GEB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C37 | C38 | sing | 1.53Å | 1.54Å | |
C37 | N17 | sing | 1.47Å | 1.48Å | |
C38 | C39 | sing | 1.51Å | 1.41Å | |
N17 | C43 | sing | 1.47Å | 1.47Å | |
N17 | C36 | sing | 1.47Å | 1.48Å | |
C39 | O7 | doub | 1.21Å | 1.23Å | |
C43 | C44 | sing | 1.53Å | 1.53Å | |
C36 | C35 | sing | 1.53Å | 1.53Å | |
C44 | N16 | sing | 1.47Å | 1.47Å | |
N16 | C35 | sing | 1.47Å | 1.47Å | |
N16 | C34 | sing | 1.47Å | 1.47Å | |
C33 | C34 | sing | 1.53Å | 1.52Å | |
C33 | C32 | sing | 1.51Å | 1.39Å | |
C32 | O6 | doub | 1.21Å | 1.23Å | |
C32 | H1 | sing | 1.08Å | 1.08Å | |
C33 | H2 | sing | 1.09Å | 1.10Å | |
C33 | H3 | sing | 1.09Å | 1.10Å | |
C34 | H4 | sing | 1.09Å | 1.10Å | |
C34 | H5 | sing | 1.09Å | 1.10Å | |
C35 | H6 | sing | 1.09Å | 1.10Å | |
C35 | H7 | sing | 1.09Å | 1.10Å | |
C36 | H8 | sing | 1.09Å | 1.10Å | |
C36 | H9 | sing | 1.09Å | 1.10Å | |
C37 | H10 | sing | 1.09Å | 1.10Å | |
C37 | H11 | sing | 1.09Å | 1.10Å | |
C38 | H12 | sing | 1.09Å | 1.10Å | |
C38 | H13 | sing | 1.09Å | 1.10Å | |
C39 | H14 | sing | 1.08Å | 1.08Å | |
C43 | H15 | sing | 1.09Å | 1.10Å | |
C43 | H16 | sing | 1.09Å | 1.10Å | |
C44 | H17 | sing | 1.09Å | 1.10Å | |
C44 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C38 | C37 | N17 | 115.8° | 109.5° |
C37 | C38 | C39 | 116.8° | 109.5° |
C38 | C37 | H10 | 107.9° | 109.5° |
C38 | C37 | H11 | 107.9° | 109.4° |
C37 | C38 | H12 | 107.6° | 109.4° |
C37 | C38 | H13 | 107.6° | 109.4° |
C37 | N17 | C43 | 110.6° | 111.0° |
C37 | N17 | C36 | 114.9° | 111.0° |
N17 | C37 | H10 | 107.9° | 109.5° |
N17 | C37 | H11 | 107.9° | 109.5° |
C38 | C39 | O7 | 119.4° | 120.0° |
C39 | C38 | H12 | 107.6° | 109.5° |
C39 | C38 | H13 | 107.6° | 109.5° |
C38 | C39 | H14 | 120.3° | 120.0° |
C43 | N17 | C36 | 112.0° | 110.9° |
N17 | C43 | C44 | 110.8° | 109.4° |
N17 | C43 | H15 | 109.1° | 109.5° |
N17 | C43 | H16 | 109.2° | 109.4° |
N17 | C36 | C35 | 111.7° | 109.4° |
N17 | C36 | H8 | 108.9° | 109.5° |
N17 | C36 | H9 | 108.9° | 109.6° |
O7 | C39 | H14 | 120.3° | 120.0° |
C43 | C44 | N16 | 112.2° | 109.4° |
C44 | C43 | H15 | 109.1° | 109.5° |
C44 | C43 | H16 | 109.1° | 109.5° |
C43 | C44 | H17 | 108.8° | 109.5° |
C43 | C44 | H18 | 108.8° | 109.5° |
C36 | C35 | N16 | 109.6° | 109.4° |
C36 | C35 | H6 | 109.4° | 109.5° |
C36 | C35 | H7 | 109.4° | 109.5° |
C35 | C36 | H8 | 108.9° | 109.5° |
C35 | C36 | H9 | 108.9° | 109.5° |
C44 | N16 | C35 | 109.9° | 110.9° |
C44 | N16 | C34 | 108.8° | 110.9° |
N16 | C44 | H17 | 108.8° | 109.5° |
N16 | C44 | H18 | 108.8° | 109.4° |
C35 | N16 | C34 | 111.5° | 111.0° |
N16 | C35 | H6 | 109.4° | 109.5° |
N16 | C35 | H7 | 109.4° | 109.5° |
N16 | C34 | C33 | 110.6° | 109.4° |
N16 | C34 | H4 | 109.2° | 109.5° |
N16 | C34 | H5 | 109.2° | 109.5° |
C34 | C33 | C32 | 110.0° | 109.5° |
C34 | C33 | H2 | 109.3° | 109.5° |
C34 | C33 | H3 | 109.4° | 109.5° |
C33 | C34 | H4 | 109.2° | 109.5° |
C33 | C34 | H5 | 109.2° | 109.5° |
C33 | C32 | O6 | 120.8° | 120.0° |
C33 | C32 | H1 | 119.6° | 120.0° |
C32 | C33 | H2 | 109.4° | 109.5° |
C32 | C33 | H3 | 109.3° | 109.5° |
O6 | C32 | H1 | 119.6° | 120.0° |
H2 | C33 | H3 | 109.4° | 109.4° |
H4 | C34 | H5 | 109.5° | 109.5° |
H6 | C35 | H7 | 109.5° | 109.5° |
H8 | C36 | H9 | 109.5° | 109.4° |
H10 | C37 | H11 | 109.4° | 109.5° |
H12 | C38 | H13 | 109.5° | 109.5° |
H15 | C43 | H16 | 109.5° | 109.5° |
H17 | C44 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C38 | C37 | N17 | H10 | 120.9° | 120.0° |
C38 | C37 | N17 | H11 | 120.9° | 120.0° |
C37 | C38 | C39 | H12 | 121.0° | 120.0° |
C37 | C38 | C39 | H13 | 121.1° | 120.0° |
C38 | C37 | N17 | C43 | 110.7° | 170.0° |
C38 | C37 | N17 | C36 | 17.3° | 66.2° |
C37 | C38 | C39 | O7 | 83.1° | 125.0° |
C38 | C37 | H10 | H11 | 117.1° | 120.0° |
C37 | C38 | H12 | H13 | 116.7° | 120.0° |
C37 | C38 | C39 | H14 | 96.9° | 55.0° |
N17 | C37 | C38 | C39 | 76.2° | 180.0° |
C37 | N17 | C43 | C36 | 129.6° | 123.9° |
C37 | N17 | C43 | C44 | 168.7° | 176.8° |
C37 | N17 | C36 | C35 | 160.4° | 176.8° |
C37 | N17 | C36 | H8 | 79.2° | 63.2° |
C37 | N17 | C36 | H9 | 40.1° | 56.8° |
N17 | C37 | H10 | H11 | 117.1° | 120.0° |
N17 | C37 | C38 | H12 | 44.8° | 60.0° |
N17 | C37 | C38 | H13 | 162.7° | 60.0° |
C37 | N17 | C43 | H15 | 71.1° | 56.9° |
C37 | N17 | C43 | H16 | 48.5° | 63.2° |
C38 | C39 | O7 | H14 | 180.0° | 180.0° |
C39 | C38 | C37 | H10 | 44.7° | 60.0° |
C39 | C38 | C37 | H11 | 162.9° | 60.0° |
C39 | C38 | H12 | H13 | 116.7° | 120.0° |
N17 | C43 | C44 | H15 | 120.2° | 120.0° |
N17 | C43 | C44 | H16 | 120.2° | 119.9° |
C43 | N17 | C36 | C35 | 33.2° | 59.3° |
N17 | C43 | C44 | N16 | 23.9° | 58.3° |
C43 | N17 | C36 | H8 | 153.6° | 60.7° |
C43 | N17 | C36 | H9 | 87.1° | 179.3° |
C43 | N17 | C37 | H10 | 10.3° | 70.0° |
C43 | N17 | C37 | H11 | 128.4° | 50.0° |
N17 | C43 | H15 | H16 | 119.4° | 120.0° |
N17 | C43 | C44 | H17 | 144.3° | 178.4° |
N17 | C43 | C44 | H18 | 96.5° | 61.6° |
C36 | N17 | C43 | C44 | 61.7° | 59.3° |
N17 | C36 | C35 | H8 | 120.3° | 120.0° |
N17 | C36 | C35 | H9 | 120.3° | 120.1° |
N17 | C36 | C35 | N16 | 29.6° | 58.4° |
N17 | C36 | C35 | H6 | 149.7° | 61.6° |
N17 | C36 | C35 | H7 | 90.4° | 178.4° |
N17 | C36 | H8 | H9 | 118.9° | 120.1° |
C36 | N17 | C37 | H10 | 138.3° | 53.8° |
C36 | N17 | C37 | H11 | 103.6° | 173.8° |
C36 | N17 | C43 | H15 | 58.4° | 179.3° |
C36 | N17 | C43 | H16 | 178.1° | 60.7° |
O7 | C39 | C38 | H12 | 37.9° | 5.0° |
O7 | C39 | C38 | H13 | 155.8° | 115.1° |
C43 | C44 | N16 | H17 | 120.4° | 120.0° |
C43 | C44 | N16 | H18 | 120.4° | 119.9° |
C43 | C44 | N16 | C35 | 38.7° | 59.2° |
C43 | C44 | N16 | C34 | 161.2° | 64.6° |
C44 | C43 | H15 | H16 | 119.4° | 120.1° |
C43 | C44 | H17 | H18 | 118.7° | 120.1° |
C36 | C35 | N16 | C44 | 67.4° | 59.3° |
C36 | C35 | N16 | H6 | 120.0° | 119.9° |
C36 | C35 | N16 | H7 | 120.0° | 120.0° |
C36 | C35 | N16 | C34 | 171.8° | 64.5° |
C36 | C35 | H6 | H7 | 119.9° | 120.0° |
C35 | C36 | H8 | H9 | 119.0° | 120.0° |
C44 | N16 | C35 | C34 | 120.8° | 123.8° |
C44 | N16 | C34 | C33 | 62.3° | 170.0° |
C44 | N16 | C34 | H4 | 177.6° | 50.0° |
C44 | N16 | C34 | H5 | 57.9° | 70.0° |
C44 | N16 | C35 | H6 | 172.6° | 60.7° |
C44 | N16 | C35 | H7 | 52.6° | 179.3° |
N16 | C44 | C43 | H15 | 96.2° | 178.3° |
N16 | C44 | C43 | H16 | 144.1° | 61.6° |
N16 | C44 | H17 | H18 | 118.7° | 120.0° |
C35 | N16 | C34 | C33 | 176.3° | 66.2° |
C35 | N16 | C34 | H4 | 56.1° | 173.8° |
C35 | N16 | C34 | H5 | 63.5° | 53.8° |
N16 | C35 | H6 | H7 | 119.9° | 120.1° |
N16 | C35 | C36 | H8 | 90.7° | 61.6° |
N16 | C35 | C36 | H9 | 150.0° | 178.4° |
C35 | N16 | C44 | H17 | 81.7° | 179.3° |
C35 | N16 | C44 | H18 | 159.1° | 60.7° |
N16 | C34 | C33 | H4 | 120.1° | 120.0° |
N16 | C34 | C33 | H5 | 120.2° | 120.0° |
N16 | C34 | C33 | C32 | 177.7° | 180.0° |
N16 | C34 | C33 | H2 | 62.2° | 59.9° |
N16 | C34 | C33 | H3 | 57.6° | 60.0° |
N16 | C34 | H4 | H5 | 119.5° | 120.0° |
C34 | N16 | C35 | H6 | 51.8° | 175.5° |
C34 | N16 | C35 | H7 | 68.2° | 55.5° |
C34 | N16 | C44 | H17 | 40.7° | 55.4° |
C34 | N16 | C44 | H18 | 78.4° | 175.5° |
C34 | C33 | C32 | H2 | 120.1° | 120.1° |
C34 | C33 | C32 | H3 | 120.1° | 120.0° |
C34 | C33 | C32 | O6 | 88.9° | 125.0° |
C34 | C33 | C32 | H1 | 91.1° | 55.3° |
C34 | C33 | H2 | H3 | 119.8° | 120.0° |
C33 | C34 | H4 | H5 | 119.5° | 120.0° |
C33 | C32 | O6 | H1 | 180.0° | 179.8° |
C32 | C33 | H2 | H3 | 119.8° | 120.0° |
C32 | C33 | C34 | H4 | 57.5° | 60.0° |
C32 | C33 | C34 | H5 | 62.2° | 60.0° |
O6 | C32 | C33 | H2 | 151.0° | 115.0° |
O6 | C32 | C33 | H3 | 31.2° | 5.0° |
H1 | C32 | C33 | H2 | 29.0° | 64.8° |
H1 | C32 | C33 | H3 | 148.8° | 175.3° |
H2 | C33 | C34 | H4 | 177.6° | 180.0° |
H2 | C33 | C34 | H5 | 57.9° | 60.0° |
H3 | C33 | C34 | H4 | 62.6° | 60.0° |
H3 | C33 | C34 | H5 | 177.7° | 180.0° |
H6 | C35 | C36 | H8 | 29.3° | 178.5° |
H6 | C35 | C36 | H9 | 90.0° | 58.5° |
H7 | C35 | C36 | H8 | 149.3° | 58.4° |
H7 | C35 | C36 | H9 | 30.0° | 61.5° |
H10 | C37 | C38 | H12 | 165.8° | 60.0° |
H10 | C37 | C38 | H13 | 76.3° | 180.0° |
H11 | C37 | C38 | H12 | 76.1° | 180.0° |
H11 | C37 | C38 | H13 | 41.8° | 60.0° |
H12 | C38 | C39 | H14 | 142.1° | 175.0° |
H13 | C38 | C39 | H14 | 24.2° | 65.0° |
H15 | C43 | C44 | H17 | 24.2° | 61.7° |
H15 | C43 | C44 | H18 | 143.3° | 58.4° |
H16 | C43 | C44 | H17 | 95.5° | 58.4° |
H16 | C43 | C44 | H18 | 23.7° | 178.5° |