01M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O28 | doub | 1.21Å | 1.12Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.47Å | |
| C29 | C34 | sing | 1.53Å | 1.43Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.37Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N31 | C32 | sing | 1.47Å | 1.23Å | |
| N31 | C35 | sing | 1.37Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.20Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.41Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | N37 | doub | 1.30Å | 1.34Å | |
| C35 | N36 | sing | 1.37Å | 1.41Å | |
| N37 | HN7 | sing | 0.97Å | 1.00Å | |
| N36 | HN61 | sing | 0.97Å | 1.00Å | |
| N36 | HN62 | sing | 0.97Å | 1.00Å | |
| C27 | OXT | sing | 1.34Å | 66.24Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C29 | 114.0° | 120.0° |
| O28 | C27 | OXT | 152.3° | 120.0° |
| C27 | C29 | C30 | 110.1° | 109.5° |
| C27 | C29 | C34 | 117.8° | 109.5° |
| C27 | C29 | H29 | 102.8° | 109.5° |
| C29 | C27 | OXT | 67.6° | 120.0° |
| C30 | C29 | C34 | 108.5° | 109.3° |
| C30 | C29 | H29 | 113.2° | 109.5° |
| C29 | C30 | N31 | 105.3° | 108.7° |
| C29 | C30 | H301 | 110.9° | 109.6° |
| C29 | C30 | H302 | 110.9° | 109.6° |
| C34 | C29 | H29 | 104.5° | 109.5° |
| C29 | C34 | C33 | 109.2° | 109.5° |
| C29 | C34 | H341 | 109.6° | 109.5° |
| C29 | C34 | H342 | 109.6° | 109.5° |
| N31 | C30 | H301 | 110.9° | 109.6° |
| N31 | C30 | H302 | 110.9° | 109.6° |
| C30 | N31 | C32 | 116.2° | 118.7° |
| C30 | N31 | C35 | 124.1° | 120.7° |
| H301 | C30 | H302 | 108.0° | 109.7° |
| C32 | N31 | C35 | 119.0° | 120.7° |
| N31 | C32 | C33 | 124.5° | 108.8° |
| N31 | C32 | H321 | 104.7° | 109.6° |
| N31 | C32 | H322 | 104.7° | 109.6° |
| N31 | C35 | N37 | 125.3° | 120.0° |
| N31 | C35 | N36 | 118.5° | 120.0° |
| C33 | C32 | H321 | 104.7° | 109.6° |
| C33 | C32 | H322 | 104.7° | 109.5° |
| C32 | C33 | C34 | 109.7° | 109.3° |
| C32 | C33 | H331 | 109.4° | 109.6° |
| C32 | C33 | H332 | 109.4° | 109.5° |
| H321 | C32 | H322 | 113.8° | 109.7° |
| C34 | C33 | H331 | 109.4° | 109.5° |
| C34 | C33 | H332 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.6° | 109.4° |
| C33 | C34 | H342 | 109.6° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.3° | 109.5° |
| N37 | C35 | N36 | 116.1° | 120.0° |
| C35 | N37 | HN7 | 112.0° | 120.0° |
| C35 | N36 | HN61 | 120.0° | 120.0° |
| C35 | N36 | HN62 | 120.0° | 120.0° |
| HN61 | N36 | HN62 | 120.1° | 119.9° |
| C27 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C29 | OXT | 149.8° | 179.7° |
| O28 | C27 | C29 | C30 | 2.5° | 120.0° |
| O28 | C27 | C29 | C34 | 127.5° | 0.2° |
| O28 | C27 | C29 | H29 | 118.3° | 119.9° |
| O28 | C27 | OXT | HXT | 90.0° | 0.0° |
| C27 | C29 | C30 | C34 | 130.2° | 119.9° |
| C27 | C29 | C30 | H29 | 114.3° | 120.0° |
| C27 | C29 | C34 | H29 | 113.2° | 120.0° |
| C27 | C29 | C30 | N31 | 175.9° | 174.6° |
| C27 | C29 | C30 | H301 | 64.1° | 54.8° |
| C27 | C29 | C30 | H302 | 55.9° | 65.6° |
| C27 | C29 | C34 | C33 | 176.9° | 178.7° |
| C27 | C29 | C34 | H341 | 56.9° | 58.7° |
| C27 | C29 | C34 | H342 | 63.0° | 61.3° |
| C29 | C27 | OXT | HXT | 90.0° | 179.7° |
| C30 | C29 | C34 | H29 | 121.0° | 120.0° |
| C29 | C30 | N31 | H301 | 120.0° | 119.8° |
| C29 | C30 | N31 | H302 | 120.0° | 119.8° |
| C29 | C30 | H301 | H302 | 121.7° | 120.4° |
| C29 | C30 | N31 | C32 | 48.8° | 53.6° |
| C29 | C30 | N31 | C35 | 122.1° | 126.4° |
| C30 | C29 | C34 | C33 | 57.3° | 61.4° |
| C30 | C29 | C34 | H341 | 177.3° | 178.7° |
| C30 | C29 | C34 | H342 | 62.7° | 58.6° |
| C30 | C29 | C27 | OXT | 152.3° | 59.7° |
| C34 | C29 | C30 | N31 | 54.0° | 54.7° |
| C34 | C29 | C30 | H301 | 66.0° | 65.1° |
| C34 | C29 | C30 | H302 | 173.9° | 174.4° |
| C29 | C34 | C33 | C32 | 51.7° | 61.3° |
| C29 | C34 | C33 | H341 | 120.0° | 120.0° |
| C29 | C34 | C33 | H342 | 120.0° | 120.0° |
| C29 | C34 | C33 | H331 | 171.7° | 178.7° |
| C29 | C34 | C33 | H332 | 68.4° | 58.6° |
| C29 | C34 | H341 | H342 | 120.1° | 120.0° |
| C34 | C29 | C27 | OXT | 82.7° | 179.6° |
| H29 | C29 | C30 | N31 | 61.5° | 65.3° |
| H29 | C29 | C30 | H301 | 178.5° | 174.9° |
| H29 | C29 | C30 | H302 | 58.5° | 54.4° |
| H29 | C29 | C34 | C33 | 63.7° | 58.6° |
| H29 | C29 | C34 | H341 | 56.3° | 61.3° |
| H29 | C29 | C34 | H342 | 176.3° | 178.6° |
| H29 | C29 | C27 | OXT | 31.5° | 60.3° |
| N31 | C30 | H301 | H302 | 121.7° | 120.4° |
| C30 | N31 | C32 | C35 | 171.4° | 179.9° |
| C30 | N31 | C32 | C33 | 51.7° | 53.7° |
| C30 | N31 | C32 | H321 | 68.3° | 66.2° |
| C30 | N31 | C32 | H322 | 171.7° | 173.4° |
| C30 | N31 | C35 | N37 | 0.0° | 5.3° |
| C30 | N31 | C35 | N36 | 176.2° | 174.7° |
| H301 | C30 | N31 | C32 | 71.2° | 66.1° |
| H301 | C30 | N31 | C35 | 118.0° | 113.8° |
| H302 | C30 | N31 | C32 | 168.8° | 173.4° |
| H302 | C30 | N31 | C35 | 2.1° | 6.7° |
| N31 | C32 | C33 | H321 | 120.0° | 119.9° |
| N31 | C32 | C33 | H322 | 120.0° | 119.8° |
| N31 | C32 | H321 | H322 | 113.8° | 120.3° |
| N31 | C32 | C33 | C34 | 50.2° | 54.7° |
| N31 | C32 | C33 | H331 | 170.2° | 174.6° |
| N31 | C32 | C33 | H332 | 69.8° | 65.3° |
| C32 | N31 | C35 | N37 | 170.6° | 174.6° |
| C32 | N31 | C35 | N36 | 13.2° | 5.4° |
| C35 | N31 | C32 | C33 | 119.7° | 126.4° |
| C35 | N31 | C32 | H321 | 120.4° | 113.8° |
| C35 | N31 | C32 | H322 | 0.4° | 6.7° |
| N31 | C35 | N37 | N36 | 176.2° | 180.0° |
| N31 | C35 | N37 | HN7 | 176.2° | 180.0° |
| N31 | C35 | N36 | HN61 | 176.5° | 5.5° |
| N31 | C35 | N36 | HN62 | 3.5° | 174.5° |
| C33 | C32 | H321 | H322 | 113.8° | 120.3° |
| C32 | C33 | C34 | H331 | 120.0° | 120.0° |
| C32 | C33 | C34 | H332 | 120.0° | 119.9° |
| C32 | C33 | H331 | H332 | 119.9° | 120.1° |
| C32 | C33 | C34 | H341 | 171.7° | 178.6° |
| C32 | C33 | C34 | H342 | 68.4° | 58.6° |
| H321 | C32 | C33 | C34 | 69.8° | 65.2° |
| H321 | C32 | C33 | H331 | 50.2° | 54.7° |
| H321 | C32 | C33 | H332 | 170.2° | 174.9° |
| H322 | C32 | C33 | C34 | 170.2° | 174.4° |
| H322 | C32 | C33 | H331 | 69.8° | 65.7° |
| H322 | C32 | C33 | H332 | 50.2° | 54.5° |
| C34 | C33 | H331 | H332 | 119.9° | 120.1° |
| C33 | C34 | H341 | H342 | 120.1° | 120.0° |
| H331 | C33 | C34 | H341 | 68.3° | 58.7° |
| H331 | C33 | C34 | H342 | 51.6° | 61.3° |
| H332 | C33 | C34 | H341 | 51.7° | 61.4° |
| H332 | C33 | C34 | H342 | 171.6° | 178.6° |
| N37 | C35 | N36 | HN61 | 0.0° | 174.5° |
| N37 | C35 | N36 | HN62 | 180.0° | 5.5° |
| N36 | C35 | N37 | HN7 | 0.0° | 0.0° |
| C35 | N36 | HN61 | HN62 | 180.0° | 180.0° |
