6VG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | S1 | sing | 1.71Å | 1.63Å | |
| S1 | C43 | sing | 1.81Å | 1.78Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| O40 | C39 | doub | 1.21Å | 1.22Å | |
| C42 | N41 | sing | 1.47Å | 1.47Å | |
| C39 | N41 | sing | 1.35Å | 1.34Å | |
| C39 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | N36 | sing | 1.47Å | 1.45Å | |
| N36 | C34 | sing | 1.35Å | 1.34Å | |
| O33 | C32 | sing | 1.43Å | 1.43Å | |
| C34 | C32 | sing | 1.51Å | 1.51Å | |
| C34 | O35 | doub | 1.21Å | 1.22Å | |
| C32 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| O27 | P24 | sing | 1.61Å | 1.62Å | |
| O23 | P24 | doub | 1.48Å | 1.51Å | |
| P24 | O26 | sing | 1.61Å | 1.51Å | |
| P24 | O2 | sing | 1.61Å | 1.33Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| O33 | H11 | sing | 0.97Å | 0.95Å | |
| N36 | H12 | sing | 0.97Å | 1.00Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| N41 | H17 | sing | 0.97Å | 1.00Å | |
| C42 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 123.2° | 120.0° |
| C2 | C1 | S1 | 121.3° | 120.0° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.5° |
| C1 | C2 | H24 | 109.5° | 109.4° |
| O1 | C1 | S1 | 115.4° | 120.0° |
| C1 | S1 | C43 | 88.7° | 100.0° |
| S1 | C43 | C42 | 113.1° | 109.4° |
| S1 | C43 | H20 | 108.6° | 109.5° |
| S1 | C43 | H21 | 108.6° | 109.5° |
| C43 | C42 | N41 | 118.3° | 109.5° |
| C43 | C42 | H18 | 107.2° | 109.5° |
| C43 | C42 | H19 | 107.2° | 109.5° |
| C42 | C43 | H20 | 108.6° | 109.4° |
| C42 | C43 | H21 | 108.6° | 109.5° |
| O40 | C39 | N41 | 122.7° | 120.0° |
| O40 | C39 | C38 | 119.5° | 120.0° |
| C42 | N41 | C39 | 123.0° | 120.0° |
| C42 | N41 | H17 | 118.5° | 120.0° |
| N41 | C42 | H18 | 107.2° | 109.4° |
| N41 | C42 | H19 | 107.2° | 109.5° |
| N41 | C39 | C38 | 117.7° | 120.0° |
| C39 | N41 | H17 | 118.5° | 120.0° |
| C39 | C38 | C37 | 109.6° | 109.4° |
| C39 | C38 | H15 | 109.4° | 109.5° |
| C39 | C38 | H16 | 109.5° | 109.4° |
| C38 | C37 | N36 | 115.3° | 109.5° |
| C38 | C37 | H13 | 108.0° | 109.4° |
| C38 | C37 | H14 | 108.0° | 109.5° |
| C37 | C38 | H15 | 109.5° | 109.5° |
| C37 | C38 | H16 | 109.4° | 109.5° |
| C37 | N36 | C34 | 122.0° | 120.0° |
| C37 | N36 | H12 | 119.0° | 119.9° |
| N36 | C37 | H13 | 108.0° | 109.5° |
| N36 | C37 | H14 | 108.0° | 109.5° |
| N36 | C34 | C32 | 119.0° | 120.0° |
| N36 | C34 | O35 | 122.0° | 120.1° |
| C34 | N36 | H12 | 119.0° | 120.1° |
| O33 | C32 | C34 | 111.6° | 109.5° |
| O33 | C32 | C29 | 108.0° | 109.4° |
| O33 | C32 | H10 | 109.7° | 109.5° |
| C32 | O33 | H11 | 109.5° | 113.9° |
| C32 | C34 | O35 | 118.9° | 120.0° |
| C34 | C32 | C29 | 110.7° | 109.5° |
| C34 | C32 | H10 | 108.5° | 109.5° |
| C32 | C29 | C31 | 108.7° | 109.5° |
| C32 | C29 | C30 | 109.4° | 109.4° |
| C32 | C29 | C28 | 109.1° | 109.5° |
| C29 | C32 | H10 | 108.4° | 109.5° |
| C31 | C29 | C30 | 109.9° | 109.5° |
| C31 | C29 | C28 | 110.7° | 109.5° |
| C29 | C31 | H7 | 109.5° | 109.5° |
| C29 | C31 | H8 | 109.5° | 109.4° |
| C29 | C31 | H9 | 109.5° | 109.5° |
| C30 | C29 | C28 | 109.0° | 109.5° |
| C29 | C30 | H4 | 109.5° | 109.5° |
| C29 | C30 | H5 | 109.5° | 109.5° |
| C29 | C30 | H6 | 109.5° | 109.5° |
| C29 | C28 | O27 | 109.5° | 109.4° |
| C29 | C28 | H2 | 109.5° | 109.5° |
| C29 | C28 | H3 | 109.5° | 109.5° |
| C28 | O27 | P24 | 120.0° | 123.0° |
| O27 | C28 | H2 | 109.5° | 109.5° |
| O27 | C28 | H3 | 109.5° | 109.5° |
| O27 | P24 | O23 | 107.3° | 109.5° |
| O27 | P24 | O26 | 107.0° | 109.5° |
| O27 | P24 | O2 | 92.1° | 109.5° |
| O23 | P24 | O26 | 123.6° | 109.5° |
| O23 | P24 | O2 | 143.8° | 109.4° |
| O26 | P24 | O2 | 20.6° | 109.5° |
| P24 | O26 | H1 | 109.5° | 114.0° |
| P24 | O2 | H25 | 109.5° | 114.1° |
| H2 | C28 | H3 | 109.5° | 109.5° |
| H4 | C30 | H5 | 109.4° | 109.5° |
| H4 | C30 | H6 | 109.5° | 109.4° |
| H5 | C30 | H6 | 109.4° | 109.4° |
| H7 | C31 | H8 | 109.5° | 109.5° |
| H7 | C31 | H9 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.4° | 109.5° |
| H13 | C37 | H14 | 109.5° | 109.5° |
| H15 | C38 | H16 | 109.4° | 109.5° |
| H18 | C42 | H19 | 109.5° | 109.5° |
| H20 | C43 | H21 | 109.4° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H24 | 109.5° | 109.4° |
| H23 | C2 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | S1 | 177.4° | 180.0° |
| C2 | C1 | S1 | C43 | 96.2° | 180.0° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | H22 | H24 | 120.0° | 120.0° |
| C1 | C2 | H23 | H24 | 120.0° | 120.0° |
| O1 | C1 | S1 | C43 | 86.4° | 0.0° |
| O1 | C1 | C2 | H22 | 0.0° | 89.9° |
| O1 | C1 | C2 | H23 | 120.0° | 150.0° |
| O1 | C1 | C2 | H24 | 120.0° | 30.0° |
| C1 | S1 | C43 | C42 | 179.4° | 180.0° |
| C1 | S1 | C43 | H20 | 58.8° | 60.0° |
| C1 | S1 | C43 | H21 | 60.1° | 60.0° |
| S1 | C1 | C2 | H22 | 177.3° | 90.0° |
| S1 | C1 | C2 | H23 | 62.7° | 30.0° |
| S1 | C1 | C2 | H24 | 57.3° | 150.0° |
| S1 | C43 | C42 | H20 | 120.6° | 120.0° |
| S1 | C43 | C42 | H21 | 120.6° | 120.0° |
| S1 | C43 | C42 | N41 | 136.6° | 180.0° |
| S1 | C43 | C42 | H18 | 102.2° | 60.0° |
| S1 | C43 | C42 | H19 | 15.3° | 60.0° |
| S1 | C43 | H20 | H21 | 118.4° | 120.1° |
| C43 | C42 | N41 | H18 | 121.2° | 120.0° |
| C43 | C42 | N41 | H19 | 121.3° | 120.1° |
| C43 | C42 | N41 | C39 | 74.5° | 180.0° |
| C43 | C42 | N41 | H17 | 105.5° | 0.0° |
| C43 | C42 | H18 | H19 | 116.0° | 120.1° |
| C42 | C43 | H20 | H21 | 118.3° | 120.0° |
| O40 | C39 | N41 | C42 | 11.1° | 0.0° |
| O40 | C39 | N41 | C38 | 175.9° | 180.0° |
| O40 | C39 | C38 | C37 | 94.6° | 0.0° |
| O40 | C39 | C38 | H15 | 25.4° | 120.0° |
| O40 | C39 | C38 | H16 | 145.3° | 120.0° |
| O40 | C39 | N41 | H17 | 168.9° | 180.0° |
| C42 | N41 | C39 | H17 | 180.0° | 179.9° |
| C42 | N41 | C39 | C38 | 164.8° | 180.0° |
| N41 | C42 | H18 | H19 | 116.0° | 120.0° |
| N41 | C42 | C43 | H20 | 16.0° | 60.0° |
| N41 | C42 | C43 | H21 | 102.9° | 59.9° |
| N41 | C39 | C38 | C37 | 81.4° | 180.0° |
| N41 | C39 | C38 | H15 | 158.6° | 60.0° |
| N41 | C39 | C38 | H16 | 38.7° | 60.0° |
| C39 | N41 | C42 | H18 | 164.2° | 60.0° |
| C39 | N41 | C42 | H19 | 46.7° | 59.9° |
| C39 | C38 | C37 | H15 | 120.0° | 120.0° |
| C39 | C38 | C37 | H16 | 120.0° | 120.0° |
| C39 | C38 | C37 | N36 | 137.9° | 180.0° |
| C39 | C38 | C37 | H13 | 101.3° | 60.0° |
| C39 | C38 | C37 | H14 | 17.0° | 60.0° |
| C39 | C38 | H15 | H16 | 119.9° | 120.0° |
| C38 | C39 | N41 | H17 | 15.2° | 0.0° |
| C38 | C37 | N36 | H13 | 120.8° | 120.0° |
| C38 | C37 | N36 | H14 | 120.8° | 120.0° |
| C38 | C37 | N36 | C34 | 103.2° | 180.0° |
| C38 | C37 | N36 | H12 | 76.8° | 0.0° |
| C38 | C37 | H13 | H14 | 117.4° | 120.0° |
| C37 | C38 | H15 | H16 | 119.9° | 120.1° |
| C37 | N36 | C34 | H12 | 180.0° | 180.0° |
| C37 | N36 | C34 | C32 | 178.0° | 175.6° |
| C37 | N36 | C34 | O35 | 2.1° | 4.5° |
| N36 | C37 | H13 | H14 | 117.4° | 120.0° |
| N36 | C37 | C38 | H15 | 17.9° | 60.0° |
| N36 | C37 | C38 | H16 | 102.1° | 60.0° |
| N36 | C34 | C32 | O33 | 10.8° | 171.8° |
| N36 | C34 | C32 | O35 | 179.9° | 179.9° |
| N36 | C34 | C32 | C29 | 131.0° | 68.2° |
| N36 | C34 | C32 | H10 | 110.2° | 51.8° |
| C34 | N36 | C37 | H13 | 17.6° | 60.0° |
| C34 | N36 | C37 | H14 | 135.9° | 60.0° |
| O33 | C32 | C34 | C29 | 120.2° | 120.0° |
| O33 | C32 | C34 | H10 | 120.9° | 120.0° |
| O33 | C32 | C34 | O35 | 169.3° | 8.1° |
| O33 | C32 | C29 | H10 | 118.7° | 120.0° |
| O33 | C32 | C29 | C31 | 69.2° | 54.3° |
| O33 | C32 | C29 | C30 | 50.8° | 174.2° |
| O33 | C32 | C29 | C28 | 169.9° | 65.8° |
| C34 | C32 | C29 | H10 | 118.9° | 120.0° |
| C34 | C32 | C29 | C31 | 53.2° | 174.3° |
| C34 | C32 | C29 | C30 | 173.2° | 65.7° |
| C34 | C32 | C29 | C28 | 67.7° | 54.3° |
| C34 | C32 | O33 | H11 | 180.0° | 60.0° |
| C32 | C34 | N36 | H12 | 2.0° | 4.4° |
| O35 | C34 | C32 | C29 | 49.1° | 111.9° |
| O35 | C34 | C32 | H10 | 69.7° | 128.1° |
| O35 | C34 | N36 | H12 | 177.9° | 175.5° |
| C32 | C29 | C31 | C30 | 119.7° | 120.0° |
| C32 | C29 | C31 | C28 | 119.9° | 120.0° |
| C32 | C29 | C30 | C28 | 119.2° | 120.0° |
| C32 | C29 | C28 | O27 | 151.8° | 180.0° |
| C32 | C29 | C28 | H2 | 31.7° | 60.0° |
| C32 | C29 | C28 | H3 | 88.2° | 60.0° |
| C32 | C29 | C30 | H4 | 180.0° | 173.6° |
| C32 | C29 | C30 | H5 | 60.0° | 53.6° |
| C32 | C29 | C30 | H6 | 60.0° | 66.4° |
| C32 | C29 | C31 | H7 | 180.0° | 176.6° |
| C32 | C29 | C31 | H8 | 60.0° | 56.6° |
| C32 | C29 | C31 | H9 | 60.0° | 63.4° |
| C29 | C32 | O33 | H11 | 58.2° | 60.0° |
| C31 | C29 | C30 | C28 | 121.5° | 120.0° |
| C31 | C29 | C28 | O27 | 88.6° | 60.0° |
| C31 | C29 | C28 | H2 | 151.4° | 60.0° |
| C31 | C29 | C28 | H3 | 31.4° | 180.0° |
| C31 | C29 | C30 | H4 | 60.7° | 53.6° |
| C31 | C29 | C30 | H5 | 59.3° | 66.4° |
| C31 | C29 | C30 | H6 | 179.2° | 173.6° |
| C29 | C31 | H7 | H8 | 120.0° | 120.0° |
| C29 | C31 | H7 | H9 | 120.0° | 120.0° |
| C29 | C31 | H8 | H9 | 120.0° | 120.0° |
| C31 | C29 | C32 | H10 | 172.1° | 65.7° |
| C30 | C29 | C28 | O27 | 32.3° | 60.0° |
| C30 | C29 | C28 | H2 | 87.7° | 180.0° |
| C30 | C29 | C28 | H3 | 152.3° | 60.0° |
| C29 | C30 | H4 | H5 | 120.0° | 120.1° |
| C29 | C30 | H4 | H6 | 120.0° | 120.0° |
| C29 | C30 | H5 | H6 | 120.0° | 120.0° |
| C30 | C29 | C31 | H7 | 60.3° | 63.4° |
| C30 | C29 | C31 | H8 | 179.7° | 176.6° |
| C30 | C29 | C31 | H9 | 59.7° | 56.6° |
| C30 | C29 | C32 | H10 | 67.9° | 54.3° |
| C29 | C28 | O27 | H2 | 120.0° | 120.0° |
| C29 | C28 | O27 | H3 | 120.0° | 120.0° |
| C29 | C28 | O27 | P24 | 175.9° | 180.0° |
| C29 | C28 | H2 | H3 | 120.0° | 120.0° |
| C28 | C29 | C30 | H4 | 60.8° | 66.4° |
| C28 | C29 | C30 | H5 | 179.2° | 173.5° |
| C28 | C29 | C30 | H6 | 59.3° | 53.5° |
| C28 | C29 | C31 | H7 | 60.1° | 56.6° |
| C28 | C29 | C31 | H8 | 59.9° | 63.4° |
| C28 | C29 | C31 | H9 | 179.8° | 176.6° |
| C28 | C29 | C32 | H10 | 51.2° | 174.3° |
| C28 | O27 | P24 | O23 | 79.5° | 55.0° |
| C28 | O27 | P24 | O26 | 146.0° | 65.0° |
| C28 | O27 | P24 | O2 | 131.5° | 175.0° |
| O27 | C28 | H2 | H3 | 120.0° | 120.0° |
| O27 | P24 | O23 | O26 | 125.1° | 120.0° |
| O27 | P24 | O23 | O2 | 119.4° | 120.0° |
| O27 | P24 | O26 | O2 | 45.2° | 120.0° |
| O27 | P24 | O26 | H1 | 125.2° | 60.0° |
| P24 | O27 | C28 | H2 | 64.1° | 60.0° |
| P24 | O27 | C28 | H3 | 55.9° | 60.0° |
| O27 | P24 | O2 | H25 | 123.6° | 180.0° |
| O23 | P24 | O26 | O2 | 170.4° | 120.0° |
| O23 | P24 | O26 | H1 | 0.0° | 180.0° |
| O23 | P24 | O2 | H25 | 0.0° | 60.0° |
| O26 | P24 | O2 | H25 | 13.6° | 59.9° |
| O2 | P24 | O26 | H1 | 170.4° | 60.1° |
| H4 | C30 | H5 | H6 | 120.0° | 119.9° |
| H7 | C31 | H8 | H9 | 120.0° | 120.0° |
| H10 | C32 | O33 | H11 | 59.7° | 180.0° |
| H12 | N36 | C37 | H13 | 162.4° | 120.0° |
| H12 | N36 | C37 | H14 | 44.1° | 120.0° |
| H13 | C37 | C38 | H15 | 138.7° | 180.0° |
| H13 | C37 | C38 | H16 | 18.8° | 60.0° |
| H14 | C37 | C38 | H15 | 103.0° | 60.0° |
| H14 | C37 | C38 | H16 | 137.1° | 179.9° |
| H17 | N41 | C42 | H18 | 15.8° | 120.0° |
| H17 | N41 | C42 | H19 | 133.3° | 120.0° |
| H18 | C42 | C43 | H20 | 137.3° | 180.0° |
| H18 | C42 | C43 | H21 | 18.4° | 60.0° |
| H19 | C42 | C43 | H20 | 105.2° | 60.0° |
| H19 | C42 | C43 | H21 | 135.9° | 180.0° |
| H22 | C2 | H23 | H24 | 120.0° | 120.0° |
