N72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAF | sing | 1.43Å | 1.42Å | |
| OAC | CAG | sing | 1.43Å | 1.40Å | |
| CAF | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| OAD | CAI | sing | 1.43Å | 1.38Å | |
| CAH | CAI | sing | 1.53Å | 1.52Å | |
| CAH | OAM | sing | 1.43Å | 1.40Å | |
| CAI | CAJ | sing | 1.51Å | 1.52Å | |
| CAJ | CAK | sing | 1.51Å | 1.54Å | |
| CAJ | OAE | doub | 1.21Å | 1.22Å | |
| CAK | N | sing | 1.47Å | 1.46Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CD | OE1 | doub | 1.21Å | 1.26Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| OAM | H7 | sing | 0.97Å | 0.95Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | 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 | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| OE2 | H19 | sing | 0.97Å | 0.95Å | |
| OXT | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAF | CAG | 114.8° | 109.5° |
| CAF | OAB | H1 | 109.5° | 114.0° |
| OAB | CAF | H2 | 108.2° | 109.4° |
| OAB | CAF | H3 | 108.1° | 109.4° |
| OAC | CAG | CAF | 111.8° | 109.5° |
| OAC | CAG | CAH | 120.2° | 109.5° |
| OAC | CAG | H4 | 104.9° | 109.5° |
| CAG | OAC | H5 | 109.5° | 114.0° |
| CAF | CAG | CAH | 110.8° | 109.5° |
| CAG | CAF | H2 | 108.1° | 109.5° |
| CAG | CAF | H3 | 108.1° | 109.5° |
| CAF | CAG | H4 | 103.6° | 109.5° |
| CAG | CAH | CAI | 127.2° | 109.5° |
| CAG | CAH | OAM | 118.1° | 109.5° |
| CAH | CAG | H4 | 103.6° | 109.5° |
| CAG | CAH | H6 | 103.0° | 109.5° |
| OAD | CAI | CAH | 111.0° | 109.5° |
| OAD | CAI | CAJ | 114.4° | 109.5° |
| OAD | CAI | H8 | 107.0° | 109.5° |
| CAI | OAD | H9 | 109.5° | 114.0° |
| CAI | CAH | OAM | 98.5° | 109.4° |
| CAH | CAI | CAJ | 112.9° | 109.5° |
| CAI | CAH | H6 | 103.1° | 109.4° |
| CAH | CAI | H8 | 105.4° | 109.4° |
| OAM | CAH | H6 | 104.2° | 109.5° |
| CAH | OAM | H7 | 109.5° | 114.0° |
| CAI | CAJ | CAK | 122.6° | 120.0° |
| CAI | CAJ | OAE | 117.5° | 120.0° |
| CAJ | CAI | H8 | 105.4° | 109.5° |
| CAK | CAJ | OAE | 119.5° | 120.0° |
| CAJ | CAK | N | 107.2° | 109.5° |
| CAJ | CAK | H10 | 110.0° | 109.5° |
| CAJ | CAK | H11 | 110.1° | 109.5° |
| CAK | N | CA | 120.5° | 111.0° |
| N | CAK | H10 | 110.0° | 109.5° |
| N | CAK | H11 | 110.0° | 109.4° |
| CAK | N | H12 | 106.6° | 111.0° |
| N | CA | C | 117.8° | 109.5° |
| N | CA | CB | 108.5° | 109.5° |
| CA | N | H12 | 106.7° | 111.0° |
| N | CA | H14 | 105.4° | 109.4° |
| O | C | CA | 113.0° | 120.0° |
| O | C | OXT | 119.7° | 120.0° |
| CA | C | OXT | 127.2° | 120.0° |
| C | CA | CB | 115.2° | 109.5° |
| C | CA | H14 | 104.3° | 109.5° |
| C | OXT | H20 | 109.5° | 117.0° |
| CA | CB | CG | 117.3° | 109.4° |
| CB | CA | H14 | 104.2° | 109.5° |
| CA | CB | H15 | 107.5° | 109.4° |
| CA | CB | H16 | 107.5° | 109.5° |
| CB | CG | CD | 116.8° | 109.4° |
| CG | CB | H15 | 107.5° | 109.4° |
| CG | CB | H16 | 107.5° | 109.5° |
| CB | CG | H17 | 107.6° | 109.4° |
| CB | CG | H18 | 107.6° | 109.5° |
| CG | CD | OE1 | 122.5° | 120.0° |
| CG | CD | OE2 | 118.2° | 120.0° |
| CD | CG | H17 | 107.6° | 109.5° |
| CD | CG | H18 | 107.6° | 109.5° |
| OE1 | CD | OE2 | 119.3° | 120.0° |
| CD | OE2 | H19 | 109.5° | 117.0° |
| H2 | CAF | H3 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.4° |
| H15 | CB | H16 | 109.4° | 109.5° |
| H17 | CG | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAF | CAG | OAC | 6.9° | 65.0° |
| OAB | CAF | CAG | H2 | 120.8° | 120.0° |
| OAB | CAF | CAG | H3 | 120.8° | 120.0° |
| OAB | CAF | CAG | CAH | 144.0° | 175.0° |
| OAB | CAF | H2 | H3 | 117.6° | 120.0° |
| OAB | CAF | CAG | H4 | 105.5° | 55.0° |
| OAC | CAG | CAF | CAH | 137.0° | 120.0° |
| OAC | CAG | CAF | H4 | 112.5° | 120.0° |
| OAC | CAG | CAH | H4 | 116.6° | 120.0° |
| OAC | CAG | CAH | CAI | 16.8° | 55.0° |
| OAC | CAG | CAH | OAM | 111.2° | 65.0° |
| OAC | CAG | CAF | H2 | 127.7° | 175.0° |
| OAC | CAG | CAF | H3 | 113.9° | 54.9° |
| OAC | CAG | CAH | H6 | 134.6° | 175.0° |
| CAF | CAG | CAH | H4 | 110.5° | 120.0° |
| CAF | CAG | CAH | CAI | 149.7° | 175.0° |
| CAF | CAG | CAH | OAM | 21.7° | 55.0° |
| CAG | CAF | OAB | H1 | 180.0° | 180.0° |
| CAG | CAF | H2 | H3 | 117.5° | 120.0° |
| CAF | CAG | OAC | H5 | 180.0° | 60.0° |
| CAF | CAG | CAH | H6 | 92.4° | 65.0° |
| CAG | CAH | CAI | OAD | 26.5° | 60.0° |
| CAG | CAH | CAI | OAM | 135.4° | 120.0° |
| CAG | CAH | CAI | H6 | 117.8° | 120.0° |
| CAG | CAH | OAM | H6 | 113.5° | 120.0° |
| CAG | CAH | CAI | CAJ | 103.4° | 180.0° |
| CAH | CAG | CAF | H2 | 95.2° | 55.0° |
| CAH | CAG | CAF | H3 | 23.2° | 65.0° |
| CAH | CAG | OAC | H5 | 47.5° | 60.0° |
| CAG | CAH | OAM | H7 | 180.0° | 60.0° |
| CAG | CAH | CAI | H8 | 142.0° | 60.0° |
| OAD | CAI | CAH | CAJ | 129.9° | 120.0° |
| OAD | CAI | CAH | H8 | 115.6° | 120.0° |
| OAD | CAI | CAH | OAM | 108.9° | 180.0° |
| OAD | CAI | CAJ | H8 | 117.3° | 120.0° |
| OAD | CAI | CAJ | CAK | 31.7° | 160.0° |
| OAD | CAI | CAJ | OAE | 155.0° | 20.0° |
| OAD | CAI | CAH | H6 | 144.2° | 60.0° |
| CAI | CAH | OAM | H6 | 105.9° | 120.0° |
| CAH | CAI | CAJ | H8 | 114.6° | 120.0° |
| CAH | CAI | CAJ | CAK | 159.9° | 80.0° |
| CAH | CAI | CAJ | OAE | 26.9° | 100.0° |
| CAI | CAH | CAG | H4 | 99.8° | 65.0° |
| CAI | CAH | OAM | H7 | 39.3° | 60.1° |
| CAH | CAI | OAD | H9 | 180.0° | 60.0° |
| OAM | CAH | CAI | CAJ | 121.2° | 60.0° |
| OAM | CAH | CAG | H4 | 132.2° | 175.0° |
| OAM | CAH | CAI | H8 | 6.7° | 60.0° |
| CAI | CAJ | CAK | OAE | 173.1° | 180.0° |
| CAI | CAJ | CAK | N | 110.5° | 180.0° |
| CAJ | CAI | CAH | H6 | 14.4° | 60.0° |
| CAJ | CAI | OAD | H9 | 50.9° | 60.0° |
| CAI | CAJ | CAK | H10 | 9.1° | 59.9° |
| CAI | CAJ | CAK | H11 | 129.9° | 60.0° |
| CAJ | CAK | N | H10 | 119.6° | 120.1° |
| CAJ | CAK | N | H11 | 119.7° | 120.0° |
| CAJ | CAK | N | CA | 121.3° | 179.9° |
| CAK | CAJ | CAI | H8 | 85.5° | 40.0° |
| CAJ | CAK | H10 | H11 | 121.1° | 120.0° |
| CAJ | CAK | N | H12 | 0.3° | 56.0° |
| OAE | CAJ | CAK | N | 62.6° | 0.0° |
| OAE | CAJ | CAI | H8 | 87.7° | 140.0° |
| OAE | CAJ | CAK | H10 | 177.8° | 120.1° |
| OAE | CAJ | CAK | H11 | 57.0° | 120.0° |
| CAK | N | CA | H12 | 121.5° | 124.0° |
| CAK | N | CA | C | 18.9° | 85.0° |
| CAK | N | CA | CB | 152.0° | 155.0° |
| N | CAK | H10 | H11 | 121.0° | 119.9° |
| CAK | N | CA | H14 | 96.9° | 35.0° |
| N | CA | C | O | 96.3° | 0.0° |
| N | CA | C | CB | 130.1° | 120.0° |
| N | CA | C | H14 | 116.4° | 119.9° |
| N | CA | C | OXT | 85.4° | 180.0° |
| N | CA | CB | H14 | 111.9° | 120.0° |
| N | CA | CB | CG | 169.1° | 65.0° |
| CA | N | CAK | H10 | 119.1° | 60.0° |
| CA | N | CAK | H11 | 1.6° | 59.9° |
| N | CA | CB | H15 | 48.0° | 175.1° |
| N | CA | CB | H16 | 69.8° | 55.0° |
| O | C | CA | OXT | 178.3° | 180.0° |
| O | C | CA | CB | 133.6° | 120.0° |
| O | C | CA | H14 | 20.0° | 120.0° |
| O | C | OXT | H20 | 0.0° | 0.0° |
| C | CA | CB | H14 | 113.6° | 120.0° |
| C | CA | CB | CG | 34.6° | 175.0° |
| C | CA | N | H12 | 102.7° | 39.0° |
| C | CA | CB | H15 | 86.5° | 55.0° |
| C | CA | CB | H16 | 155.8° | 65.0° |
| CA | C | OXT | H20 | 178.2° | 180.0° |
| OXT | C | CA | CB | 44.7° | 60.0° |
| OXT | C | CA | H14 | 158.3° | 60.1° |
| CA | CB | CG | H15 | 121.1° | 119.9° |
| CA | CB | CG | H16 | 121.1° | 120.0° |
| CA | CB | CG | CD | 147.3° | 180.0° |
| CB | CA | N | H12 | 30.4° | 81.0° |
| CA | CB | H15 | H16 | 116.5° | 120.0° |
| CA | CB | CG | H17 | 26.2° | 60.1° |
| CA | CB | CG | H18 | 91.7° | 60.0° |
| CB | CG | CD | H17 | 121.0° | 119.9° |
| CB | CG | CD | H18 | 121.1° | 120.0° |
| CB | CG | CD | OE1 | 44.5° | 0.0° |
| CB | CG | CD | OE2 | 136.7° | 180.0° |
| CG | CB | CA | H14 | 79.0° | 55.0° |
| CG | CB | H15 | H16 | 116.4° | 120.0° |
| CB | CG | H17 | H18 | 116.7° | 120.0° |
| CG | CD | OE1 | OE2 | 178.8° | 180.0° |
| CD | CG | CB | H15 | 91.6° | 60.1° |
| CD | CG | CB | H16 | 26.1° | 60.0° |
| CD | CG | H17 | H18 | 116.7° | 120.0° |
| CG | CD | OE2 | H19 | 178.9° | 179.9° |
| OE1 | CD | CG | H17 | 76.5° | 120.0° |
| OE1 | CD | CG | H18 | 165.6° | 120.0° |
| OE1 | CD | OE2 | H19 | 0.0° | 0.1° |
| OE2 | CD | CG | H17 | 102.3° | 60.0° |
| OE2 | CD | CG | H18 | 15.6° | 60.1° |
| H1 | OAB | CAF | H2 | 59.3° | 60.0° |
| H1 | OAB | CAF | H3 | 59.2° | 60.0° |
| H2 | CAF | CAG | H4 | 15.2° | 65.0° |
| H3 | CAF | CAG | H4 | 133.7° | 174.9° |
| H4 | CAG | OAC | H5 | 68.4° | 180.0° |
| H4 | CAG | CAH | H6 | 18.0° | 55.0° |
| H6 | CAH | OAM | H7 | 66.6° | 180.0° |
| H6 | CAH | CAI | H8 | 100.2° | NaN° |
| H8 | CAI | OAD | H9 | 65.4° | 180.0° |
| H10 | CAK | N | H12 | 119.3° | 176.1° |
| H11 | CAK | N | H12 | 120.0° | 64.0° |
| H12 | N | CA | H14 | 141.6° | 158.9° |
| H14 | CA | CB | H15 | 159.9° | 65.0° |
| H14 | CA | CB | H16 | 42.2° | 175.0° |
| H15 | CB | CG | H17 | 147.4° | 180.0° |
| H15 | CB | CG | H18 | 29.5° | 59.9° |
| H16 | CB | CG | H17 | 94.9° | 59.9° |
| H16 | CB | CG | H18 | 147.2° | NaN° |
