GEU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O23 | C19 | doub | 1.22Å | 1.34Å | |
O18 | C16 | doub | 1.22Å | 1.18Å | |
C11 | C06 | sing | 1.51Å | 1.51Å | |
C19 | N20 | sing | 1.35Å | 1.36Å | |
C19 | C17 | sing | 1.47Å | 1.31Å | |
C24 | N20 | sing | 1.47Å | 1.41Å | |
C16 | C17 | sing | 1.47Å | 1.50Å | |
C16 | C01 | sing | 1.48Å | 1.53Å | |
N20 | N21 | sing | 1.40Å | 1.34Å | |
C17 | C22 | doub | 1.38Å | 1.41Å | |
O12 | C10 | doub | 1.22Å | 1.38Å | |
C06 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.48Å | Aromatic |
C01 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
N21 | C22 | sing | 1.35Å | 1.32Å | |
C10 | C05 | sing | 1.47Å | 1.53Å | |
C10 | N09 | sing | 1.35Å | 1.38Å | |
C22 | C25 | sing | 1.51Å | 1.50Å | |
C29 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
C29 | C28 | sing | 1.38Å | 1.35Å | Aromatic |
C05 | C04 | doub | 1.41Å | 1.30Å | Aromatic |
C30 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
C02 | C03 | doub | 1.37Å | 1.38Å | Aromatic |
C28 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
C13 | N09 | sing | 1.40Å | 1.41Å | |
C13 | C26 | doub | 1.39Å | 1.33Å | Aromatic |
N09 | C08 | sing | 1.34Å | 1.38Å | |
C04 | C03 | sing | 1.39Å | 1.49Å | Aromatic |
C04 | N07 | sing | 1.38Å | 1.45Å | |
C27 | C26 | sing | 1.38Å | 1.35Å | Aromatic |
C27 | CL1 | sing | 1.74Å | 1.71Å | |
C08 | N07 | sing | 1.34Å | 1.41Å | |
C08 | O14 | doub | 1.22Å | 1.36Å | |
N07 | C15 | sing | 1.47Å | 1.42Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C24 | H4 | sing | 1.09Å | 1.10Å | |
C24 | H5 | sing | 1.09Å | 1.10Å | |
C24 | H6 | sing | 1.09Å | 1.10Å | |
C26 | H7 | sing | 1.08Å | 1.08Å | |
C28 | H8 | sing | 1.08Å | 1.08Å | |
C02 | H9 | sing | 1.08Å | 1.08Å | |
C03 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C29 | H17 | sing | 1.08Å | 1.08Å | |
C30 | H18 | sing | 1.08Å | 1.08Å | |
N21 | H19 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O23 | C19 | N20 | 127.0° | 126.8° |
O23 | C19 | C17 | 123.7° | 126.7° |
O18 | C16 | C17 | 116.2° | 120.0° |
O18 | C16 | C01 | 126.6° | 120.0° |
C11 | C06 | C01 | 122.1° | 120.4° |
C11 | C06 | C05 | 117.4° | 120.3° |
C06 | C11 | H11 | 109.5° | 109.5° |
C06 | C11 | H12 | 109.5° | 109.5° |
C06 | C11 | H13 | 109.5° | 109.4° |
N20 | C19 | C17 | 109.1° | 106.5° |
C19 | N20 | C24 | 124.6° | 125.7° |
C19 | N20 | N21 | 107.8° | 108.6° |
C19 | C17 | C16 | 122.4° | 126.8° |
C19 | C17 | C22 | 106.6° | 106.5° |
C24 | N20 | N21 | 127.6° | 125.7° |
N20 | C24 | H4 | 109.5° | 109.5° |
N20 | C24 | H5 | 109.4° | 109.5° |
N20 | C24 | H6 | 109.5° | 109.4° |
C17 | C16 | C01 | 115.6° | 120.0° |
C16 | C17 | C22 | 130.8° | 126.7° |
C16 | C01 | C06 | 126.8° | 120.0° |
C16 | C01 | C02 | 115.1° | 119.9° |
N20 | N21 | C22 | 108.8° | 110.0° |
N20 | N21 | H19 | 109.6° | 125.0° |
C17 | C22 | N21 | 107.6° | 108.4° |
C17 | C22 | C25 | 129.2° | 125.8° |
O12 | C10 | C05 | 123.9° | 120.9° |
O12 | C10 | N09 | 116.2° | 120.9° |
C01 | C06 | C05 | 120.5° | 119.3° |
C06 | C01 | C02 | 118.2° | 120.1° |
C06 | C05 | C10 | 121.7° | 121.7° |
C06 | C05 | C04 | 119.8° | 120.0° |
C01 | C02 | C03 | 122.6° | 120.7° |
C01 | C02 | H9 | 118.7° | 119.7° |
N21 | C22 | C25 | 123.2° | 125.8° |
C22 | N21 | H19 | 109.7° | 125.0° |
C05 | C10 | N09 | 119.8° | 118.2° |
C10 | C05 | C04 | 118.5° | 118.3° |
C10 | N09 | C13 | 121.5° | 119.4° |
C10 | N09 | C08 | 120.1° | 121.2° |
C22 | C25 | H14 | 109.5° | 109.5° |
C22 | C25 | H15 | 109.5° | 109.4° |
C22 | C25 | H16 | 109.5° | 109.5° |
C30 | C29 | C28 | 118.8° | 120.1° |
C29 | C30 | C13 | 123.0° | 119.9° |
C30 | C29 | H17 | 120.6° | 120.0° |
C29 | C30 | H18 | 118.5° | 120.0° |
C29 | C28 | C27 | 115.6° | 120.1° |
C29 | C28 | H8 | 122.2° | 119.9° |
C28 | C29 | H17 | 120.6° | 120.0° |
C05 | C04 | C03 | 120.9° | 119.9° |
C05 | C04 | N07 | 120.9° | 118.7° |
C30 | C13 | N09 | 119.2° | 120.0° |
C30 | C13 | C26 | 119.0° | 119.9° |
C13 | C30 | H18 | 118.5° | 120.1° |
C02 | C03 | C04 | 118.1° | 120.1° |
C03 | C02 | H9 | 118.7° | 119.7° |
C02 | C03 | H10 | 121.0° | 120.0° |
C28 | C27 | C26 | 126.6° | 120.1° |
C28 | C27 | CL1 | 120.7° | 120.0° |
C27 | C28 | H8 | 122.2° | 120.0° |
N09 | C13 | C26 | 121.8° | 120.1° |
C13 | N09 | C08 | 118.4° | 119.4° |
C13 | C26 | C27 | 117.0° | 119.9° |
C13 | C26 | H7 | 121.5° | 120.0° |
N09 | C08 | N07 | 120.5° | 122.9° |
N09 | C08 | O14 | 118.9° | 118.6° |
C03 | C04 | N07 | 118.2° | 121.5° |
C04 | C03 | H10 | 121.0° | 120.0° |
C04 | N07 | C08 | 120.2° | 120.7° |
C04 | N07 | C15 | 119.5° | 119.6° |
C26 | C27 | CL1 | 112.7° | 120.0° |
C27 | C26 | H7 | 121.5° | 120.0° |
N07 | C08 | O14 | 120.7° | 118.5° |
C08 | N07 | C15 | 120.3° | 119.6° |
N07 | C15 | H1 | 109.5° | 109.5° |
N07 | C15 | H2 | 109.5° | 109.5° |
N07 | C15 | H3 | 109.5° | 109.5° |
H1 | C15 | H2 | 109.5° | 109.5° |
H1 | C15 | H3 | 109.5° | 109.4° |
H2 | C15 | H3 | 109.4° | 109.5° |
H4 | C24 | H5 | 109.4° | 109.5° |
H4 | C24 | H6 | 109.4° | 109.5° |
H5 | C24 | H6 | 109.5° | 109.5° |
H11 | C11 | H12 | 109.5° | 109.5° |
H11 | C11 | H13 | 109.5° | 109.5° |
H12 | C11 | H13 | 109.4° | 109.5° |
H14 | C25 | H15 | 109.4° | 109.5° |
H14 | C25 | H16 | 109.5° | 109.4° |
H15 | C25 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O23 | C19 | N20 | C17 | 176.3° | 179.8° |
O23 | C19 | N20 | C24 | 2.7° | 0.2° |
O23 | C19 | C17 | C16 | 8.3° | 0.0° |
O23 | C19 | N20 | N21 | 175.8° | 180.0° |
O23 | C19 | C17 | C22 | 176.2° | 179.8° |
O18 | C16 | C17 | C19 | 8.1° | 175.7° |
O18 | C16 | C17 | C01 | 166.7° | 180.0° |
O18 | C16 | C17 | C22 | 177.6° | 4.6° |
O18 | C16 | C01 | C06 | 65.6° | 104.8° |
O18 | C16 | C01 | C02 | 112.3° | 75.2° |
C11 | C06 | C01 | C16 | 2.0° | 0.0° |
C11 | C06 | C01 | C05 | 179.8° | 180.0° |
C11 | C06 | C01 | C02 | 179.8° | 180.0° |
C11 | C06 | C05 | C10 | 0.8° | 0.1° |
C11 | C06 | C05 | C04 | 179.4° | 180.0° |
C06 | C11 | H11 | H12 | 120.0° | 120.0° |
C06 | C11 | H11 | H13 | 120.0° | 120.0° |
C06 | C11 | H12 | H13 | 120.0° | 120.0° |
C19 | N20 | C24 | N21 | 178.1° | 179.7° |
N20 | C19 | C17 | C16 | 175.3° | 179.8° |
N20 | C19 | C17 | C22 | 0.3° | 0.0° |
C19 | N20 | N21 | C22 | 0.6° | 0.5° |
C19 | N20 | C24 | H4 | 180.0° | 89.9° |
C19 | N20 | C24 | H5 | 60.0° | 150.0° |
C19 | N20 | C24 | H6 | 60.0° | 30.0° |
C19 | N20 | N21 | H19 | 119.4° | 179.8° |
C17 | C19 | N20 | C24 | 178.9° | 180.0° |
C19 | C17 | C16 | C22 | 174.4° | 179.7° |
C19 | C17 | C16 | C01 | 174.8° | 4.4° |
C17 | C19 | N20 | N21 | 0.5° | 0.3° |
C19 | C17 | C22 | N21 | 0.1° | 0.3° |
C19 | C17 | C22 | C25 | 179.1° | 179.8° |
C24 | N20 | N21 | C22 | 178.9° | 179.8° |
N20 | C24 | H4 | H5 | 120.0° | 120.0° |
N20 | C24 | H4 | H6 | 120.0° | 119.9° |
N20 | C24 | H5 | H6 | 120.0° | 119.9° |
C24 | N20 | N21 | H19 | 59.0° | 0.1° |
C17 | C16 | C01 | C06 | 99.6° | 75.2° |
C17 | C16 | C01 | C02 | 82.6° | 104.8° |
C16 | C17 | C22 | N21 | 175.1° | 179.9° |
C16 | C17 | C22 | C25 | 4.1° | 0.0° |
C01 | C16 | C17 | C22 | 10.9° | 175.4° |
C16 | C01 | C06 | C02 | 177.8° | 180.0° |
C16 | C01 | C06 | C05 | 177.8° | 180.0° |
C16 | C01 | C02 | C03 | 178.0° | 179.9° |
C16 | C01 | C02 | H9 | 2.0° | 0.0° |
N20 | N21 | C22 | C17 | 0.4° | 0.5° |
N20 | N21 | C22 | H19 | 119.9° | 179.7° |
N20 | N21 | C22 | C25 | 178.8° | 179.6° |
N21 | N20 | C24 | H4 | 1.9° | 90.4° |
N21 | N20 | C24 | H5 | 118.1° | 29.7° |
N21 | N20 | C24 | H6 | 121.9° | 149.7° |
C17 | C22 | N21 | C25 | 179.2° | 180.0° |
C17 | C22 | C25 | H14 | 180.0° | 90.0° |
C17 | C22 | C25 | H15 | 60.0° | 150.0° |
C17 | C22 | C25 | H16 | 60.0° | 30.0° |
C17 | C22 | N21 | H19 | 119.5° | 179.8° |
O12 | C10 | C05 | C06 | 0.6° | 0.3° |
O12 | C10 | C05 | N09 | 178.6° | 179.7° |
O12 | C10 | C05 | C04 | 179.6° | 179.7° |
O12 | C10 | N09 | C13 | 1.0° | 0.3° |
O12 | C10 | N09 | C08 | 180.0° | 179.7° |
C01 | C06 | C05 | C10 | 179.3° | 180.0° |
C01 | C06 | C05 | C04 | 0.5° | 0.1° |
C06 | C01 | C02 | C03 | 0.0° | 0.1° |
C06 | C01 | C02 | H9 | 180.0° | 180.0° |
C01 | C06 | C11 | H11 | 90.1° | 95.5° |
C01 | C06 | C11 | H12 | 149.9° | 144.5° |
C01 | C06 | C11 | H13 | 29.9° | 24.5° |
C05 | C06 | C01 | C02 | 0.1° | 0.0° |
C06 | C05 | C10 | C04 | 179.8° | 179.9° |
C06 | C05 | C10 | N09 | 179.2° | 180.0° |
C06 | C05 | C04 | C03 | 0.8° | 0.0° |
C06 | C05 | C04 | N07 | 179.9° | 180.0° |
C05 | C06 | C11 | H11 | 90.1° | 84.5° |
C05 | C06 | C11 | H12 | 29.9° | 35.5° |
C05 | C06 | C11 | H13 | 149.9° | 155.5° |
C01 | C02 | C03 | H9 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.3° | 0.1° |
C01 | C02 | C03 | H10 | 179.7° | 180.0° |
N21 | C22 | C25 | H14 | 0.9° | 90.0° |
N21 | C22 | C25 | H15 | 119.1° | 30.1° |
N21 | C22 | C25 | H16 | 120.9° | 150.1° |
C05 | C10 | N09 | C13 | 177.7° | 180.0° |
C05 | C10 | N09 | C08 | 1.3° | 0.0° |
C10 | C05 | C04 | C03 | 179.0° | 180.0° |
C10 | C05 | C04 | N07 | 0.3° | 0.0° |
N09 | C10 | C05 | C04 | 1.0° | 0.1° |
C10 | N09 | C13 | C30 | 95.9° | 108.7° |
C10 | N09 | C13 | C08 | 179.0° | 180.0° |
C10 | N09 | C13 | C26 | 86.1° | 71.0° |
C10 | N09 | C08 | N07 | 0.8° | 0.0° |
C10 | N09 | C08 | O14 | 178.8° | 179.9° |
C22 | C25 | H14 | H15 | 120.0° | 120.0° |
C22 | C25 | H14 | H16 | 120.0° | 120.0° |
C22 | C25 | H15 | H16 | 120.0° | 120.0° |
C25 | C22 | N21 | H19 | 61.3° | 0.2° |
C30 | C29 | C28 | H17 | 180.0° | 179.9° |
C29 | C30 | C13 | H18 | 180.0° | 180.0° |
C30 | C29 | C28 | C27 | 0.4° | 0.2° |
C29 | C30 | C13 | N09 | 178.8° | 180.0° |
C29 | C30 | C13 | C26 | 0.7° | 0.3° |
C30 | C29 | C28 | H8 | 179.6° | 179.9° |
C28 | C29 | C30 | C13 | 0.7° | 0.0° |
C29 | C28 | C27 | H8 | 180.0° | 179.7° |
C29 | C28 | C27 | C26 | 0.2° | 0.3° |
C29 | C28 | C27 | CL1 | 178.0° | 179.8° |
C28 | C29 | C30 | H18 | 179.3° | 180.0° |
C05 | C04 | C03 | C02 | 0.7° | 0.0° |
C05 | C04 | C03 | N07 | 179.3° | 180.0° |
C05 | C04 | N07 | C08 | 0.2° | 0.0° |
C05 | C04 | N07 | C15 | 179.4° | 180.0° |
C05 | C04 | C03 | H10 | 179.3° | 180.0° |
C30 | C13 | N09 | C26 | 178.0° | 179.7° |
C30 | C13 | N09 | C08 | 83.1° | 71.3° |
C30 | C13 | C26 | C27 | 0.4° | 0.2° |
C30 | C13 | C26 | H7 | 179.5° | 179.7° |
C13 | C30 | C29 | H17 | 179.3° | 179.9° |
C02 | C03 | C04 | H10 | 180.0° | 179.9° |
C02 | C03 | C04 | N07 | 180.0° | 180.0° |
C28 | C27 | C26 | C13 | 0.2° | 0.0° |
C28 | C27 | C26 | CL1 | 178.4° | 179.9° |
C28 | C27 | C26 | H7 | 179.7° | 180.0° |
C27 | C28 | C29 | H17 | 179.6° | 179.7° |
N09 | C13 | C26 | C27 | 178.5° | 180.0° |
C13 | N09 | C08 | N07 | 178.2° | 179.9° |
C13 | N09 | C08 | O14 | 2.2° | 0.0° |
N09 | C13 | C26 | H7 | 1.5° | 0.0° |
N09 | C13 | C30 | H18 | 1.2° | 0.0° |
C26 | C13 | N09 | C08 | 95.0° | 109.0° |
C13 | C26 | C27 | H7 | 180.0° | 180.0° |
C13 | C26 | C27 | CL1 | 178.1° | 180.0° |
C26 | C13 | C30 | H18 | 179.3° | 179.8° |
N09 | C08 | N07 | C04 | 0.1° | 0.1° |
N09 | C08 | N07 | O14 | 179.6° | 179.9° |
N09 | C08 | N07 | C15 | 179.6° | 180.0° |
C03 | C04 | N07 | C08 | 179.5° | 180.0° |
C03 | C04 | N07 | C15 | 0.1° | 0.0° |
C04 | C03 | C02 | H9 | 179.7° | 180.0° |
C04 | N07 | C08 | C15 | 179.6° | 180.0° |
C04 | N07 | C08 | O14 | 179.5° | 180.0° |
C04 | N07 | C15 | H1 | 180.0° | 90.0° |
C04 | N07 | C15 | H2 | 60.0° | 150.0° |
C04 | N07 | C15 | H3 | 60.0° | 30.0° |
N07 | C04 | C03 | H10 | 0.0° | 0.0° |
C26 | C27 | C28 | H8 | 179.8° | 180.0° |
CL1 | C27 | C26 | H7 | 1.9° | 0.0° |
CL1 | C27 | C28 | H8 | 2.0° | 0.1° |
C08 | N07 | C15 | H1 | 0.5° | 90.0° |
C08 | N07 | C15 | H2 | 119.6° | 30.0° |
C08 | N07 | C15 | H3 | 120.5° | 150.0° |
O14 | C08 | N07 | C15 | 0.0° | 0.1° |
N07 | C15 | H1 | H2 | 120.0° | 120.0° |
N07 | C15 | H1 | H3 | 120.0° | 120.0° |
N07 | C15 | H2 | H3 | 120.0° | 120.0° |
H1 | C15 | H2 | H3 | 120.0° | 120.0° |
H4 | C24 | H5 | H6 | 120.0° | 120.0° |
H8 | C28 | C29 | H17 | 0.4° | 0.0° |
H9 | C02 | C03 | H10 | 0.3° | 0.1° |
H11 | C11 | H12 | H13 | 120.0° | 120.0° |
H14 | C25 | H15 | H16 | 120.0° | 120.0° |
H17 | C29 | C30 | H18 | 0.7° | 0.1° |