G3V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O29 | C27 | doub | 1.21Å | 1.24Å | |
C27 | O28 | sing | 1.34Å | 1.28Å | |
C27 | C21 | sing | 1.51Å | 1.58Å | |
C21 | C22 | sing | 1.53Å | 1.55Å | |
C21 | N20 | sing | 1.46Å | 1.47Å | |
O25 | C24 | doub | 1.21Å | 1.26Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C23 | C24 | sing | 1.51Å | 1.57Å | |
N20 | C18 | sing | 1.35Å | 1.30Å | |
C24 | O26 | sing | 1.34Å | 1.26Å | |
O19 | C18 | doub | 1.22Å | 1.24Å | |
C18 | C15 | sing | 1.48Å | 1.52Å | |
C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | N09 | sing | 1.39Å | 1.44Å | |
C06 | N05 | doub | 1.32Å | 1.30Å | Aromatic |
C06 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
N05 | C04 | sing | 1.34Å | 1.37Å | Aromatic |
C08 | N09 | sing | 1.46Å | 1.47Å | |
C08 | C07 | sing | 1.51Å | 1.52Å | |
N09 | C10 | sing | 1.47Å | 1.42Å | |
C07 | N30 | doub | 1.32Å | 1.31Å | Aromatic |
C04 | N03 | doub | 1.34Å | 1.35Å | Aromatic |
C04 | C31 | sing | 1.42Å | 1.39Å | Aromatic |
N03 | C02 | sing | 1.32Å | 1.32Å | Aromatic |
N30 | C31 | sing | 1.33Å | 1.35Å | Aromatic |
C31 | C32 | doub | 1.46Å | 1.44Å | Aromatic |
C10 | O11 | sing | 1.43Å | 1.43Å | |
C02 | N01 | sing | 1.38Å | 1.35Å | |
C02 | N34 | doub | 1.33Å | 1.36Å | Aromatic |
C32 | N34 | sing | 1.33Å | 1.31Å | Aromatic |
C32 | N33 | sing | 1.38Å | 1.34Å | |
C06 | H1 | sing | 1.08Å | 1.08Å | |
C08 | H2 | sing | 1.09Å | 1.10Å | |
C08 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
N01 | H15 | sing | 0.97Å | 1.00Å | |
N01 | H16 | sing | 0.97Å | 1.00Å | |
N20 | H17 | sing | 0.97Å | 1.00Å | |
N33 | H18 | sing | 0.97Å | 1.00Å | |
N33 | H19 | sing | 0.97Å | 1.00Å | |
O11 | H20 | sing | 0.97Å | 0.95Å | |
O26 | H21 | sing | 0.97Å | 0.95Å | |
O28 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O29 | C27 | O28 | 128.0° | 120.0° |
O29 | C27 | C21 | 115.8° | 120.0° |
O28 | C27 | C21 | 116.2° | 120.0° |
C27 | O28 | H22 | 109.5° | 117.0° |
C27 | C21 | C22 | 117.8° | 109.5° |
C27 | C21 | N20 | 106.1° | 109.5° |
C27 | C21 | H10 | 106.1° | 109.4° |
C22 | C21 | N20 | 112.4° | 109.5° |
C21 | C22 | C23 | 119.1° | 109.4° |
C22 | C21 | H10 | 106.5° | 109.5° |
C21 | C22 | H11 | 107.0° | 109.5° |
C21 | C22 | H12 | 107.0° | 109.5° |
C21 | N20 | C18 | 123.3° | 120.0° |
N20 | C21 | H10 | 107.4° | 109.5° |
C21 | N20 | H17 | 118.3° | 120.0° |
O25 | C24 | C23 | 115.4° | 120.0° |
O25 | C24 | O26 | 128.1° | 120.1° |
C22 | C23 | C24 | 108.4° | 109.5° |
C23 | C22 | H11 | 107.0° | 109.5° |
C23 | C22 | H12 | 107.0° | 109.4° |
C22 | C23 | H13 | 109.7° | 109.5° |
C22 | C23 | H14 | 109.7° | 109.5° |
C23 | C24 | O26 | 116.4° | 120.0° |
C24 | C23 | H13 | 109.7° | 109.5° |
C24 | C23 | H14 | 109.7° | 109.4° |
N20 | C18 | O19 | 125.6° | 120.0° |
N20 | C18 | C15 | 115.7° | 120.0° |
C18 | N20 | H17 | 118.4° | 120.0° |
C24 | O26 | H21 | 109.5° | 117.0° |
O19 | C18 | C15 | 118.7° | 120.0° |
C18 | C15 | C16 | 123.7° | 120.0° |
C18 | C15 | C14 | 116.9° | 120.1° |
C16 | C15 | C14 | 119.3° | 119.9° |
C15 | C16 | C17 | 120.5° | 119.9° |
C15 | C16 | H8 | 119.8° | 120.1° |
C15 | C14 | C13 | 120.1° | 120.0° |
C15 | C14 | H7 | 120.0° | 120.0° |
C16 | C17 | C12 | 120.4° | 120.1° |
C17 | C16 | H8 | 119.8° | 120.0° |
C16 | C17 | H9 | 119.8° | 119.9° |
C14 | C13 | C12 | 120.6° | 120.0° |
C14 | C13 | H6 | 119.7° | 119.9° |
C13 | C14 | H7 | 120.0° | 120.0° |
C17 | C12 | C13 | 119.2° | 120.2° |
C17 | C12 | N09 | 122.5° | 119.9° |
C12 | C17 | H9 | 119.8° | 120.0° |
C13 | C12 | N09 | 118.3° | 119.9° |
C12 | C13 | H6 | 119.7° | 120.0° |
C12 | N09 | C08 | 122.8° | 120.0° |
C12 | N09 | C10 | 116.5° | 120.0° |
N05 | C06 | C07 | 123.0° | 120.9° |
C06 | N05 | C04 | 118.2° | 119.5° |
N05 | C06 | H1 | 118.5° | 119.6° |
C06 | C07 | C08 | 122.4° | 119.7° |
C06 | C07 | N30 | 119.2° | 120.6° |
C07 | C06 | H1 | 118.5° | 119.5° |
N05 | C04 | N03 | 118.9° | 121.9° |
N05 | C04 | C31 | 118.6° | 119.4° |
N09 | C08 | C07 | 113.5° | 109.4° |
C08 | N09 | C10 | 120.7° | 120.0° |
N09 | C08 | H2 | 108.4° | 109.5° |
N09 | C08 | H3 | 108.5° | 109.5° |
C08 | C07 | N30 | 118.4° | 119.7° |
C07 | C08 | H2 | 108.5° | 109.5° |
C07 | C08 | H3 | 108.5° | 109.4° |
N09 | C10 | O11 | 112.0° | 109.5° |
N09 | C10 | H4 | 108.9° | 109.5° |
N09 | C10 | H5 | 108.8° | 109.5° |
C07 | N30 | C31 | 118.4° | 119.5° |
N03 | C04 | C31 | 122.5° | 118.6° |
C04 | N03 | C02 | 116.3° | 121.1° |
C04 | C31 | N30 | 122.6° | 120.1° |
C04 | C31 | C32 | 116.7° | 117.8° |
N03 | C02 | N01 | 118.4° | 118.3° |
N03 | C02 | N34 | 125.8° | 123.5° |
N30 | C31 | C32 | 120.7° | 122.1° |
C31 | C32 | N34 | 119.7° | 117.7° |
C31 | C32 | N33 | 118.9° | 121.1° |
O11 | C10 | H4 | 108.8° | 109.4° |
O11 | C10 | H5 | 108.8° | 109.4° |
C10 | O11 | H20 | 109.5° | 114.0° |
N01 | C02 | N34 | 115.8° | 118.2° |
C02 | N01 | H15 | 109.5° | 120.0° |
C02 | N01 | H16 | 109.5° | 120.0° |
C02 | N34 | C32 | 119.1° | 121.2° |
N34 | C32 | N33 | 121.4° | 121.2° |
C32 | N33 | H18 | 109.5° | 120.0° |
C32 | N33 | H19 | 109.5° | 120.0° |
H2 | C08 | H3 | 109.4° | 109.5° |
H4 | C10 | H5 | 109.5° | 109.4° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C23 | H14 | 109.5° | 109.5° |
H15 | N01 | H16 | 109.5° | 120.0° |
H18 | N33 | H19 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O29 | C27 | O28 | C21 | 178.2° | 180.0° |
O29 | C27 | C21 | C22 | 73.1° | 120.0° |
O29 | C27 | C21 | N20 | 159.9° | 0.0° |
O29 | C27 | C21 | H10 | 45.9° | 120.0° |
O29 | C27 | O28 | H22 | 0.0° | 0.0° |
O28 | C27 | C21 | C22 | 108.4° | 60.0° |
O28 | C27 | C21 | N20 | 18.6° | 180.0° |
O28 | C27 | C21 | H10 | 132.5° | 60.0° |
C27 | C21 | C22 | N20 | 123.9° | 120.0° |
C27 | C21 | C22 | H10 | 118.8° | 120.0° |
C27 | C21 | N20 | H10 | 113.1° | 120.0° |
C27 | C21 | C22 | C23 | 27.0° | 175.0° |
C27 | C21 | N20 | C18 | 156.5° | 85.0° |
C27 | C21 | C22 | H11 | 94.4° | 65.0° |
C27 | C21 | C22 | H12 | 148.4° | 55.0° |
C27 | C21 | N20 | H17 | 23.5° | 95.0° |
C21 | C27 | O28 | H22 | 178.2° | 180.0° |
C22 | C21 | N20 | H10 | 116.8° | 120.0° |
C21 | C22 | C23 | H11 | 121.3° | 120.0° |
C21 | C22 | C23 | H12 | 121.4° | 120.0° |
C21 | C22 | C23 | C24 | 175.1° | 179.9° |
C22 | C21 | N20 | C18 | 73.3° | 155.0° |
C21 | C22 | H11 | H12 | 115.6° | 120.0° |
C21 | C22 | C23 | H13 | 65.1° | 60.0° |
C21 | C22 | C23 | H14 | 55.2° | 60.1° |
C22 | C21 | N20 | H17 | 106.7° | 25.0° |
N20 | C21 | C22 | C23 | 96.9° | 65.0° |
C21 | N20 | C18 | H17 | 180.0° | 180.0° |
C21 | N20 | C18 | O19 | 1.3° | 0.0° |
C21 | N20 | C18 | C15 | 178.0° | 180.0° |
N20 | C21 | C22 | H11 | 141.8° | 55.0° |
N20 | C21 | C22 | H12 | 24.5° | 175.1° |
O25 | C24 | C23 | C22 | 119.3° | 0.1° |
O25 | C24 | C23 | O26 | 179.0° | 179.9° |
O25 | C24 | C23 | H13 | 120.8° | 120.0° |
O25 | C24 | C23 | H14 | 0.5° | 120.0° |
O25 | C24 | O26 | H21 | 0.0° | 0.1° |
C22 | C23 | C24 | H13 | 119.9° | 120.1° |
C22 | C23 | C24 | H14 | 119.8° | 119.9° |
C22 | C23 | C24 | O26 | 59.7° | 180.0° |
C23 | C22 | C21 | H10 | 145.8° | 55.0° |
C23 | C22 | H11 | H12 | 115.6° | 120.0° |
C22 | C23 | H13 | H14 | 120.5° | 120.0° |
C24 | C23 | C22 | H11 | 53.7° | 60.0° |
C24 | C23 | C22 | H12 | 63.5° | 60.1° |
C24 | C23 | H13 | H14 | 120.5° | 119.9° |
C23 | C24 | O26 | H21 | 178.9° | 180.0° |
N20 | C18 | O19 | C15 | 179.3° | 180.0° |
N20 | C18 | C15 | C16 | 10.4° | 180.0° |
N20 | C18 | C15 | C14 | 172.8° | 0.3° |
C18 | N20 | C21 | H10 | 43.5° | 35.0° |
O26 | C24 | C23 | H13 | 60.2° | 59.9° |
O26 | C24 | C23 | H14 | 179.5° | 60.1° |
O19 | C18 | C15 | C16 | 169.0° | 0.1° |
O19 | C18 | C15 | C14 | 7.8° | 179.7° |
O19 | C18 | N20 | H17 | 178.7° | 180.0° |
C18 | C15 | C16 | C14 | 176.7° | 179.6° |
C18 | C15 | C16 | C17 | 178.8° | 180.0° |
C18 | C15 | C14 | C13 | 178.3° | 179.7° |
C18 | C15 | C14 | H7 | 1.7° | 0.3° |
C18 | C15 | C16 | H8 | 1.2° | 0.3° |
C15 | C18 | N20 | H17 | 2.0° | 0.0° |
C15 | C16 | C17 | H8 | 180.0° | 179.7° |
C16 | C15 | C14 | C13 | 1.3° | 0.1° |
C15 | C16 | C17 | C12 | 1.7° | 0.6° |
C16 | C15 | C14 | H7 | 178.7° | 179.9° |
C15 | C16 | C17 | H9 | 178.3° | 180.0° |
C14 | C15 | C16 | C17 | 2.0° | 0.4° |
C15 | C14 | C13 | H7 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 0.3° | 0.0° |
C15 | C14 | C13 | H6 | 179.8° | 180.0° |
C14 | C15 | C16 | H8 | 177.9° | 180.0° |
C16 | C17 | C12 | H9 | 180.0° | 179.4° |
C16 | C17 | C12 | C13 | 0.6° | 0.6° |
C16 | C17 | C12 | N09 | 179.2° | 179.7° |
C14 | C13 | C12 | C17 | 0.1° | 0.3° |
C14 | C13 | C12 | H6 | 180.0° | 180.0° |
C14 | C13 | C12 | N09 | 178.5° | 180.0° |
C17 | C12 | C13 | N09 | 178.6° | 179.7° |
C17 | C12 | N09 | C08 | 20.0° | 0.3° |
C17 | C12 | N09 | C10 | 157.5° | 179.7° |
C17 | C12 | C13 | H6 | 179.9° | 179.8° |
C12 | C17 | C16 | H8 | 178.3° | 179.7° |
C13 | C12 | N09 | C08 | 161.4° | 179.9° |
C13 | C12 | N09 | C10 | 21.1° | 0.0° |
C12 | C13 | C14 | H7 | 179.8° | 180.0° |
C13 | C12 | C17 | H9 | 179.4° | 179.9° |
C12 | N09 | C08 | C10 | 177.4° | 180.0° |
C12 | N09 | C08 | C07 | 68.4° | 90.0° |
C12 | N09 | C10 | O11 | 175.1° | 75.0° |
C12 | N09 | C08 | H2 | 171.0° | 29.9° |
C12 | N09 | C08 | H3 | 52.2° | 150.0° |
C12 | N09 | C10 | H4 | 54.8° | 45.0° |
C12 | N09 | C10 | H5 | 64.5° | 165.0° |
N09 | C12 | C13 | H6 | 1.5° | 0.0° |
N09 | C12 | C17 | H9 | 0.8° | 0.3° |
N05 | C06 | C07 | H1 | 180.0° | 180.0° |
N05 | C06 | C07 | C08 | 179.5° | 180.0° |
N05 | C06 | C07 | N30 | 1.7° | 0.1° |
C06 | N05 | C04 | N03 | 179.4° | 180.0° |
C06 | N05 | C04 | C31 | 2.0° | 0.1° |
C07 | C06 | N05 | C04 | 2.4° | 0.0° |
C06 | C07 | C08 | N09 | 155.3° | 95.0° |
C06 | C07 | C08 | N30 | 177.9° | 179.9° |
C06 | C07 | N30 | C31 | 0.5° | 0.0° |
C06 | C07 | C08 | H2 | 84.1° | 145.0° |
C06 | C07 | C08 | H3 | 34.7° | 25.0° |
N05 | C04 | N03 | C31 | 178.5° | 179.9° |
N05 | C04 | N03 | C02 | 179.5° | 180.0° |
N05 | C04 | C31 | N30 | 1.0° | 0.1° |
N05 | C04 | C31 | C32 | 179.5° | 179.8° |
C04 | N05 | C06 | H1 | 177.6° | 180.0° |
N09 | C08 | C07 | H2 | 120.6° | 120.0° |
N09 | C08 | C07 | H3 | 120.6° | 120.0° |
N09 | C08 | C07 | N30 | 22.5° | 85.1° |
C08 | N09 | C10 | O11 | 2.5° | 105.0° |
N09 | C08 | H2 | H3 | 118.2° | 120.1° |
C08 | N09 | C10 | H4 | 122.8° | 134.9° |
C08 | N09 | C10 | H5 | 117.9° | 14.9° |
C07 | C08 | N09 | C10 | 108.9° | 90.0° |
C08 | C07 | N30 | C31 | 178.4° | 179.9° |
C08 | C07 | C06 | H1 | 0.5° | 0.1° |
C07 | C08 | H2 | H3 | 118.2° | 120.0° |
N09 | C10 | O11 | H4 | 120.4° | 120.1° |
N09 | C10 | O11 | H5 | 120.4° | 120.0° |
C10 | N09 | C08 | H2 | 11.7° | 150.0° |
C10 | N09 | C08 | H3 | 130.4° | 29.9° |
N09 | C10 | H4 | H5 | 118.9° | 120.0° |
N09 | C10 | O11 | H20 | 180.0° | 179.9° |
C07 | N30 | C31 | C04 | 0.2° | 0.0° |
C07 | N30 | C31 | C32 | 179.7° | 179.7° |
N30 | C07 | C06 | H1 | 178.3° | 180.0° |
N30 | C07 | C08 | H2 | 98.0° | 34.9° |
N30 | C07 | C08 | H3 | 143.2° | 154.9° |
N03 | C04 | C31 | N30 | 179.5° | 180.0° |
N03 | C04 | C31 | C32 | 1.0° | 0.3° |
C04 | N03 | C02 | N01 | 179.1° | 180.0° |
C04 | N03 | C02 | N34 | 1.9° | 0.2° |
C31 | C04 | N03 | C02 | 2.0° | 0.1° |
C04 | C31 | N30 | C32 | 179.5° | 179.6° |
C04 | C31 | C32 | N34 | 0.2° | 0.3° |
C04 | C31 | C32 | N33 | 179.8° | 180.0° |
N03 | C02 | N01 | N34 | 179.1° | 179.8° |
N03 | C02 | N34 | C32 | 0.8° | 0.2° |
N03 | C02 | N01 | H15 | 0.0° | 179.7° |
N03 | C02 | N01 | H16 | 120.0° | 0.2° |
N30 | C31 | C32 | N34 | 179.4° | 180.0° |
N30 | C31 | C32 | N33 | 0.3° | 0.3° |
C31 | C32 | N34 | C02 | 0.3° | 0.1° |
C31 | C32 | N34 | N33 | 179.6° | 179.7° |
C31 | C32 | N33 | H18 | 179.6° | 0.0° |
C31 | C32 | N33 | H19 | 59.6° | 179.9° |
O11 | C10 | H4 | H5 | 118.9° | 119.9° |
N01 | C02 | N34 | C32 | 179.9° | 180.0° |
C02 | N01 | H15 | H16 | 120.0° | 179.9° |
C02 | N34 | C32 | N33 | 179.9° | 179.8° |
N34 | C02 | N01 | H15 | 179.1° | 0.1° |
N34 | C02 | N01 | H16 | 60.9° | 180.0° |
N34 | C32 | N33 | H18 | 0.0° | 179.7° |
N34 | C32 | N33 | H19 | 120.0° | 0.3° |
C32 | N33 | H18 | H19 | 120.0° | 180.0° |
H4 | C10 | O11 | H20 | 59.7° | 60.0° |
H5 | C10 | O11 | H20 | 59.6° | 59.9° |
H6 | C13 | C14 | H7 | 0.2° | 0.0° |
H8 | C16 | C17 | H9 | 1.7° | 0.3° |
H10 | C21 | C22 | H11 | 24.5° | 175.0° |
H10 | C21 | C22 | H12 | 92.8° | 64.9° |
H10 | C21 | N20 | H17 | 136.6° | 145.0° |
H11 | C22 | C23 | H13 | 173.6° | 180.0° |
H11 | C22 | C23 | H14 | 66.1° | 59.9° |
H12 | C22 | C23 | H13 | 56.3° | 60.0° |
H12 | C22 | C23 | H14 | 176.6° | 180.0° |