0° |
C11 | C10 | C9 | H10 | 179.4° | 179.9° |
C11 | C10 | C9 | C14 | 0.2° | 0.0° |
C11 | C10 | C9 | H9 | 178.3° | 179.9° |
C15 | C12 | C3 | C4 | 179.5° | 179.9° |
C15 | C12 | C3 | H3 | 178.7° | 180.0° |
C12 | C15 | C16 | C14 | 177.7° | 180.0° |
C12 | C15 | C16 | C13 | 3.4° | 0.0° |
C15 | C12 | C4 | C5 | 5.3° | 0.0° |
C15 | C12 | C4 | H4 | 174.7° | 179.9° |
C16 | C15 | C12 | C3 | 178.3° | 180.0° |
C16 | C15 | C12 | C4 | 1.3° | 0.0° |
C15 | C16 | C14 | C13 | 178.9° | 180.0° |
C15 | C16 | C13 | C5 | 4.1° | 0.0° |
C15 | C16 | C14 | C9 | 1.5° | 0.0° |
C15 | C16 | C14 | C8 | 178.0° | 180.0° |
C15 | C16 | C13 | C6 | 177.0° | 180.0° |
C3 | C12 | C4 | C5 | 174.2° | 179.9° |
C3 | C12 | C4 | H4 | 5.7° | 0.0° |
H3 | C3 | C12 | C4 | 0.8° | 0.1° |
C12 | C4 | C5 | H4 | 179.9° | 179.9° |
C12 | C4 | C5 | C13 | 4.6° | 0.0° |
C12 | C4 | C5 | H5 | 176.3° | 179.9° |
C14 | C16 | C13 | C5 | 177.0° | 180.0° |
C16 | C14 | C9 | C10 | 0.7° | 0.0° |
C16 | C14 | C9 | C8 | 179.5° | 180.0° |
C16 | C14 | C9 | H9 | 177.8° | 180.0° |
C16 | C14 | C8 | C7 | 3.2° | 0.0° |
C16 | C14 | C8 | H8 | 177.3° | 180.0° |
C14 | C16 | C13 | C6 | 1.9° | 0.0° |
C16 | C13 | C5 | C4 | 0.0° | 0.0° |
C16 | C13 | C5 | C6 | 179.0° | 180.0° |
C16 | C13 | C5 | H5 | 179.1° | 179.9° |
C13 | C16 | C14 | C9 | 177.4° | 180.0° |
C13 | C16 | C14 | C8 | 3.0° | 0.0° |
C16 | C13 | C6 | C7 | 6.8° | 0.0° |
C16 | C13 | C6 | H6 | 175.8° | 180.0° |
C4 | C5 | C13 | H5 | 179.2° | 179.9° |
C4 | C5 | C13 | C6 | 179.0° | 180.0° |
C13 | C5 | C4 | H4 | 175.5° | 179.9° |
C5 | C13 | C6 | C7 | 172.1° | 180.0° |
C5 | C13 | C6 | H6 | 5.3° | 0.0° |
H5 | C5 | C4 | H4 | 3.6° | 0.1° |
H5 | C5 | C13 | C6 | 0.2° | 0.0° |
C10 | C9 | C14 | H9 | 178.5° | 180.0° |
C10 | C9 | C14 | C8 | 178.8° | 180.0° |
H10 | C10 | C9 | C14 | 179.6° | 179.9° |
H10 | C10 | C9 | H9 | 1.1° | 0.0° |
C9 | C14 | C8 | C7 | 177.3° | 180.0° |
C9 | C14 | C8 | H8 | 2.3° | 0.0° |
C8 | C14 | C9 | H9 | 2.7° | 0.1° |
C14 | C8 | C7 | H8 | 179.6° | 180.0° |
C14 | C8 | C7 | C6 | 1.7° | 0.0° |
C14 | C8 | C7 | H7 | 178.0° | 180.0° |
C8 | C7 | C6 | H7 | 179.7° | 179.9° |
C8 | C7 | C6 | C13 | 6.7° | 0.1° |
C8 | C7 | C6 | H6 | 175.8° | 180.0° |
H8 | C8 | C7 | C6 | 177.9° | 180.0° |
H8 | C8 | C7 | H7 | 2.4° | 0.0° |
C7 | C6 | C13 | H6 | 177.4° | 180.0° |
H7 | C7 | C6 | C13 | 172.9° | 180.0° |
H7 | C7 | C6 | H6 | 4.5° | 0.0° |