A1L1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N00 | C01 | sing | 1.47Å | 1.46Å | |
| C01 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| C03 | N05 | sing | 1.35Å | 1.47Å | |
| N05 | C06 | sing | 1.47Å | 1.45Å | |
| C06 | C08 | sing | 1.54Å | 1.73Å | |
| C08 | N09 | sing | 1.47Å | 1.62Å | |
| N09 | C0A | sing | 1.46Å | 1.47Å | |
| C0A | C0C | sing | 1.51Å | 1.54Å | |
| C0C | O0D | doub | 1.21Å | 1.26Å | |
| C0C | O0E | sing | 1.34Å | 1.27Å | |
| C0A | C0F | sing | 1.51Å | 1.56Å | |
| C0F | C0G | doub | 1.38Å | 1.40Å | Aromatic |
| C0G | C0H | sing | 1.38Å | 1.41Å | Aromatic |
| C0H | C0I | doub | 1.39Å | 1.40Å | Aromatic |
| C0I | O0J | sing | 1.36Å | 1.41Å | |
| C0I | C0K | sing | 1.39Å | 1.40Å | Aromatic |
| C0F | C0M | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C0N | sing | 1.52Å | 1.29Å | |
| C0N | O0O | doub | 1.21Å | 1.19Å | |
| C01 | C0P | sing | 1.51Å | 1.53Å | |
| C0P | C0Q | doub | 1.38Å | 1.40Å | Aromatic |
| C0Q | C0R | sing | 1.38Å | 1.40Å | Aromatic |
| C0R | C0S | doub | 1.39Å | 1.39Å | Aromatic |
| C0S | O0T | sing | 1.36Å | 1.40Å | |
| C0S | C0U | sing | 1.39Å | 1.39Å | Aromatic |
| C0P | C0V | sing | 1.38Å | 1.41Å | Aromatic |
| N09 | C0N | sing | 1.36Å | 1.21Å | |
| C0K | C0M | doub | 1.38Å | 1.40Å | Aromatic |
| C0U | C0V | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H0Z | sing | 1.09Å | 1.10Å | |
| C0A | H0B | sing | 1.09Å | 1.10Å | |
| C0G | H12 | sing | 1.08Å | 1.08Å | |
| C0H | H13 | sing | 1.08Å | 1.08Å | |
| C0K | H15 | sing | 1.08Å | 1.08Å | |
| C0M | H16 | sing | 1.08Å | 1.08Å | |
| C0Q | H17 | sing | 1.08Å | 1.08Å | |
| C0R | H18 | sing | 1.08Å | 1.08Å | |
| C0U | H1A | sing | 1.08Å | 1.08Å | |
| C0V | H1B | sing | 1.08Å | 1.08Å | |
| N00 | H0W | sing | 1.01Å | 1.00Å | |
| N00 | H1 | sing | 1.01Å | 1.00Å | |
| N05 | H0Y | sing | 0.97Å | 1.00Å | |
| O0E | H2 | sing | 0.97Å | 0.95Å | |
| O0J | H14 | sing | 0.97Å | 0.95Å | |
| O0T | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N00 | C01 | C03 | 111.8° | 109.5° |
| N00 | C01 | C0P | 109.6° | 109.4° |
| N00 | C01 | H02 | 109.4° | 109.5° |
| C01 | N00 | H0W | 109.5° | 111.0° |
| C01 | N00 | H1 | 109.5° | 111.0° |
| C01 | C03 | O04 | 120.7° | 120.0° |
| C01 | C03 | N05 | 118.0° | 120.0° |
| C03 | C01 | C0P | 108.9° | 109.5° |
| C03 | C01 | H02 | 108.5° | 109.5° |
| O04 | C03 | N05 | 121.3° | 120.0° |
| C03 | N05 | C06 | 122.5° | 120.0° |
| C03 | N05 | H0Y | 118.8° | 120.0° |
| N05 | C06 | C08 | 116.4° | 113.7° |
| N05 | C06 | C0N | 112.6° | 113.7° |
| N05 | C06 | H07 | 112.4° | 113.0° |
| C06 | N05 | H0Y | 118.7° | 120.0° |
| C06 | C08 | N09 | 70.3° | 86.5° |
| C08 | C06 | C0N | 89.7° | 86.6° |
| C08 | C06 | H07 | 108.5° | 113.7° |
| C06 | C08 | H10 | 118.2° | 113.7° |
| C06 | C08 | H0Z | 118.1° | 113.7° |
| C08 | N09 | C0A | 131.0° | 132.4° |
| C08 | N09 | C0N | 98.4° | 95.2° |
| N09 | C08 | H10 | 118.2° | 113.7° |
| N09 | C08 | H0Z | 118.2° | 113.7° |
| N09 | C0A | C0C | 110.3° | 109.5° |
| N09 | C0A | C0F | 108.0° | 109.5° |
| C0A | N09 | C0N | 130.5° | 132.4° |
| N09 | C0A | H0B | 110.1° | 109.5° |
| C0A | C0C | O0D | 121.2° | 120.0° |
| C0A | C0C | O0E | 121.4° | 120.0° |
| C0C | C0A | C0F | 110.2° | 109.4° |
| C0C | C0A | H0B | 109.2° | 109.5° |
| O0D | C0C | O0E | 117.4° | 120.0° |
| C0C | O0E | H2 | 109.5° | 116.9° |
| C0A | C0F | C0G | 120.9° | 119.9° |
| C0A | C0F | C0M | 120.5° | 119.9° |
| C0F | C0A | H0B | 109.0° | 109.5° |
| C0F | C0G | C0H | 120.0° | 120.0° |
| C0G | C0F | C0M | 118.6° | 120.1° |
| C0F | C0G | H12 | 120.0° | 120.0° |
| C0G | C0H | C0I | 121.0° | 119.9° |
| C0H | C0G | H12 | 120.0° | 120.0° |
| C0G | C0H | H13 | 119.5° | 120.0° |
| C0H | C0I | O0J | 120.2° | 120.0° |
| C0H | C0I | C0K | 119.2° | 119.9° |
| C0I | C0H | H13 | 119.5° | 120.1° |
| O0J | C0I | C0K | 120.5° | 120.0° |
| C0I | O0J | H14 | 109.5° | 114.0° |
| C0I | C0K | C0M | 119.2° | 119.9° |
| C0I | C0K | H15 | 120.4° | 120.0° |
| C0F | C0M | C0K | 122.0° | 120.1° |
| C0F | C0M | H16 | 119.0° | 120.0° |
| C06 | C0N | O0O | 129.1° | 134.2° |
| C06 | C0N | N09 | 101.5° | 91.6° |
| C0N | C06 | H07 | 115.4° | 113.6° |
| O0O | C0N | N09 | 129.4° | 134.2° |
| C01 | C0P | C0Q | 119.6° | 119.9° |
| C01 | C0P | C0V | 121.4° | 120.0° |
| C0P | C01 | H02 | 108.6° | 109.5° |
| C0P | C0Q | C0R | 120.4° | 120.1° |
| C0Q | C0P | C0V | 119.0° | 120.1° |
| C0P | C0Q | H17 | 119.8° | 120.0° |
| C0Q | C0R | C0S | 119.4° | 119.9° |
| C0R | C0Q | H17 | 119.8° | 119.9° |
| C0Q | C0R | H18 | 120.3° | 120.0° |
| C0R | C0S | O0T | 118.4° | 120.0° |
| C0R | C0S | C0U | 121.3° | 119.9° |
| C0S | C0R | H18 | 120.3° | 120.1° |
| O0T | C0S | C0U | 120.3° | 120.1° |
| C0S | O0T | H19 | 109.5° | 114.0° |
| C0S | C0U | C0V | 119.2° | 120.0° |
| C0S | C0U | H1A | 120.4° | 120.0° |
| C0P | C0V | C0U | 120.6° | 120.0° |
| C0P | C0V | H1B | 119.7° | 119.9° |
| C0M | C0K | H15 | 120.4° | 120.1° |
| C0K | C0M | H16 | 119.0° | 120.0° |
| C0V | C0U | H1A | 120.4° | 120.0° |
| C0U | C0V | H1B | 119.7° | 120.0° |
| H10 | C08 | H0Z | 109.5° | 113.0° |
| H0W | N00 | H1 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N00 | C01 | C03 | C0P | 121.3° | 119.9° |
| N00 | C01 | C03 | H02 | 120.7° | 120.0° |
| N00 | C01 | C03 | O04 | 11.8° | 20.0° |
| N00 | C01 | C03 | N05 | 168.1° | 160.0° |
| N00 | C01 | C0P | H02 | 119.5° | 119.9° |
| N00 | C01 | C0P | C0Q | 108.5° | 140.0° |
| N00 | C01 | C0P | C0V | 71.5° | 40.3° |
| C01 | N00 | H0W | H1 | 120.0° | 123.9° |
| C01 | C03 | O04 | N05 | 180.0° | 180.0° |
| C01 | C03 | N05 | C06 | 179.5° | 180.0° |
| C03 | C01 | C0P | H02 | 117.9° | 120.1° |
| C03 | C01 | C0P | C0Q | 129.0° | 100.0° |
| C03 | C01 | C0P | C0V | 51.0° | 79.7° |
| C03 | C01 | N00 | H0W | 180.0° | 59.9° |
| C03 | C01 | N00 | H1 | 60.0° | 64.0° |
| C01 | C03 | N05 | H0Y | 0.5° | 0.0° |
| O04 | C03 | N05 | C06 | 0.5° | 0.0° |
| O04 | C03 | C01 | C0P | 109.4° | 100.0° |
| O04 | C03 | C01 | H02 | 132.6° | 140.0° |
| O04 | C03 | N05 | H0Y | 179.5° | 180.0° |
| C03 | N05 | C06 | H0Y | 180.0° | 179.9° |
| C03 | N05 | C06 | C08 | 99.2° | 155.0° |
| C03 | N05 | C06 | C0N | 159.1° | 108.0° |
| N05 | C03 | C01 | C0P | 70.6° | 80.0° |
| N05 | C03 | C01 | H02 | 47.4° | 40.0° |
| C03 | N05 | C06 | H07 | 26.8° | 23.4° |
| N05 | C06 | C08 | C0N | 115.3° | 114.4° |
| N05 | C06 | C08 | H07 | 127.9° | 131.2° |
| N05 | C06 | C08 | N09 | 116.4° | 114.4° |
| N05 | C06 | C0N | H07 | 130.9° | 131.1° |
| N05 | C06 | C0N | O0O | 60.2° | 65.5° |
| N05 | C06 | C0N | N09 | 120.1° | 114.5° |
| N05 | C06 | C08 | H10 | 131.4° | 131.2° |
| N05 | C06 | C08 | H0Z | 4.2° | 0.0° |
| C06 | C08 | N09 | H10 | 112.2° | 114.4° |
| C06 | C08 | N09 | H0Z | 112.1° | 114.4° |
| C06 | C08 | N09 | C0A | 179.8° | 180.0° |
| C08 | C06 | C0N | H07 | 110.5° | 114.4° |
| C08 | C06 | C0N | O0O | 178.9° | 180.0° |
| C08 | C06 | C0N | N09 | 1.4° | 0.0° |
| C06 | C08 | H10 | H0Z | 139.2° | 131.6° |
| C08 | C06 | N05 | H0Y | 80.8° | 25.0° |
| C08 | N09 | C0A | C0N | 178.1° | 179.9° |
| C08 | N09 | C0A | C0C | 83.0° | 54.7° |
| C08 | N09 | C0A | C0F | 37.5° | 65.2° |
| C08 | N09 | C0N | O0O | 178.8° | 180.0° |
| N09 | C08 | C06 | H07 | 115.6° | 114.4° |
| N09 | C08 | H10 | H0Z | 139.2° | 131.5° |
| C08 | N09 | C0A | H0B | 156.4° | 174.7° |
| N09 | C0A | C0C | C0F | 119.2° | 120.0° |
| N09 | C0A | C0C | H0B | 121.1° | 120.0° |
| N09 | C0A | C0C | O0D | 8.4° | 0.0° |
| N09 | C0A | C0C | O0E | 173.0° | 180.0° |
| N09 | C0A | C0F | H0B | 119.6° | 120.1° |
| N09 | C0A | C0F | C0G | 74.9° | 131.4° |
| N09 | C0A | C0F | C0M | 104.7° | 48.9° |
| C0A | N09 | C0N | C06 | 179.9° | 180.0° |
| C0A | N09 | C0N | O0O | 0.2° | 0.1° |
| C0A | N09 | C08 | H10 | 68.1° | 65.5° |
| C0A | N09 | C08 | H0Z | 67.6° | 65.6° |
| C0A | C0C | O0D | O0E | 178.7° | 179.9° |
| C0C | C0A | C0F | H0B | 119.8° | 120.0° |
| C0C | C0A | C0F | C0G | 164.5° | 108.7° |
| C0C | C0A | C0F | C0M | 15.9° | 71.1° |
| C0C | C0A | N09 | C0N | 98.8° | 125.2° |
| C0A | C0C | O0E | H2 | 178.7° | 180.0° |
| O0D | C0C | C0A | C0F | 110.8° | 120.0° |
| O0D | C0C | C0A | H0B | 129.5° | 120.0° |
| O0D | C0C | O0E | H2 | 0.0° | 0.1° |
| O0E | C0C | C0A | C0F | 67.8° | 60.0° |
| O0E | C0C | C0A | H0B | 51.9° | 59.9° |
| C0A | C0F | C0G | C0M | 179.6° | 179.8° |
| C0A | C0F | C0G | C0H | 179.5° | 180.0° |
| C0F | C0A | N09 | C0N | 140.6° | 114.9° |
| C0A | C0F | C0M | C0K | 179.5° | 179.7° |
| C0A | C0F | C0G | H12 | 0.5° | 0.0° |
| C0A | C0F | C0M | H16 | 0.4° | 0.0° |
| C0F | C0G | C0H | H12 | 180.0° | 180.0° |
| C0F | C0G | C0H | C0I | 0.1° | 0.1° |
| C0G | C0F | C0M | C0K | 0.0° | 0.5° |
| C0G | C0F | C0A | H0B | 44.7° | 11.3° |
| C0F | C0G | C0H | H13 | 179.9° | 180.0° |
| C0G | C0F | C0M | H16 | 180.0° | 179.8° |
| C0G | C0H | C0I | H13 | 180.0° | 179.9° |
| C0G | C0H | C0I | O0J | 179.4° | 180.0° |
| C0G | C0H | C0I | C0K | 0.3° | 0.1° |
| C0H | C0G | C0F | C0M | 0.1° | 0.2° |
| C0H | C0I | O0J | C0K | 179.7° | 179.9° |
| C0H | C0I | C0K | C0M | 0.4° | 0.2° |
| C0I | C0H | C0G | H12 | 179.9° | 180.0° |
| C0H | C0I | C0K | H15 | 179.6° | 180.0° |
| C0H | C0I | O0J | H14 | 180.0° | 89.9° |
| O0J | C0I | C0K | C0M | 179.4° | 179.8° |
| O0J | C0I | C0H | H13 | 0.6° | 0.1° |
| O0J | C0I | C0K | H15 | 0.6° | 0.1° |
| C0I | C0K | C0M | C0F | 0.2° | 0.5° |
| C0I | C0K | C0M | H15 | 180.0° | 179.8° |
| C0K | C0I | C0H | H13 | 179.7° | 180.0° |
| C0I | C0K | C0M | H16 | 179.8° | 179.8° |
| C0K | C0I | O0J | H14 | 0.3° | 90.0° |
| C0F | C0M | C0K | H16 | 180.0° | 179.7° |
| C0M | C0F | C0A | H0B | 135.7° | 168.9° |
| C0M | C0F | C0G | H12 | 179.9° | 179.7° |
| C0F | C0M | C0K | H15 | 179.8° | 179.7° |
| C06 | C0N | O0O | N09 | 179.6° | 179.9° |
| C0N | C06 | C08 | H10 | 113.3° | 114.4° |
| C0N | C06 | C08 | H0Z | 111.1° | 114.4° |
| C0N | C06 | N05 | H0Y | 20.9° | 72.1° |
| O0O | C0N | C06 | H07 | 70.7° | 65.6° |
| C01 | C0P | C0Q | C0V | 180.0° | 179.7° |
| C01 | C0P | C0Q | C0R | 179.2° | 180.0° |
| C01 | C0P | C0V | C0U | 179.5° | 179.8° |
| C01 | C0P | C0Q | H17 | 0.8° | 0.1° |
| C01 | C0P | C0V | H1B | 0.5° | 0.0° |
| C0P | C01 | N00 | H0W | 59.1° | 60.1° |
| C0P | C01 | N00 | H1 | 60.8° | 176.0° |
| C0P | C0Q | C0R | H17 | 180.0° | 180.0° |
| C0P | C0Q | C0R | C0S | 0.6° | 0.0° |
| C0Q | C0P | C0V | C0U | 0.5° | 0.6° |
| C0Q | C0P | C01 | H02 | 11.0° | 20.1° |
| C0P | C0Q | C0R | H18 | 179.4° | 180.0° |
| C0Q | C0P | C0V | H1B | 179.5° | 179.7° |
| C0Q | C0R | C0S | H18 | 180.0° | 180.0° |
| C0Q | C0R | C0S | O0T | 179.2° | 180.0° |
| C0Q | C0R | C0S | C0U | 0.2° | 0.0° |
| C0R | C0Q | C0P | C0V | 0.8° | 0.3° |
| C0R | C0S | O0T | C0U | 179.4° | 179.9° |
| C0R | C0S | C0U | C0V | 0.1° | 0.3° |
| C0S | C0R | C0Q | H17 | 179.4° | 180.0° |
| C0R | C0S | C0U | H1A | 179.9° | 179.9° |
| C0R | C0S | O0T | H19 | 180.0° | 90.0° |
| O0T | C0S | C0U | C0V | 179.4° | 179.8° |
| O0T | C0S | C0R | H18 | 0.8° | 0.1° |
| O0T | C0S | C0U | H1A | 0.6° | 0.0° |
| C0S | C0U | C0V | C0P | 0.1° | 0.6° |
| C0S | C0U | C0V | H1A | 180.0° | 179.8° |
| C0U | C0S | C0R | H18 | 179.8° | 180.0° |
| C0S | C0U | C0V | H1B | 179.9° | 179.7° |
| C0U | C0S | O0T | H19 | 0.6° | 90.1° |
| C0P | C0V | C0U | H1B | 180.0° | 179.7° |
| C0V | C0P | C01 | H02 | 169.0° | 160.3° |
| C0V | C0P | C0Q | H17 | 179.2° | 179.7° |
| C0P | C0V | C0U | H1A | 179.9° | 179.7° |
| N09 | C0N | C06 | H07 | 109.0° | 114.4° |
| C0N | N09 | C08 | H10 | 113.4° | 114.4° |
| C0N | N09 | C08 | H0Z | 110.9° | 114.4° |
| C0N | N09 | C0A | H0B | 21.7° | 5.2° |
| H02 | C01 | N00 | H0W | 59.8° | 180.0° |
| H02 | C01 | N00 | H1 | 179.8° | 56.1° |
| H07 | C06 | C08 | H10 | 3.5° | 0.0° |
| H07 | C06 | C08 | H0Z | 132.2° | 131.2° |
| H07 | C06 | N05 | H0Y | 153.2° | 156.5° |
| H12 | C0G | C0H | H13 | 0.1° | 0.1° |
| H15 | C0K | C0M | H16 | 0.2° | 0.0° |
| H17 | C0Q | C0R | H18 | 0.6° | 0.0° |
| H1A | C0U | C0V | H1B | 0.1° | 0.1° |
