04P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C32 | sing | 1.53Å | 1.54Å | |
| C27 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | N37 | sing | 1.47Å | 1.51Å | |
| C33 | C38 | sing | 1.53Å | 1.52Å | |
| N37 | C40 | sing | 1.47Å | 1.52Å | |
| N37 | C41 | sing | 1.37Å | 1.39Å | |
| C38 | C40 | sing | 1.53Å | 1.56Å | |
| C41 | N42 | doub | 1.30Å | 1.32Å | |
| C41 | N43 | sing | 1.38Å | 1.31Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| N42 | H42 | sing | 0.97Å | 1.00Å | |
| N43 | H431 | sing | 0.97Å | 1.00Å | |
| N43 | H432 | sing | 0.97Å | 1.00Å | |
| C20 | OXT | sing | 1.43Å | 1.49Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C27 | C32 | 112.8° | 109.5° |
| C20 | C27 | C33 | 110.4° | 109.5° |
| C27 | C20 | H201 | 107.3° | 109.5° |
| C27 | C20 | H202 | 107.3° | 109.5° |
| C20 | C27 | H27 | 107.9° | 109.5° |
| C27 | C20 | OXT | 118.0° | 109.5° |
| C32 | C27 | C33 | 110.0° | 109.3° |
| C27 | C32 | N37 | 105.1° | 108.8° |
| C32 | C27 | H27 | 107.9° | 109.5° |
| C27 | C32 | H321 | 110.6° | 109.6° |
| C27 | C32 | H322 | 110.6° | 109.6° |
| C27 | C33 | C38 | 109.4° | 109.5° |
| C33 | C27 | H27 | 107.7° | 109.5° |
| C27 | C33 | H331 | 109.5° | 109.5° |
| C27 | C33 | H332 | 109.5° | 109.4° |
| C32 | N37 | C40 | 117.1° | 118.8° |
| C32 | N37 | C41 | 117.9° | 120.6° |
| N37 | C32 | H321 | 110.5° | 109.6° |
| N37 | C32 | H322 | 110.6° | 109.6° |
| C33 | C38 | C40 | 109.7° | 109.3° |
| C38 | C33 | H331 | 109.5° | 109.5° |
| C38 | C33 | H332 | 109.5° | 109.5° |
| C33 | C38 | H381 | 109.4° | 109.5° |
| C33 | C38 | H382 | 109.4° | 109.5° |
| C40 | N37 | C41 | 119.7° | 120.6° |
| N37 | C40 | C38 | 108.2° | 108.7° |
| N37 | C40 | H401 | 109.8° | 109.6° |
| N37 | C40 | H402 | 109.8° | 109.6° |
| N37 | C41 | N42 | 115.1° | 120.0° |
| N37 | C41 | N43 | 120.0° | 120.0° |
| C40 | C38 | H381 | 109.4° | 109.5° |
| C40 | C38 | H382 | 109.4° | 109.6° |
| C38 | C40 | H401 | 109.8° | 109.6° |
| C38 | C40 | H402 | 109.8° | 109.6° |
| N42 | C41 | N43 | 124.9° | 120.0° |
| C41 | N42 | H42 | 112.0° | 120.0° |
| C41 | N43 | H431 | 120.0° | 120.0° |
| C41 | N43 | H432 | 120.0° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | OXT | 107.3° | 109.5° |
| H202 | C20 | OXT | 107.3° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.7° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.6° |
| H401 | C40 | H402 | 109.5° | 109.7° |
| H431 | N43 | H432 | 120.0° | 120.0° |
| C20 | OXT | HXT | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C27 | C32 | C33 | 123.7° | 120.0° |
| C20 | C27 | C32 | H27 | 119.1° | 120.1° |
| C20 | C27 | C33 | H27 | 117.6° | 120.1° |
| C20 | C27 | C32 | N37 | 176.8° | 174.6° |
| C20 | C27 | C33 | C38 | 171.1° | 178.7° |
| C27 | C20 | H201 | H202 | 116.1° | 120.0° |
| C27 | C20 | H201 | OXT | 127.7° | 120.0° |
| C27 | C20 | H202 | OXT | 127.7° | 120.0° |
| C20 | C27 | C32 | H321 | 57.5° | 65.6° |
| C20 | C27 | C32 | H322 | 63.9° | 54.8° |
| C20 | C27 | C33 | H331 | 68.9° | 61.3° |
| C20 | C27 | C33 | H332 | 51.1° | 58.6° |
| C27 | C20 | OXT | HXT | 180.0° | 180.0° |
| C32 | C27 | C33 | H27 | 117.4° | 119.9° |
| C27 | C32 | N37 | H321 | 119.3° | 119.8° |
| C27 | C32 | N37 | H322 | 119.3° | 119.8° |
| C32 | C27 | C33 | C38 | 63.9° | 61.4° |
| C27 | C32 | N37 | C40 | 59.0° | 53.6° |
| C27 | C32 | N37 | C41 | 95.2° | 126.4° |
| C32 | C27 | C20 | H201 | 57.1° | 175.0° |
| C32 | C27 | C20 | H202 | 174.7° | 55.0° |
| C27 | C32 | H321 | H322 | 122.0° | 120.4° |
| C32 | C27 | C33 | H331 | 56.1° | 58.7° |
| C32 | C27 | C33 | H332 | 176.1° | 178.6° |
| C32 | C27 | C20 | OXT | 64.1° | 65.0° |
| C33 | C27 | C32 | N37 | 59.6° | 54.6° |
| C27 | C33 | C38 | H331 | 120.0° | 120.1° |
| C27 | C33 | C38 | H332 | 119.9° | 120.0° |
| C27 | C33 | C38 | C40 | 59.7° | 61.4° |
| C33 | C27 | C20 | H201 | 179.4° | 55.2° |
| C33 | C27 | C20 | H202 | 61.9° | 64.8° |
| C33 | C27 | C32 | H321 | 178.9° | 174.4° |
| C33 | C27 | C32 | H322 | 59.7° | 65.2° |
| C27 | C33 | H331 | H332 | 120.0° | 119.9° |
| C27 | C33 | C38 | H381 | 179.7° | 178.7° |
| C27 | C33 | C38 | H382 | 60.3° | 58.6° |
| C33 | C27 | C20 | OXT | 59.4° | 175.2° |
| C32 | N37 | C40 | C41 | 153.7° | 180.0° |
| C32 | N37 | C40 | C38 | 56.9° | 53.6° |
| C32 | N37 | C41 | N42 | 174.7° | 5.6° |
| C32 | N37 | C41 | N43 | 4.7° | 174.5° |
| N37 | C32 | C27 | H27 | 57.7° | 65.3° |
| N37 | C32 | H321 | H322 | 122.0° | 120.3° |
| C32 | N37 | C40 | H401 | 176.7° | 173.4° |
| C32 | N37 | C40 | H402 | 62.9° | 66.1° |
| C33 | C38 | C40 | N37 | 54.2° | 54.6° |
| C33 | C38 | C40 | H381 | 120.1° | 119.9° |
| C33 | C38 | C40 | H382 | 120.0° | 119.9° |
| C38 | C33 | C27 | H27 | 53.5° | 58.6° |
| C38 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | C38 | H381 | H382 | 119.9° | 120.0° |
| C33 | C38 | C40 | H401 | 174.0° | 174.4° |
| C33 | C38 | C40 | H402 | 65.6° | 65.1° |
| N37 | C40 | C38 | H401 | 119.8° | 119.8° |
| N37 | C40 | C38 | H402 | 119.8° | 119.8° |
| C40 | N37 | C41 | N42 | 21.2° | 174.5° |
| C40 | N37 | C41 | N43 | 158.3° | 5.5° |
| C40 | N37 | C32 | H321 | 178.3° | 173.4° |
| C40 | N37 | C32 | H322 | 60.3° | 66.2° |
| N37 | C40 | C38 | H381 | 174.2° | 174.5° |
| N37 | C40 | C38 | H382 | 65.9° | 65.3° |
| N37 | C40 | H401 | H402 | 120.6° | 120.4° |
| C41 | N37 | C40 | C38 | 96.8° | 126.4° |
| N37 | C41 | N42 | N43 | 179.4° | 180.0° |
| C41 | N37 | C32 | H321 | 24.1° | 6.6° |
| C41 | N37 | C32 | H322 | 145.5° | 113.8° |
| C41 | N37 | C40 | H401 | 23.0° | 6.6° |
| C41 | N37 | C40 | H402 | 143.4° | 113.8° |
| N37 | C41 | N42 | H42 | 179.4° | 180.0° |
| N37 | C41 | N43 | H431 | 179.4° | 5.0° |
| N37 | C41 | N43 | H432 | 0.6° | 175.1° |
| C40 | C38 | C33 | H331 | 60.2° | 58.7° |
| C40 | C38 | C33 | H332 | 179.7° | 178.6° |
| C40 | C38 | H381 | H382 | 119.8° | 120.2° |
| C38 | C40 | H401 | H402 | 120.6° | 120.4° |
| N42 | C41 | N43 | H431 | 0.0° | 175.0° |
| N42 | C41 | N43 | H432 | 180.0° | 5.0° |
| N43 | C41 | N42 | H42 | 0.0° | 0.1° |
| C41 | N43 | H431 | H432 | 180.0° | 180.0° |
| H201 | C20 | H202 | OXT | 116.1° | 120.0° |
| H201 | C20 | C27 | H27 | 62.0° | 65.0° |
| H201 | C20 | OXT | HXT | 58.8° | 60.0° |
| H202 | C20 | C27 | H27 | 55.6° | 175.0° |
| H202 | C20 | OXT | HXT | 58.8° | 60.0° |
| H27 | C27 | C32 | H321 | 61.6° | 54.4° |
| H27 | C27 | C32 | H322 | 177.0° | 174.9° |
| H27 | C27 | C33 | H331 | 173.5° | 178.6° |
| H27 | C27 | C33 | H332 | 66.5° | 61.5° |
| H27 | C27 | C20 | OXT | 176.8° | 55.0° |
| H331 | C33 | C38 | H381 | 59.8° | 61.2° |
| H331 | C33 | C38 | H382 | 179.7° | 178.7° |
| H332 | C33 | C38 | H381 | 60.3° | 58.7° |
| H332 | C33 | C38 | H382 | 59.6° | 61.4° |
| H381 | C38 | C40 | H401 | 66.0° | 65.7° |
| H381 | C38 | C40 | H402 | 54.4° | 54.8° |
| H382 | C38 | C40 | H401 | 53.9° | 54.5° |
| H382 | C38 | C40 | H402 | 174.4° | 174.9° |
