A1MAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE1 | CD1 | sing | 1.37Å | 1.32Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.33Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.32Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.33Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.36Å | Aromatic |
| CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.37Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.56Å | |
| CD2 | CE3 | sing | 1.40Å | 1.36Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.37Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CAY | CAW | sing | 1.51Å | 1.54Å | |
| C | CA | sing | 1.51Å | 1.36Å | |
| C | CAS | sing | 1.47Å | 1.34Å | |
| CAW | CAS | doub | 1.38Å | 1.32Å | |
| CAW | OAX | sing | 1.34Å | 1.35Å | |
| CE3 | CZ3 | doub | 1.37Å | 1.39Å | Aromatic |
| CE3 | CAJ | sing | 1.51Å | 1.39Å | |
| CA | N | sing | 1.46Å | 1.52Å | |
| CAS | CAR | sing | 1.47Å | 1.34Å | |
| N | CAR | sing | 1.34Å | 1.33Å | |
| CAR | OAV | doub | 1.22Å | 1.24Å | |
| CAJ | CAK | sing | 1.51Å | 1.51Å | |
| CAK | CAL | doub | 1.31Å | 1.50Å | |
| CAL | CAM | sing | 1.51Å | 1.52Å | |
| CAL | CAN | sing | 1.51Å | 1.54Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CZ3 | H10 | sing | 1.08Å | 1.08Å | |
| CH2 | H11 | sing | 1.08Å | 1.08Å | |
| CZ2 | H12 | sing | 1.08Å | 1.08Å | |
| NE1 | H13 | sing | 0.97Å | 1.00Å | |
| CD1 | H14 | sing | 1.08Å | 1.08Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CA | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| CAY | H19 | sing | 1.09Å | 1.10Å | |
| CAY | H20 | sing | 1.09Å | 1.10Å | |
| CAY | H21 | sing | 1.09Å | 1.10Å | |
| OAX | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | NE1 | CE2 | 107.8° | 109.9° |
| NE1 | CD1 | CG | 109.2° | 109.9° |
| CD1 | NE1 | H13 | 126.1° | 125.0° |
| NE1 | CD1 | H14 | 125.4° | 125.1° |
| NE1 | CE2 | CZ2 | 127.2° | 133.5° |
| NE1 | CE2 | CD2 | 109.7° | 107.2° |
| CE2 | NE1 | H13 | 126.1° | 125.1° |
| CD1 | CG | CD2 | 109.0° | 107.0° |
| CD1 | CG | CB | 117.6° | 126.5° |
| CG | CD1 | H14 | 125.4° | 125.0° |
| CZ2 | CE2 | CD2 | 123.1° | 119.3° |
| CE2 | CZ2 | CH2 | 120.1° | 119.8° |
| CE2 | CZ2 | H12 | 119.9° | 120.1° |
| CE2 | CD2 | CG | 104.4° | 106.0° |
| CE2 | CD2 | CE3 | 118.0° | 120.0° |
| CZ2 | CH2 | CZ3 | 118.5° | 120.7° |
| CZ2 | CH2 | H11 | 120.7° | 119.7° |
| CH2 | CZ2 | H12 | 120.0° | 120.1° |
| CD2 | CG | CB | 133.3° | 126.5° |
| CG | CD2 | CE3 | 137.6° | 134.0° |
| CG | CB | CA | 120.7° | 109.5° |
| CG | CB | H15 | 106.6° | 109.5° |
| CG | CB | H16 | 106.6° | 109.5° |
| CD2 | CE3 | CZ3 | 120.1° | 119.8° |
| CD2 | CE3 | CAJ | 124.8° | 120.1° |
| CH2 | CZ3 | CE3 | 120.2° | 120.5° |
| CH2 | CZ3 | H10 | 119.9° | 119.7° |
| CZ3 | CH2 | H11 | 120.8° | 119.6° |
| CB | CA | C | 117.2° | 110.1° |
| CB | CA | N | 113.6° | 110.0° |
| CA | CB | H15 | 106.6° | 109.5° |
| CA | CB | H16 | 106.6° | 109.4° |
| CB | CA | H17 | 106.9° | 110.0° |
| O | C | CA | 123.8° | 127.4° |
| O | C | CAS | 124.2° | 127.5° |
| CAY | CAW | CAS | 121.8° | 120.0° |
| CAY | CAW | OAX | 120.8° | 120.0° |
| CAW | CAY | H19 | 109.5° | 109.5° |
| CAW | CAY | H20 | 109.5° | 109.5° |
| CAW | CAY | H21 | 109.5° | 109.5° |
| CA | C | CAS | 109.0° | 105.1° |
| C | CA | N | 103.0° | 106.6° |
| C | CA | H17 | 108.9° | 110.1° |
| C | CAS | CAW | 124.4° | 126.3° |
| C | CAS | CAR | 110.9° | 107.4° |
| CAS | CAW | OAX | 117.5° | 120.0° |
| CAW | CAS | CAR | 124.3° | 126.3° |
| CAW | OAX | H22 | 109.5° | 117.0° |
| CZ3 | CE3 | CAJ | 115.1° | 120.1° |
| CE3 | CZ3 | H10 | 119.9° | 119.8° |
| CE3 | CAJ | CAK | 99.3° | 109.5° |
| CE3 | CAJ | H8 | 111.9° | 109.5° |
| CE3 | CAJ | H9 | 111.9° | 109.5° |
| CA | N | CAR | 105.8° | 110.2° |
| N | CA | H17 | 106.8° | 110.0° |
| CA | N | H18 | 127.1° | 125.0° |
| CAS | CAR | N | 109.1° | 110.7° |
| CAS | CAR | OAV | 125.1° | 124.6° |
| N | CAR | OAV | 125.7° | 124.6° |
| CAR | N | H18 | 127.1° | 124.9° |
| CAJ | CAK | CAL | 122.0° | 120.0° |
| CAJ | CAK | H7 | 119.0° | 120.0° |
| CAK | CAJ | H8 | 111.9° | 109.5° |
| CAK | CAJ | H9 | 111.9° | 109.4° |
| CAK | CAL | CAM | 119.5° | 120.0° |
| CAK | CAL | CAN | 119.1° | 120.0° |
| CAL | CAK | H7 | 119.0° | 120.1° |
| CAM | CAL | CAN | 121.2° | 120.0° |
| CAL | CAM | H1 | 109.5° | 109.5° |
| CAL | CAM | H2 | 109.5° | 109.5° |
| CAL | CAM | H3 | 109.5° | 109.4° |
| CAL | CAN | H4 | 109.5° | 109.4° |
| CAL | CAN | H5 | 109.5° | 109.4° |
| CAL | CAN | H6 | 109.5° | 109.5° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H1 | CAM | H3 | 109.5° | 109.5° |
| H2 | CAM | H3 | 109.4° | 109.4° |
| H4 | CAN | H5 | 109.4° | 109.4° |
| H4 | CAN | H6 | 109.4° | 109.5° |
| H5 | CAN | H6 | 109.5° | 109.5° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.4° |
| H19 | CAY | H20 | 109.4° | 109.5° |
| H19 | CAY | H21 | 109.5° | 109.5° |
| H20 | CAY | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | NE1 | CE2 | H13 | 180.0° | 178.8° |
| NE1 | CD1 | CG | H14 | 180.0° | 179.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.4° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.1° | 0.7° |
| NE1 | CD1 | CG | CD2 | 1.2° | 1.0° |
| NE1 | CD1 | CG | CB | 177.4° | 180.0° |
| CE2 | NE1 | CD1 | CG | 0.6° | 1.1° |
| NE1 | CE2 | CZ2 | CD2 | 179.2° | 179.2° |
| NE1 | CE2 | CZ2 | CH2 | 179.8° | 180.0° |
| NE1 | CE2 | CD2 | CG | 0.8° | 0.1° |
| NE1 | CE2 | CD2 | CE3 | 179.8° | 179.9° |
| NE1 | CE2 | CZ2 | H12 | 0.1° | 0.6° |
| CE2 | NE1 | CD1 | H14 | 179.4° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.2° | 0.6° |
| CD1 | CG | CD2 | CB | 175.4° | 179.0° |
| CD1 | CG | CD2 | CE3 | 179.9° | 179.4° |
| CD1 | CG | CB | CA | 93.2° | 4.3° |
| CG | CD1 | NE1 | H13 | 179.4° | 179.9° |
| CD1 | CG | CB | H15 | 28.4° | 115.8° |
| CD1 | CG | CB | H16 | 145.3° | 124.2° |
| CE2 | CZ2 | CH2 | H12 | 180.0° | 179.4° |
| CZ2 | CE2 | CD2 | CG | 179.9° | 179.5° |
| CZ2 | CE2 | CD2 | CE3 | 0.8° | 0.5° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.5° |
| CE2 | CZ2 | CH2 | H11 | 179.7° | 179.5° |
| CZ2 | CE2 | NE1 | H13 | 0.5° | 1.2° |
| CD2 | CE2 | CZ2 | CH2 | 0.9° | 0.8° |
| CE2 | CD2 | CG | CE3 | 178.7° | 180.0° |
| CE2 | CD2 | CG | CB | 176.6° | 179.6° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CE2 | CD2 | CE3 | CAJ | 178.0° | 179.7° |
| CD2 | CE2 | CZ2 | H12 | 179.1° | 179.8° |
| CD2 | CE2 | NE1 | H13 | 179.9° | 179.5° |
| CZ2 | CH2 | CZ3 | H11 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 0.4° | 0.0° |
| CZ2 | CH2 | CZ3 | H10 | 179.6° | 180.0° |
| CD2 | CG | CB | CA | 91.7° | 174.6° |
| CG | CD2 | CE3 | CZ3 | 178.7° | 180.0° |
| CG | CD2 | CE3 | CAJ | 0.7° | 0.3° |
| CD2 | CG | CD1 | H14 | 178.8° | 180.0° |
| CD2 | CG | CB | H15 | 146.7° | 65.4° |
| CD2 | CG | CB | H16 | 29.8° | 54.6° |
| CB | CG | CD2 | CE3 | 4.7° | 0.4° |
| CG | CB | CA | H15 | 121.6° | 120.1° |
| CG | CB | CA | H16 | 121.5° | 120.0° |
| CG | CB | CA | C | 58.7° | 177.4° |
| CG | CB | CA | N | 178.8° | 65.4° |
| CB | CG | CD1 | H14 | 2.6° | 1.0° |
| CG | CB | H15 | H16 | 115.0° | 120.0° |
| CG | CB | CA | H17 | 63.7° | 55.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.5° | 0.3° |
| CD2 | CE3 | CZ3 | CAJ | 178.2° | 179.7° |
| CD2 | CE3 | CAJ | CAK | 72.6° | 86.5° |
| CD2 | CE3 | CAJ | H8 | 45.7° | 33.4° |
| CD2 | CE3 | CAJ | H9 | 169.1° | 153.5° |
| CD2 | CE3 | CZ3 | H10 | 179.5° | 179.7° |
| CH2 | CZ3 | CE3 | H10 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | CAJ | 178.7° | 180.0° |
| CZ3 | CH2 | CZ2 | H12 | 179.7° | 179.9° |
| CB | CA | C | O | 58.8° | 60.7° |
| CB | CA | C | N | 125.5° | 119.3° |
| CB | CA | C | H17 | 121.4° | 121.4° |
| CB | CA | C | CAS | 140.1° | 119.3° |
| CB | CA | N | H17 | 117.5° | 121.3° |
| CB | CA | N | CAR | 139.6° | 119.3° |
| CA | CB | H15 | H16 | 114.9° | 119.9° |
| CB | CA | N | H18 | 40.4° | 60.7° |
| O | C | CA | CAS | 161.1° | 179.9° |
| O | C | CAS | CAW | 13.0° | 0.0° |
| O | C | CA | N | 175.7° | 180.0° |
| O | C | CAS | CAR | 173.9° | 179.9° |
| O | C | CA | H17 | 62.5° | 60.7° |
| CAY | CAW | CAS | C | 5.1° | 0.0° |
| CAY | CAW | CAS | OAX | 179.1° | 180.0° |
| CAY | CAW | CAS | CAR | 177.2° | 179.9° |
| CAW | CAY | H19 | H20 | 120.0° | 120.0° |
| CAW | CAY | H19 | H21 | 120.0° | 120.0° |
| CAW | CAY | H20 | H21 | 120.0° | 120.0° |
| CAY | CAW | OAX | H22 | 179.1° | 0.1° |
| CA | C | CAS | CAW | 174.0° | 180.0° |
| C | CA | N | H17 | 114.7° | 119.4° |
| CA | C | CAS | CAR | 12.9° | 0.0° |
| C | CA | N | CAR | 11.8° | 0.0° |
| C | CA | CB | H15 | 62.9° | 57.3° |
| C | CA | CB | H16 | 179.7° | 62.6° |
| C | CA | N | H18 | 168.2° | 180.0° |
| C | CAS | CAW | CAR | 172.1° | 180.0° |
| C | CAS | CAW | OAX | 174.0° | 180.0° |
| CAS | C | CA | N | 14.6° | 0.0° |
| C | CAS | CAR | N | 4.6° | 0.0° |
| C | CAS | CAR | OAV | 177.4° | 180.0° |
| CAS | C | CA | H17 | 98.6° | 119.3° |
| CAW | CAS | CAR | N | 177.6° | 180.0° |
| CAW | CAS | CAR | OAV | 4.3° | 0.0° |
| CAS | CAW | CAY | H19 | 180.0° | 90.0° |
| CAS | CAW | CAY | H20 | 60.0° | 150.0° |
| CAS | CAW | CAY | H21 | 60.0° | 30.0° |
| CAS | CAW | OAX | H22 | 0.0° | 180.0° |
| OAX | CAW | CAS | CAR | 1.8° | 0.0° |
| OAX | CAW | CAY | H19 | 1.0° | 90.0° |
| OAX | CAW | CAY | H20 | 120.9° | 30.0° |
| OAX | CAW | CAY | H21 | 119.1° | 150.0° |
| CZ3 | CE3 | CAJ | CAK | 105.5° | 93.8° |
| CZ3 | CE3 | CAJ | H8 | 136.2° | 146.2° |
| CZ3 | CE3 | CAJ | H9 | 12.8° | 26.2° |
| CE3 | CZ3 | CH2 | H11 | 179.6° | 180.0° |
| CE3 | CAJ | CAK | H8 | 118.3° | 120.0° |
| CE3 | CAJ | CAK | H9 | 118.3° | 120.0° |
| CE3 | CAJ | CAK | CAL | 148.5° | 125.9° |
| CE3 | CAJ | CAK | H7 | 31.5° | 54.1° |
| CE3 | CAJ | H8 | H9 | 124.7° | 120.0° |
| CAJ | CE3 | CZ3 | H10 | 1.3° | 0.0° |
| CA | N | CAR | CAS | 4.6° | 0.0° |
| CA | N | CAR | H18 | 180.0° | 180.0° |
| CA | N | CAR | OAV | 173.4° | 180.0° |
| N | CA | CB | H15 | 57.2° | 174.5° |
| N | CA | CB | H16 | 59.7° | 54.5° |
| CAS | CAR | N | OAV | 178.1° | 180.0° |
| CAS | CAR | N | H18 | 175.4° | 180.0° |
| CAR | N | CA | H17 | 102.9° | 119.3° |
| OAV | CAR | N | H18 | 6.5° | 0.0° |
| CAJ | CAK | CAL | H7 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 1.2° | 174.3° |
| CAJ | CAK | CAL | CAN | 176.4° | 5.7° |
| CAK | CAJ | H8 | H9 | 124.7° | 120.0° |
| CAK | CAL | CAM | CAN | 175.0° | 179.9° |
| CAK | CAL | CAM | H1 | 180.0° | 90.0° |
| CAK | CAL | CAM | H2 | 60.0° | 30.1° |
| CAK | CAL | CAM | H3 | 60.0° | 150.0° |
| CAK | CAL | CAN | H4 | 180.0° | 174.9° |
| CAK | CAL | CAN | H5 | 60.0° | 65.2° |
| CAK | CAL | CAN | H6 | 60.0° | 54.8° |
| CAL | CAK | CAJ | H8 | 30.2° | 114.1° |
| CAL | CAK | CAJ | H9 | 93.2° | 5.9° |
| CAL | CAM | H1 | H2 | 120.0° | 120.0° |
| CAL | CAM | H1 | H3 | 120.1° | 120.0° |
| CAL | CAM | H2 | H3 | 120.0° | 119.9° |
| CAM | CAL | CAN | H4 | 4.9° | 5.0° |
| CAM | CAL | CAN | H5 | 124.9° | 114.9° |
| CAM | CAL | CAN | H6 | 115.0° | 125.1° |
| CAM | CAL | CAK | H7 | 178.7° | 5.7° |
| CAN | CAL | CAM | H1 | 5.0° | 90.0° |
| CAN | CAL | CAM | H2 | 115.0° | 150.0° |
| CAN | CAL | CAM | H3 | 125.0° | 30.0° |
| CAL | CAN | H4 | H5 | 120.0° | 119.9° |
| CAL | CAN | H4 | H6 | 120.0° | 120.1° |
| CAL | CAN | H5 | H6 | 120.0° | 120.0° |
| CAN | CAL | CAK | H7 | 3.6° | 174.3° |
| H1 | CAM | H2 | H3 | 119.9° | 120.0° |
| H4 | CAN | H5 | H6 | 120.0° | 120.1° |
| H7 | CAK | CAJ | H8 | 149.8° | 65.9° |
| H7 | CAK | CAJ | H9 | 86.8° | 174.1° |
| H10 | CZ3 | CH2 | H11 | 0.4° | 0.0° |
| H11 | CH2 | CZ2 | H12 | 0.3° | 0.1° |
| H13 | NE1 | CD1 | H14 | 0.6° | 1.1° |
| H15 | CB | CA | H17 | 174.7° | 64.2° |
| H16 | CB | CA | H17 | 57.8° | 175.9° |
| H17 | CA | N | H18 | 77.1° | 60.6° |
| H19 | CAY | H20 | H21 | 120.0° | 120.0° |
