WG7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | P11 | doub | 1.48Å | 1.51Å | |
O13 | P11 | sing | 1.61Å | 1.50Å | |
P11 | O12 | sing | 1.61Å | 1.53Å | |
P11 | C10 | sing | 1.82Å | 1.85Å | |
C10 | C09 | sing | 1.53Å | 1.54Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
C15 | N16 | sing | 1.36Å | 1.32Å | Aromatic |
C15 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
C08 | N07 | sing | 1.47Å | 1.45Å | |
N16 | C03 | sing | 1.38Å | 1.34Å | Aromatic |
C06 | C05 | sing | 1.51Å | 1.53Å | |
C06 | N07 | sing | 1.47Å | 1.45Å | |
C05 | C04 | sing | 1.41Å | 1.41Å | Aromatic |
C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.41Å | 1.41Å | |
C04 | N17 | sing | 1.35Å | 1.35Å | |
O01 | C02 | doub | 1.22Å | 1.40Å | |
C02 | N19 | sing | 1.35Å | 1.33Å | |
N17 | C18 | doub | 1.30Å | 1.33Å | |
N19 | C18 | sing | 1.36Å | 1.33Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
N07 | H11 | sing | 1.01Å | 1.00Å | |
N16 | H13 | sing | 0.97Å | 1.00Å | |
N19 | H14 | sing | 0.97Å | 1.00Å | |
O12 | H15 | sing | 0.97Å | 0.95Å | |
O13 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | P11 | O13 | 107.6° | 109.5° |
O14 | P11 | O12 | 108.8° | 109.5° |
O14 | P11 | C10 | 110.7° | 109.5° |
O13 | P11 | O12 | 107.0° | 109.5° |
O13 | P11 | C10 | 112.1° | 109.5° |
P11 | O13 | H16 | 109.5° | 114.0° |
O12 | P11 | C10 | 110.5° | 109.4° |
P11 | O12 | H15 | 109.5° | 113.9° |
P11 | C10 | C09 | 110.9° | 109.4° |
P11 | C10 | H1 | 109.1° | 109.5° |
P11 | C10 | H2 | 109.1° | 109.4° |
C10 | C09 | C08 | 112.7° | 109.4° |
C09 | C10 | H1 | 109.1° | 109.5° |
C09 | C10 | H2 | 109.1° | 109.5° |
C10 | C09 | H8 | 108.7° | 109.5° |
C10 | C09 | H9 | 108.7° | 109.5° |
C09 | C08 | N07 | 111.7° | 109.5° |
C09 | C08 | H6 | 108.9° | 109.5° |
C09 | C08 | H7 | 108.9° | 109.5° |
C08 | C09 | H8 | 108.7° | 109.5° |
C08 | C09 | H9 | 108.7° | 109.5° |
N16 | C15 | C05 | 109.3° | 109.4° |
C15 | N16 | C03 | 110.3° | 108.8° |
N16 | C15 | H3 | 125.3° | 125.3° |
C15 | N16 | H13 | 124.9° | 125.6° |
C15 | C05 | C06 | 126.6° | 126.0° |
C15 | C05 | C04 | 105.4° | 107.9° |
C05 | C15 | H3 | 125.3° | 125.3° |
C08 | N07 | C06 | 109.5° | 111.0° |
N07 | C08 | H6 | 108.9° | 109.4° |
N07 | C08 | H7 | 108.9° | 109.5° |
C08 | N07 | H11 | 109.5° | 111.0° |
N16 | C03 | C04 | 108.2° | 107.3° |
N16 | C03 | C02 | 131.8° | 134.2° |
C03 | N16 | H13 | 124.9° | 125.6° |
C05 | C06 | N07 | 112.3° | 109.5° |
C06 | C05 | C04 | 128.0° | 126.1° |
C05 | C06 | H4 | 108.8° | 109.5° |
C05 | C06 | H5 | 108.8° | 109.5° |
N07 | C06 | H4 | 108.8° | 109.5° |
N07 | C06 | H5 | 108.8° | 109.5° |
C06 | N07 | H11 | 109.4° | 111.0° |
C05 | C04 | C03 | 106.8° | 106.6° |
C05 | C04 | N17 | 134.5° | 134.0° |
C04 | C03 | C02 | 120.0° | 118.5° |
C03 | C04 | N17 | 118.7° | 119.4° |
C03 | C02 | O01 | 120.7° | 120.8° |
C03 | C02 | N19 | 117.1° | 118.4° |
C04 | N17 | C18 | 120.3° | 121.0° |
O01 | C02 | N19 | 122.2° | 120.8° |
C02 | N19 | C18 | 122.2° | 120.6° |
C02 | N19 | H14 | 118.9° | 119.7° |
N17 | C18 | N19 | 121.7° | 122.1° |
N17 | C18 | H10 | 119.2° | 119.0° |
N19 | C18 | H10 | 119.1° | 118.9° |
C18 | N19 | H14 | 118.9° | 119.7° |
H1 | C10 | H2 | 109.5° | 109.5° |
H4 | C06 | H5 | 109.5° | 109.4° |
H6 | C08 | H7 | 109.5° | 109.5° |
H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | P11 | O13 | O12 | 116.8° | 120.0° |
O14 | P11 | O13 | C10 | 121.9° | 120.0° |
O14 | P11 | O12 | C10 | 121.7° | 120.0° |
O14 | P11 | C10 | C09 | 124.4° | 55.0° |
O14 | P11 | C10 | H1 | 115.4° | 175.0° |
O14 | P11 | C10 | H2 | 4.2° | 65.0° |
O14 | P11 | O12 | H15 | 0.0° | 180.0° |
O14 | P11 | O13 | H16 | 0.0° | 60.0° |
O13 | P11 | O12 | C10 | 122.3° | 120.0° |
O13 | P11 | C10 | C09 | 115.5° | 175.0° |
O13 | P11 | C10 | H1 | 4.7° | 65.0° |
O13 | P11 | C10 | H2 | 124.3° | 55.0° |
O13 | P11 | O12 | H15 | 116.0° | 60.0° |
O12 | P11 | C10 | C09 | 3.8° | 65.0° |
O12 | P11 | C10 | H1 | 124.0° | 55.0° |
O12 | P11 | C10 | H2 | 116.5° | 175.0° |
O12 | P11 | O13 | H16 | 116.8° | 60.0° |
P11 | C10 | C09 | H1 | 120.3° | 120.0° |
P11 | C10 | C09 | H2 | 120.2° | 120.0° |
P11 | C10 | C09 | C08 | 119.1° | 180.0° |
P11 | C10 | H1 | H2 | 119.3° | 120.0° |
P11 | C10 | C09 | H8 | 1.3° | 60.1° |
P11 | C10 | C09 | H9 | 120.4° | 60.0° |
C10 | P11 | O12 | H15 | 121.7° | 60.0° |
C10 | P11 | O13 | H16 | 121.9° | 180.0° |
C10 | C09 | C08 | H8 | 120.4° | 120.0° |
C10 | C09 | C08 | H9 | 120.5° | 120.0° |
C10 | C09 | C08 | N07 | 75.6° | 180.0° |
C09 | C10 | H1 | H2 | 119.3° | 120.0° |
C10 | C09 | C08 | H6 | 44.7° | 60.1° |
C10 | C09 | C08 | H7 | 164.1° | 60.0° |
C10 | C09 | H8 | H9 | 118.5° | 120.1° |
C09 | C08 | N07 | H6 | 120.3° | 120.0° |
C09 | C08 | N07 | H7 | 120.3° | 120.0° |
C09 | C08 | N07 | C06 | 118.2° | 180.0° |
C08 | C09 | C10 | H1 | 120.6° | 60.0° |
C08 | C09 | C10 | H2 | 1.1° | 60.0° |
C09 | C08 | H6 | H7 | 119.0° | 120.0° |
C08 | C09 | H8 | H9 | 118.6° | 120.0° |
C09 | C08 | N07 | H11 | 121.8° | 56.0° |
N16 | C15 | C05 | H3 | 180.0° | 179.8° |
C15 | N16 | C03 | H13 | 180.0° | 179.9° |
N16 | C15 | C05 | C06 | 179.6° | 179.9° |
N16 | C15 | C05 | C04 | 0.4° | 0.0° |
C15 | N16 | C03 | C04 | 0.1° | 0.0° |
C15 | N16 | C03 | C02 | 179.9° | 179.9° |
C05 | C15 | N16 | C03 | 0.3° | 0.0° |
C15 | C05 | C06 | C04 | 179.0° | 180.0° |
C15 | C05 | C06 | N07 | 105.6° | 100.0° |
C15 | C05 | C04 | C03 | 0.4° | 0.0° |
C15 | C05 | C04 | N17 | 180.0° | 180.0° |
C15 | C05 | C06 | H4 | 14.9° | 20.1° |
C15 | C05 | C06 | H5 | 134.0° | 140.0° |
C05 | C15 | N16 | H13 | 179.7° | 180.0° |
C08 | N07 | C06 | C05 | 69.5° | 180.0° |
C08 | N07 | C06 | H11 | 120.0° | 123.9° |
C08 | N07 | C06 | H4 | 51.0° | 59.9° |
C08 | N07 | C06 | H5 | 170.1° | 60.0° |
N07 | C08 | H6 | H7 | 119.0° | 120.0° |
N07 | C08 | C09 | H8 | 164.0° | 60.0° |
N07 | C08 | C09 | H9 | 44.9° | 60.0° |
N16 | C03 | C04 | C05 | 0.2° | 0.0° |
N16 | C03 | C04 | C02 | 180.0° | 180.0° |
N16 | C03 | C04 | N17 | 179.9° | 180.0° |
N16 | C03 | C02 | O01 | 0.2° | 0.0° |
N16 | C03 | C02 | N19 | 179.9° | 179.9° |
C03 | N16 | C15 | H3 | 179.6° | 179.7° |
C05 | C06 | N07 | H4 | 120.4° | 120.1° |
C05 | C06 | N07 | H5 | 120.4° | 120.0° |
C06 | C05 | C04 | C03 | 179.5° | 179.9° |
C06 | C05 | C04 | N17 | 0.9° | 0.0° |
C06 | C05 | C15 | H3 | 0.4° | 0.3° |
C05 | C06 | H4 | H5 | 118.7° | 119.9° |
C05 | C06 | N07 | H11 | 50.5° | 56.1° |
N07 | C06 | C05 | C04 | 75.5° | 80.0° |
N07 | C06 | H4 | H5 | 118.7° | 120.0° |
C06 | N07 | C08 | H6 | 2.1° | 60.1° |
C06 | N07 | C08 | H7 | 121.4° | 60.0° |
C05 | C04 | C03 | N17 | 179.7° | 180.0° |
C05 | C04 | C03 | C02 | 179.8° | 180.0° |
C05 | C04 | N17 | C18 | 179.9° | 180.0° |
C04 | C05 | C15 | H3 | 179.5° | 179.7° |
C04 | C05 | C06 | H4 | 164.1° | 160.0° |
C04 | C05 | C06 | H5 | 45.0° | 40.0° |
C04 | C03 | C02 | O01 | 179.8° | 179.9° |
C04 | C03 | C02 | N19 | 0.1° | 0.0° |
C03 | C04 | N17 | C18 | 0.4° | 0.0° |
C04 | C03 | N16 | H13 | 179.9° | 179.9° |
C02 | C03 | C04 | N17 | 0.1° | 0.1° |
C03 | C02 | O01 | N19 | 179.7° | 179.9° |
C03 | C02 | N19 | C18 | 0.2° | 0.1° |
C02 | C03 | N16 | H13 | 0.1° | 0.0° |
C03 | C02 | N19 | H14 | 179.8° | 179.9° |
C04 | N17 | C18 | N19 | 0.3° | 0.1° |
C04 | N17 | C18 | H10 | 179.6° | 180.0° |
O01 | C02 | N19 | C18 | 179.9° | 180.0° |
O01 | C02 | N19 | H14 | 0.1° | 0.1° |
C02 | N19 | C18 | N17 | 0.1° | 0.2° |
C02 | N19 | C18 | H14 | 180.0° | 179.8° |
C02 | N19 | C18 | H10 | 179.9° | 179.9° |
N17 | C18 | N19 | H10 | 180.0° | 180.0° |
N17 | C18 | N19 | H14 | 180.0° | 180.0° |
H1 | C10 | C09 | H8 | 118.9° | 59.9° |
H1 | C10 | C09 | H9 | 0.1° | 180.0° |
H2 | C10 | C09 | H8 | 121.5° | 180.0° |
H2 | C10 | C09 | H9 | 119.4° | 60.0° |
H3 | C15 | N16 | H13 | 0.4° | 0.2° |
H4 | C06 | N07 | H11 | 171.0° | 64.0° |
H5 | C06 | N07 | H11 | 69.9° | 176.0° |
H6 | C08 | C09 | H8 | 75.7° | 180.0° |
H6 | C08 | C09 | H9 | 165.2° | 59.9° |
H6 | C08 | N07 | H11 | 117.9° | 176.0° |
H7 | C08 | C09 | H8 | 43.6° | 60.0° |
H7 | C08 | C09 | H9 | 75.5° | 180.0° |
H7 | C08 | N07 | H11 | 1.5° | 64.0° |
H10 | C18 | N19 | H14 | 0.0° | 0.1° |