Q7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | N05 | sing | 1.47Å | 1.48Å | |
| O12 | C11 | doub | 1.21Å | 1.22Å | |
| N05 | C06 | sing | 1.47Å | 1.48Å | |
| S14 | C13 | sing | 1.81Å | 1.79Å | |
| C11 | C13 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| N01 | H19 | sing | 1.01Å | 1.00Å | |
| N01 | H20 | sing | 1.01Å | 1.00Å | |
| N05 | H22 | sing | 1.01Å | 1.00Å | |
| S14 | H24 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 109.9° | 109.5° |
| N01 | C02 | H5 | 109.4° | 109.4° |
| N01 | C02 | H6 | 109.3° | 109.5° |
| C02 | N01 | H19 | 109.5° | 111.0° |
| C02 | N01 | H20 | 109.4° | 111.0° |
| C02 | C03 | C04 | 110.6° | 109.5° |
| C03 | C02 | H5 | 109.4° | 109.5° |
| C03 | C02 | H6 | 109.4° | 109.5° |
| C02 | C03 | H7 | 109.2° | 109.4° |
| C02 | C03 | H8 | 109.2° | 109.5° |
| C03 | C04 | N05 | 109.9° | 109.5° |
| C04 | C03 | H7 | 109.2° | 109.5° |
| C04 | C03 | H8 | 109.2° | 109.5° |
| C03 | C04 | H9 | 109.4° | 109.4° |
| C03 | C04 | H10 | 109.3° | 109.5° |
| C04 | N05 | C06 | 115.9° | 111.0° |
| N05 | C04 | H9 | 109.4° | 109.5° |
| N05 | C04 | H10 | 109.4° | 109.5° |
| C04 | N05 | H22 | 107.8° | 111.0° |
| O12 | C11 | C13 | 120.8° | 120.0° |
| O12 | C11 | C10 | 121.3° | 120.0° |
| N05 | C06 | C07 | 110.0° | 109.5° |
| N05 | C06 | H11 | 109.3° | 109.5° |
| N05 | C06 | H12 | 109.3° | 109.5° |
| C06 | N05 | H22 | 107.8° | 111.0° |
| S14 | C13 | C11 | 109.1° | 109.5° |
| S14 | C13 | H3 | 109.6° | 109.5° |
| S14 | C13 | H4 | 109.6° | 109.4° |
| C13 | S14 | H24 | 102.0° | 103.0° |
| C13 | C11 | C10 | 118.0° | 120.0° |
| C11 | C13 | H3 | 109.6° | 109.5° |
| C11 | C13 | H4 | 109.5° | 109.5° |
| C11 | C10 | C09 | 112.0° | 109.5° |
| C11 | C10 | H1 | 108.8° | 109.4° |
| C11 | C10 | H2 | 108.8° | 109.4° |
| C10 | C09 | C08 | 112.9° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H17 | 108.6° | 109.5° |
| C10 | C09 | H18 | 108.6° | 109.5° |
| C09 | C08 | C07 | 112.5° | 109.5° |
| C09 | C08 | H15 | 108.7° | 109.4° |
| C09 | C08 | H16 | 108.7° | 109.5° |
| C08 | C09 | H17 | 108.6° | 109.5° |
| C08 | C09 | H18 | 108.6° | 109.5° |
| C06 | C07 | C08 | 112.3° | 109.5° |
| C07 | C06 | H11 | 109.3° | 109.5° |
| C07 | C06 | H12 | 109.3° | 109.5° |
| C06 | C07 | H13 | 108.8° | 109.4° |
| C06 | C07 | H14 | 108.8° | 109.4° |
| C08 | C07 | H13 | 108.8° | 109.5° |
| C08 | C07 | H14 | 108.8° | 109.5° |
| C07 | C08 | H15 | 108.7° | 109.5° |
| C07 | C08 | H16 | 108.7° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
| H19 | N01 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H5 | 120.1° | 120.0° |
| N01 | C02 | C03 | H6 | 120.1° | 120.0° |
| N01 | C02 | C03 | C04 | 164.2° | 180.0° |
| N01 | C02 | H5 | H6 | 119.8° | 119.9° |
| N01 | C02 | C03 | H7 | 75.6° | 60.0° |
| N01 | C02 | C03 | H8 | 44.0° | 60.0° |
| C02 | N01 | H19 | H20 | 120.0° | 124.0° |
| C02 | C03 | C04 | H7 | 120.2° | 120.0° |
| C02 | C03 | C04 | H8 | 120.2° | 120.0° |
| C02 | C03 | C04 | N05 | 122.4° | 180.0° |
| C03 | C02 | H5 | H6 | 119.8° | 120.0° |
| C02 | C03 | H7 | H8 | 119.5° | 120.0° |
| C02 | C03 | C04 | H9 | 2.3° | 60.0° |
| C02 | C03 | C04 | H10 | 117.5° | 60.0° |
| C03 | C02 | N01 | H19 | 180.0° | 56.0° |
| C03 | C02 | N01 | H20 | 60.0° | 180.0° |
| C03 | C04 | N05 | H9 | 120.1° | 119.9° |
| C03 | C04 | N05 | H10 | 120.0° | 120.0° |
| C03 | C04 | N05 | C06 | 170.2° | 180.0° |
| C04 | C03 | C02 | H5 | 44.1° | 60.0° |
| C04 | C03 | C02 | H6 | 75.7° | 60.0° |
| C04 | C03 | H7 | H8 | 119.5° | 120.0° |
| C03 | C04 | H9 | H10 | 119.8° | 119.9° |
| C03 | C04 | N05 | H22 | 68.9° | 56.1° |
| C04 | N05 | C06 | H22 | 120.9° | 123.9° |
| C04 | N05 | C06 | C07 | 154.6° | 180.0° |
| N05 | C04 | C03 | H7 | 117.4° | 60.0° |
| N05 | C04 | C03 | H8 | 2.2° | 59.9° |
| N05 | C04 | H9 | H10 | 119.8° | 120.1° |
| C04 | N05 | C06 | H11 | 34.5° | 60.0° |
| C04 | N05 | C06 | H12 | 85.3° | 60.0° |
| O12 | C11 | C13 | S14 | 38.4° | 0.0° |
| O12 | C11 | C13 | C10 | 179.7° | 180.0° |
| O12 | C11 | C10 | C09 | 17.7° | 0.0° |
| O12 | C11 | C10 | H1 | 138.2° | 120.0° |
| O12 | C11 | C10 | H2 | 102.6° | 120.0° |
| O12 | C11 | C13 | H3 | 81.6° | 120.0° |
| O12 | C11 | C13 | H4 | 158.3° | 120.0° |
| N05 | C06 | C07 | H11 | 120.1° | 120.0° |
| N05 | C06 | C07 | H12 | 120.1° | 120.0° |
| N05 | C06 | C07 | C08 | 169.6° | 180.0° |
| C06 | N05 | C04 | H9 | 50.1° | 60.0° |
| C06 | N05 | C04 | H10 | 69.8° | 60.0° |
| N05 | C06 | H11 | H12 | 119.7° | 120.0° |
| N05 | C06 | C07 | H13 | 70.0° | 60.0° |
| N05 | C06 | C07 | H14 | 49.1° | 60.0° |
| S14 | C13 | C11 | H3 | 120.0° | 120.0° |
| S14 | C13 | C11 | H4 | 119.9° | 120.0° |
| S14 | C13 | C11 | C10 | 141.9° | 180.0° |
| S14 | C13 | H3 | H4 | 120.2° | 120.0° |
| C13 | C11 | C10 | C09 | 162.0° | 180.0° |
| C13 | C11 | C10 | H1 | 41.6° | 60.0° |
| C13 | C11 | C10 | H2 | 77.7° | 60.0° |
| C11 | C13 | H3 | H4 | 120.1° | 120.0° |
| C11 | C13 | S14 | H24 | 16.0° | 180.0° |
| C11 | C10 | C09 | H1 | 120.4° | 120.0° |
| C11 | C10 | C09 | H2 | 120.4° | 119.9° |
| C11 | C10 | C09 | C08 | 178.6° | 180.0° |
| C11 | C10 | H1 | H2 | 118.8° | 119.9° |
| C10 | C11 | C13 | H3 | 98.1° | 60.0° |
| C10 | C11 | C13 | H4 | 22.0° | 60.0° |
| C11 | C10 | C09 | H17 | 60.9° | 60.0° |
| C11 | C10 | C09 | H18 | 58.1° | 60.0° |
| C10 | C09 | C08 | H17 | 120.5° | 120.0° |
| C10 | C09 | C08 | H18 | 120.5° | 120.0° |
| C10 | C09 | C08 | C07 | 175.0° | 180.0° |
| C09 | C10 | H1 | H2 | 118.8° | 120.1° |
| C10 | C09 | C08 | H15 | 64.6° | 60.0° |
| C10 | C09 | C08 | H16 | 54.5° | 60.0° |
| C10 | C09 | H17 | H18 | 118.4° | 120.0° |
| C09 | C08 | C07 | C06 | 112.2° | 180.0° |
| C09 | C08 | C07 | H15 | 120.4° | 120.0° |
| C09 | C08 | C07 | H16 | 120.4° | 120.0° |
| C08 | C09 | C10 | H1 | 58.2° | 60.1° |
| C08 | C09 | C10 | H2 | 61.0° | 60.1° |
| C09 | C08 | C07 | H13 | 127.4° | 60.0° |
| C09 | C08 | C07 | H14 | 8.2° | 60.0° |
| C09 | C08 | H15 | H16 | 118.6° | 120.0° |
| C08 | C09 | H17 | H18 | 118.5° | 120.0° |
| C06 | C07 | C08 | H13 | 120.4° | 120.0° |
| C06 | C07 | C08 | H14 | 120.4° | 120.0° |
| C07 | C06 | H11 | H12 | 119.7° | 120.0° |
| C06 | C07 | H13 | H14 | 118.7° | 119.9° |
| C06 | C07 | C08 | H15 | 127.3° | 60.0° |
| C06 | C07 | C08 | H16 | 8.2° | 60.0° |
| C07 | C06 | N05 | H22 | 84.5° | 56.1° |
| C08 | C07 | C06 | H11 | 49.5° | 60.0° |
| C08 | C07 | C06 | H12 | 70.3° | 60.0° |
| C08 | C07 | H13 | H14 | 118.7° | 120.1° |
| C07 | C08 | H15 | H16 | 118.6° | 120.0° |
| C07 | C08 | C09 | H17 | 54.5° | 60.0° |
| C07 | C08 | C09 | H18 | 64.5° | 60.0° |
| H1 | C10 | C09 | H17 | 178.7° | 179.9° |
| H1 | C10 | C09 | H18 | 62.3° | 59.9° |
| H2 | C10 | C09 | H17 | 59.5° | 59.9° |
| H2 | C10 | C09 | H18 | 178.5° | 179.9° |
| H3 | C13 | S14 | H24 | 104.0° | 59.9° |
| H4 | C13 | S14 | H24 | 135.9° | 60.0° |
| H5 | C02 | C03 | H7 | 164.3° | 60.0° |
| H5 | C02 | C03 | H8 | 76.0° | 179.9° |
| H5 | C02 | N01 | H19 | 59.9° | 64.0° |
| H5 | C02 | N01 | H20 | 60.1° | 60.0° |
| H6 | C02 | C03 | H7 | 44.5° | 180.0° |
| H6 | C02 | C03 | H8 | 164.1° | 60.1° |
| H6 | C02 | N01 | H19 | 59.9° | 176.1° |
| H6 | C02 | N01 | H20 | 179.9° | 59.9° |
| H7 | C03 | C04 | H9 | 122.5° | 180.0° |
| H7 | C03 | C04 | H10 | 2.6° | 60.0° |
| H8 | C03 | C04 | H9 | 117.8° | 60.0° |
| H8 | C03 | C04 | H10 | 122.3° | 180.0° |
| H9 | C04 | N05 | H22 | 171.1° | 176.0° |
| H10 | C04 | N05 | H22 | 51.2° | 63.9° |
| H11 | C06 | C07 | H13 | 169.9° | 60.0° |
| H11 | C06 | C07 | H14 | 71.0° | 180.0° |
| H11 | C06 | N05 | H22 | 155.4° | 64.0° |
| H12 | C06 | C07 | H13 | 50.1° | 180.0° |
| H12 | C06 | C07 | H14 | 169.2° | 60.0° |
| H12 | C06 | N05 | H22 | 35.6° | 176.1° |
| H13 | C07 | C08 | H15 | 6.9° | 180.0° |
| H13 | C07 | C08 | H16 | 112.2° | 60.0° |
| H14 | C07 | C08 | H15 | 112.3° | 59.9° |
| H14 | C07 | C08 | H16 | 128.6° | 180.0° |
| H15 | C08 | C09 | H17 | 174.9° | 60.0° |
| H15 | C08 | C09 | H18 | 55.9° | 180.0° |
| H16 | C08 | C09 | H17 | 65.9° | 180.0° |
| H16 | C08 | C09 | H18 | 175.0° | 60.0° |
