SNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAH | sing | 1.53Å | 1.52Å | |
| CAO | OAN | sing | 1.43Å | 1.40Å | |
| CAH | CAG | sing | 1.53Å | 1.41Å | |
| CAH | OAI | sing | 1.43Å | 1.41Å | |
| CAG | OAC | sing | 1.43Å | 1.46Å | |
| CAG | CAF | sing | 1.53Å | 1.43Å | |
| OAQ | CAM | sing | 1.43Å | 1.31Å | |
| OAN | CAM | sing | 1.43Å | 1.38Å | |
| NE2 | CD | sing | 1.35Å | 1.39Å | |
| CAM | CAF | sing | 1.53Å | 1.52Å | |
| CAM | CAL | sing | 1.53Å | 1.50Å | |
| CAF | OAB | sing | 1.43Å | 1.41Å | |
| CD | CG | sing | 1.51Å | 1.51Å | |
| CD | OE1 | doub | 1.21Å | 1.20Å | |
| CG | CB | sing | 1.53Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N | CAL | sing | 1.47Å | 1.44Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.22Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| OAC | H4 | sing | 0.97Å | 0.95Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| OAI | H6 | sing | 0.97Å | 0.95Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| OAQ | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CG | H16 | sing | 1.09Å | 1.10Å | |
| NE2 | H17 | sing | 0.97Å | 1.00Å | |
| NE2 | H18 | sing | 0.97Å | 1.00Å | |
| OXT | H19 | sing | 0.97Å | 0.95Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CG | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAO | OAN | 111.3° | 109.4° |
| CAO | CAH | CAG | 113.5° | 109.2° |
| CAO | CAH | OAI | 110.4° | 109.5° |
| CAO | CAH | H5 | 106.1° | 109.6° |
| CAH | CAO | H7 | 109.0° | 109.5° |
| CAH | CAO | H8 | 109.0° | 109.5° |
| CAO | OAN | CAM | 117.7° | 114.2° |
| OAN | CAO | H7 | 109.0° | 109.5° |
| OAN | CAO | H8 | 109.0° | 109.4° |
| CAG | CAH | OAI | 111.6° | 109.5° |
| CAH | CAG | OAC | 111.3° | 109.6° |
| CAH | CAG | CAF | 115.5° | 109.1° |
| CAH | CAG | H3 | 106.3° | 109.6° |
| CAG | CAH | H5 | 107.3° | 109.5° |
| OAI | CAH | H5 | 107.4° | 109.5° |
| CAH | OAI | H6 | 109.5° | 114.0° |
| OAC | CAG | CAF | 111.0° | 109.5° |
| OAC | CAG | H3 | 105.8° | 109.5° |
| CAG | OAC | H4 | 109.5° | 114.0° |
| CAG | CAF | CAM | 111.4° | 109.2° |
| CAG | CAF | OAB | 117.5° | 109.5° |
| CAG | CAF | H2 | 104.0° | 109.5° |
| CAF | CAG | H3 | 106.2° | 109.5° |
| OAQ | CAM | OAN | 112.2° | 109.5° |
| OAQ | CAM | CAF | 107.2° | 109.4° |
| OAQ | CAM | CAL | 108.6° | 109.5° |
| CAM | OAQ | H9 | 109.5° | 114.0° |
| OAN | CAM | CAF | 109.7° | 109.4° |
| OAN | CAM | CAL | 106.3° | 109.5° |
| NE2 | CD | CG | 120.1° | 120.0° |
| NE2 | CD | OE1 | 119.4° | 120.0° |
| CD | NE2 | H17 | 120.0° | 120.0° |
| CD | NE2 | H18 | 120.0° | 120.0° |
| CAF | CAM | CAL | 113.0° | 109.6° |
| CAM | CAF | OAB | 114.7° | 109.5° |
| CAM | CAF | H2 | 103.1° | 109.5° |
| CAM | CAL | N | 115.0° | 109.5° |
| CAM | CAL | H10 | 108.1° | 109.5° |
| CAM | CAL | H11 | 108.1° | 109.5° |
| CAF | OAB | H1 | 109.5° | 114.0° |
| OAB | CAF | H2 | 104.2° | 109.5° |
| CG | CD | OE1 | 120.5° | 120.0° |
| CD | CG | CB | 116.8° | 109.5° |
| CD | CG | H16 | 107.6° | 109.4° |
| CD | CG | H20 | 107.6° | 109.5° |
| CG | CB | CA | 117.0° | 109.5° |
| CG | CB | H15 | 107.6° | 109.5° |
| CB | CG | H16 | 107.6° | 109.5° |
| CG | CB | H13 | 107.6° | 109.5° |
| CB | CG | H20 | 107.6° | 109.5° |
| O | C | CA | 120.9° | 120.0° |
| O | C | OXT | 120.9° | 120.1° |
| CAL | N | CA | 115.0° | 111.0° |
| N | CAL | H10 | 108.1° | 109.5° |
| N | CAL | H11 | 108.1° | 109.5° |
| CAL | N | H12 | 108.1° | 111.0° |
| N | CA | C | 109.4° | 109.5° |
| N | CA | CB | 109.7° | 109.4° |
| CA | N | H12 | 108.1° | 111.0° |
| N | CA | H14 | 110.7° | 109.4° |
| CA | C | OXT | 118.1° | 119.9° |
| C | CA | CB | 107.6° | 109.5° |
| C | CA | H14 | 110.0° | 109.5° |
| C | OXT | H19 | 109.5° | 116.9° |
| CB | CA | H14 | 109.4° | 109.5° |
| CA | CB | H15 | 107.6° | 109.5° |
| CA | CB | H13 | 107.6° | 109.4° |
| H7 | CAO | H8 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.4° | 109.5° |
| H15 | CB | H13 | 109.5° | 109.5° |
| H16 | CG | H20 | 109.4° | 109.4° |
| H17 | NE2 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAO | OAN | H7 | 120.3° | 120.0° |
| CAH | CAO | OAN | H8 | 120.3° | 120.0° |
| CAO | CAH | CAG | OAI | 125.6° | 119.9° |
| CAO | CAH | CAG | H5 | 117.0° | 120.0° |
| CAO | CAH | OAI | H5 | 115.3° | 120.2° |
| CAO | CAH | CAG | OAC | 173.1° | 176.8° |
| CAO | CAH | CAG | CAF | 45.4° | 56.9° |
| CAH | CAO | OAN | CAM | 50.4° | 61.1° |
| CAO | CAH | CAG | H3 | 72.1° | 63.0° |
| CAO | CAH | OAI | H6 | 180.0° | 60.3° |
| CAH | CAO | H7 | H8 | 119.2° | 120.0° |
| OAN | CAO | CAH | CAG | 42.8° | 57.6° |
| OAN | CAO | CAH | OAI | 83.4° | 62.3° |
| CAO | OAN | CAM | OAQ | 63.8° | 58.8° |
| CAO | OAN | CAM | CAF | 55.2° | 61.0° |
| CAO | OAN | CAM | CAL | 177.7° | 178.9° |
| OAN | CAO | CAH | H5 | 160.5° | 177.5° |
| OAN | CAO | H7 | H8 | 119.2° | 120.0° |
| CAG | CAH | OAI | H5 | 117.4° | 120.1° |
| CAH | CAG | OAC | CAF | 130.1° | 119.6° |
| CAH | CAG | OAC | H3 | 115.1° | 120.3° |
| CAH | CAG | CAF | H3 | 117.6° | 120.0° |
| CAH | CAG | CAF | CAM | 49.9° | 56.9° |
| CAH | CAG | CAF | OAB | 175.0° | 176.9° |
| CAH | CAG | CAF | H2 | 60.5° | 63.0° |
| CAH | CAG | OAC | H4 | 180.0° | 60.4° |
| CAG | CAH | OAI | H6 | 52.8° | 180.0° |
| CAG | CAH | CAO | H7 | 163.1° | 177.6° |
| CAG | CAH | CAO | H8 | 77.4° | 62.4° |
| OAI | CAH | CAG | OAC | 47.6° | 56.9° |
| OAI | CAH | CAG | CAF | 80.2° | 63.0° |
| OAI | CAH | CAG | H3 | 162.3° | 177.1° |
| OAI | CAH | CAO | H7 | 36.9° | 57.7° |
| OAI | CAH | CAO | H8 | 156.4° | 177.7° |
| OAC | CAG | CAF | H3 | 114.5° | 120.1° |
| OAC | CAG | CAF | CAM | 177.8° | 176.8° |
| OAC | CAG | CAF | OAB | 47.1° | 63.2° |
| OAC | CAG | CAF | H2 | 67.4° | 56.9° |
| OAC | CAG | CAH | H5 | 69.9° | 63.2° |
| CAG | CAF | CAM | OAQ | 69.8° | 62.4° |
| CAG | CAF | CAM | OAN | 52.2° | 57.5° |
| CAG | CAF | CAM | OAB | 136.5° | 119.9° |
| CAG | CAF | CAM | H2 | 110.9° | 119.9° |
| CAG | CAF | CAM | CAL | 170.6° | 177.5° |
| CAG | CAF | OAB | H2 | 114.3° | 120.1° |
| CAG | CAF | OAB | H1 | 180.0° | 60.2° |
| CAF | CAG | OAC | H4 | 49.9° | 180.0° |
| CAF | CAG | CAH | H5 | 162.3° | 176.9° |
| OAQ | CAM | OAN | CAF | 119.0° | 119.9° |
| OAQ | CAM | OAN | CAL | 118.5° | 120.0° |
| OAQ | CAM | CAF | CAL | 119.6° | 120.1° |
| OAQ | CAM | CAF | OAB | 66.7° | 57.5° |
| OAQ | CAM | CAL | N | 69.4° | 60.0° |
| OAQ | CAM | CAF | H2 | 179.3° | 177.7° |
| OAQ | CAM | CAL | H10 | 51.5° | 60.0° |
| OAQ | CAM | CAL | H11 | 169.8° | 180.0° |
| OAN | CAM | CAF | CAL | 118.4° | 120.0° |
| OAN | CAM | CAF | OAB | 171.3° | 177.4° |
| OAN | CAM | CAL | N | 51.5° | 60.0° |
| OAN | CAM | CAF | H2 | 58.7° | 62.4° |
| CAM | OAN | CAO | H7 | 170.7° | 178.9° |
| CAM | OAN | CAO | H8 | 69.8° | 58.9° |
| OAN | CAM | OAQ | H9 | 180.0° | 60.1° |
| OAN | CAM | CAL | H10 | 172.4° | 180.0° |
| OAN | CAM | CAL | H11 | 69.3° | 60.0° |
| NE2 | CD | CG | OE1 | 178.5° | 179.9° |
| NE2 | CD | CG | CB | 153.6° | 180.0° |
| NE2 | CD | CG | H16 | 85.3° | 60.0° |
| CD | NE2 | H17 | H18 | 180.0° | 180.0° |
| NE2 | CD | CG | H20 | 32.5° | 59.9° |
| CAM | CAF | OAB | H2 | 111.9° | 120.1° |
| CAF | CAM | CAL | N | 171.9° | 180.0° |
| CAM | CAF | OAB | H1 | 46.3° | 179.9° |
| CAM | CAF | CAG | H3 | 67.7° | 63.1° |
| CAF | CAM | OAQ | H9 | 59.6° | 179.9° |
| CAF | CAM | CAL | H10 | 67.3° | 60.0° |
| CAF | CAM | CAL | H11 | 51.1° | 60.0° |
| CAL | CAM | CAF | OAB | 52.9° | 62.6° |
| CAM | CAL | N | H10 | 120.8° | 120.0° |
| CAM | CAL | N | H11 | 120.8° | 120.0° |
| CAM | CAL | N | CA | 169.8° | 180.0° |
| CAL | CAM | CAF | H2 | 59.7° | 57.6° |
| CAL | CAM | OAQ | H9 | 62.8° | 59.9° |
| CAM | CAL | H10 | H11 | 117.5° | 120.0° |
| CAM | CAL | N | H12 | 69.4° | 56.1° |
| OAB | CAF | CAG | H3 | 67.4° | 56.9° |
| CD | CG | CB | H16 | 121.1° | 120.0° |
| CD | CG | CB | H20 | 121.1° | 120.0° |
| CD | CG | CB | CA | 172.4° | 180.0° |
| CD | CG | CB | H15 | 51.3° | 60.0° |
| CD | CG | H16 | H20 | 116.7° | 120.0° |
| CG | CD | NE2 | H17 | 178.5° | 0.0° |
| CG | CD | NE2 | H18 | 1.5° | 180.0° |
| CD | CG | CB | H13 | 66.5° | 60.0° |
| OE1 | CD | CG | CB | 24.9° | 0.0° |
| OE1 | CD | CG | H16 | 96.2° | 120.1° |
| OE1 | CD | NE2 | H17 | 0.0° | 179.9° |
| OE1 | CD | NE2 | H18 | 180.0° | 0.0° |
| OE1 | CD | CG | H20 | 146.0° | 120.0° |
| CG | CB | CA | N | 62.7° | 65.0° |
| CG | CB | CA | C | 56.2° | 175.0° |
| CG | CB | CA | H15 | 121.1° | 120.0° |
| CG | CB | CA | H13 | 121.1° | 120.0° |
| CG | CB | CA | H14 | 175.7° | 54.9° |
| CG | CB | H15 | H13 | 116.6° | 120.0° |
| CB | CG | H16 | H20 | 116.6° | 120.0° |
| O | C | CA | N | 2.9° | 0.0° |
| O | C | CA | OXT | 178.1° | 179.9° |
| O | C | CA | CB | 116.2° | 119.9° |
| O | C | CA | H14 | 124.7° | 120.0° |
| O | C | OXT | H19 | 0.0° | 0.1° |
| CAL | N | CA | H12 | 120.8° | 123.9° |
| CAL | N | CA | C | 84.4° | 85.0° |
| CAL | N | CA | CB | 157.8° | 155.0° |
| N | CAL | H10 | H11 | 117.5° | 120.0° |
| CAL | N | CA | H14 | 36.9° | 35.0° |
| N | CA | C | CB | 119.1° | 120.0° |
| N | CA | C | H14 | 121.8° | 120.0° |
| N | CA | C | OXT | 179.0° | 180.0° |
| N | CA | CB | H14 | 121.6° | 119.9° |
| CA | N | CAL | H10 | 48.9° | 60.0° |
| CA | N | CAL | H11 | 69.4° | 60.0° |
| N | CA | CB | H15 | 58.4° | 55.0° |
| N | CA | CB | H13 | 176.2° | 175.0° |
| C | CA | CB | H14 | 119.5° | 120.1° |
| C | CA | N | H12 | 154.8° | 151.1° |
| C | CA | CB | H15 | 177.3° | 65.0° |
| CA | C | OXT | H19 | 178.1° | 180.0° |
| C | CA | CB | H13 | 64.9° | 55.0° |
| OXT | C | CA | CB | 61.9° | 60.0° |
| OXT | C | CA | H14 | 57.2° | 60.1° |
| CB | CA | N | H12 | 37.0° | 31.1° |
| CA | CB | H15 | H13 | 116.6° | 120.0° |
| CA | CB | CG | H16 | 66.6° | 60.0° |
| CA | CB | CG | H20 | 51.3° | 60.0° |
| H1 | OAB | CAF | H2 | 65.7° | 59.9° |
| H2 | CAF | CAG | H3 | 178.1° | 177.0° |
| H3 | CAG | OAC | H4 | 64.9° | 59.8° |
| H3 | CAG | CAH | H5 | 44.8° | 57.0° |
| H5 | CAH | OAI | H6 | 64.6° | 59.9° |
| H5 | CAH | CAO | H7 | 79.2° | 62.5° |
| H5 | CAH | CAO | H8 | 40.2° | 57.6° |
| H10 | CAL | N | H12 | 169.7° | 176.1° |
| H11 | CAL | N | H12 | 51.4° | 64.0° |
| H12 | N | CA | H14 | 83.9° | 88.9° |
| H14 | CA | CB | H15 | 63.2° | 175.0° |
| H14 | CA | CB | H13 | 54.6° | 65.0° |
| H15 | CB | CG | H16 | 172.4° | 180.0° |
| H15 | CB | CG | H20 | 69.8° | 60.0° |
| H16 | CG | CB | H13 | 54.5° | 60.0° |
| H13 | CB | CG | H20 | 172.4° | 179.9° |
