AE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | doub | 1.21Å | 1.28Å | |
| O16 | C14 | sing | 1.34Å | 1.27Å | |
| C14 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | N07 | sing | 1.47Å | 1.41Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| N10 | C09 | sing | 1.47Å | 1.41Å | |
| N07 | C08 | sing | 1.47Å | 1.44Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C11 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C11 | O13 | doub | 1.21Å | 1.24Å | |
| C11 | O12 | sing | 1.34Å | 1.27Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| N07 | H7 | sing | 1.01Å | 1.00Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 1.01Å | 1.00Å | |
| N10 | H13 | sing | 1.01Å | 1.00Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | O16 | 119.8° | 120.0° |
| O15 | C14 | C06 | 119.8° | 120.0° |
| O16 | C14 | C06 | 120.4° | 120.0° |
| C14 | O16 | H16 | 109.5° | 117.0° |
| C14 | C06 | N07 | 109.4° | 109.4° |
| C14 | C06 | C05 | 110.6° | 109.5° |
| C14 | C06 | H6 | 108.7° | 109.4° |
| N07 | C06 | C05 | 109.6° | 109.5° |
| C06 | N07 | C08 | 109.5° | 111.0° |
| N07 | C06 | H6 | 110.1° | 109.5° |
| C06 | N07 | H7 | 109.5° | 111.0° |
| C06 | C05 | C04 | 109.5° | 109.4° |
| C06 | C05 | H4 | 109.4° | 109.5° |
| C06 | C05 | H5 | 109.4° | 109.5° |
| C05 | C06 | H6 | 108.4° | 109.5° |
| N10 | C09 | C08 | 109.4° | 109.4° |
| N10 | C09 | C11 | 109.4° | 109.5° |
| N10 | C09 | H11 | 110.4° | 109.5° |
| C09 | N10 | H12 | 109.5° | 111.0° |
| C09 | N10 | H13 | 109.4° | 111.0° |
| N07 | C08 | C09 | 109.4° | 109.5° |
| C08 | N07 | H7 | 109.4° | 111.0° |
| N07 | C08 | H9 | 109.5° | 109.5° |
| N07 | C08 | H10 | 109.5° | 109.5° |
| C08 | C09 | C11 | 109.8° | 109.5° |
| C09 | C08 | H9 | 109.5° | 109.5° |
| C09 | C08 | H10 | 109.5° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.5° |
| C09 | C11 | O13 | 119.8° | 120.0° |
| C09 | C11 | O12 | 120.2° | 120.0° |
| C11 | C09 | H11 | 109.0° | 109.5° |
| C05 | C04 | C02 | 110.4° | 109.4° |
| C05 | C04 | H2 | 109.2° | 109.5° |
| C05 | C04 | H3 | 109.3° | 109.4° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.4° |
| C04 | C02 | O01 | 119.8° | 120.0° |
| C04 | C02 | O03 | 120.3° | 120.0° |
| C02 | C04 | H2 | 109.2° | 109.5° |
| C02 | C04 | H3 | 109.2° | 109.5° |
| O13 | C11 | O12 | 120.0° | 120.0° |
| C11 | O12 | H15 | 109.5° | 117.0° |
| O01 | C02 | O03 | 119.9° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| H2 | C04 | H3 | 109.4° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | N10 | H13 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | O16 | C06 | 179.8° | 179.9° |
| O15 | C14 | C06 | N07 | 45.3° | 0.1° |
| O15 | C14 | C06 | C05 | 166.1° | 120.0° |
| O15 | C14 | C06 | H6 | 75.0° | 120.1° |
| O15 | C14 | O16 | H16 | 0.0° | 0.1° |
| O16 | C14 | C06 | N07 | 134.9° | 180.0° |
| O16 | C14 | C06 | C05 | 14.0° | 59.9° |
| O16 | C14 | C06 | H6 | 104.9° | 60.0° |
| C14 | C06 | N07 | C05 | 121.5° | 120.0° |
| C14 | C06 | N07 | H6 | 119.4° | 119.9° |
| C14 | C06 | C05 | H6 | 119.1° | 119.9° |
| C14 | C06 | N07 | C08 | 157.6° | 85.0° |
| C14 | C06 | C05 | C04 | 75.3° | 175.0° |
| C14 | C06 | C05 | H4 | 164.6° | 54.9° |
| C14 | C06 | C05 | H5 | 44.7° | 65.1° |
| C14 | C06 | N07 | H7 | 37.7° | 39.0° |
| C06 | C14 | O16 | H16 | 179.8° | 180.0° |
| N07 | C06 | C05 | H6 | 120.2° | 120.1° |
| C06 | N07 | C08 | H7 | 120.0° | 124.0° |
| C06 | N07 | C08 | C09 | 161.1° | 180.0° |
| N07 | C06 | C05 | C04 | 163.9° | 65.0° |
| N07 | C06 | C05 | H4 | 43.9° | 174.9° |
| N07 | C06 | C05 | H5 | 76.0° | 54.9° |
| C06 | N07 | C08 | H9 | 78.9° | 60.0° |
| C06 | N07 | C08 | H10 | 41.1° | 60.0° |
| C05 | C06 | N07 | C08 | 80.9° | 155.0° |
| C06 | C05 | C04 | H4 | 120.0° | 120.1° |
| C06 | C05 | C04 | H5 | 120.0° | 120.0° |
| C06 | C05 | C04 | C02 | 140.1° | 180.0° |
| C06 | C05 | C04 | H2 | 99.7° | 60.0° |
| C06 | C05 | C04 | H3 | 19.9° | 60.0° |
| C06 | C05 | H4 | H5 | 119.9° | 120.0° |
| C05 | C06 | N07 | H7 | 159.1° | 81.0° |
| N10 | C09 | C08 | N07 | 104.0° | 55.0° |
| N10 | C09 | C08 | C11 | 120.1° | 120.0° |
| N10 | C09 | C08 | H11 | 120.7° | 120.0° |
| N10 | C09 | C11 | H11 | 120.9° | 120.0° |
| N10 | C09 | C11 | O13 | 17.1° | 19.9° |
| N10 | C09 | C11 | O12 | 162.8° | 160.0° |
| N10 | C09 | C08 | H9 | 136.0° | 175.0° |
| N10 | C09 | C08 | H10 | 16.0° | 65.0° |
| C09 | N10 | H12 | H13 | 120.0° | 124.0° |
| N07 | C08 | C09 | H9 | 120.0° | 120.0° |
| N07 | C08 | C09 | H10 | 120.0° | 120.0° |
| N07 | C08 | C09 | C11 | 135.9° | 175.0° |
| C08 | N07 | C06 | H6 | 38.2° | 34.9° |
| N07 | C08 | H9 | H10 | 120.1° | 120.0° |
| N07 | C08 | C09 | H11 | 16.7° | 65.0° |
| C08 | C09 | C11 | H11 | 119.0° | 120.0° |
| C08 | C09 | C11 | O13 | 103.0° | 100.0° |
| C08 | C09 | C11 | O12 | 77.2° | 80.0° |
| C09 | C08 | N07 | H7 | 41.1° | 56.0° |
| C09 | C08 | H9 | H10 | 120.0° | 120.0° |
| C08 | C09 | N10 | H12 | 180.0° | 60.0° |
| C08 | C09 | N10 | H13 | 60.0° | 64.0° |
| C09 | C11 | O13 | O12 | 179.8° | 180.0° |
| C11 | C09 | C08 | H9 | 15.9° | 65.0° |
| C11 | C09 | C08 | H10 | 104.1° | 55.0° |
| C11 | C09 | N10 | H12 | 59.7° | 60.0° |
| C11 | C09 | N10 | H13 | 60.3° | 176.0° |
| C09 | C11 | O12 | H15 | 179.8° | 180.0° |
| C05 | C04 | C02 | H2 | 120.1° | 120.0° |
| C05 | C04 | C02 | H3 | 120.2° | 120.0° |
| C05 | C04 | C02 | O01 | 168.4° | 0.0° |
| C05 | C04 | C02 | O03 | 11.5° | 179.7° |
| C05 | C04 | H2 | H3 | 119.6° | 120.0° |
| C04 | C05 | H4 | H5 | 120.0° | 120.0° |
| C04 | C05 | C06 | H6 | 43.7° | 55.1° |
| C04 | C02 | O01 | O03 | 179.9° | 179.8° |
| C04 | C02 | O03 | H1 | 179.9° | 179.7° |
| C02 | C04 | H2 | H3 | 119.6° | 120.0° |
| C02 | C04 | C05 | H4 | 20.1° | 60.0° |
| C02 | C04 | C05 | H5 | 99.9° | 60.0° |
| O13 | C11 | C09 | H11 | 137.9° | 140.0° |
| O13 | C11 | O12 | H15 | 0.0° | 0.0° |
| O12 | C11 | C09 | H11 | 41.9° | 40.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| O01 | C02 | C04 | H2 | 71.5° | 120.0° |
| O01 | C02 | C04 | H3 | 48.2° | 120.0° |
| O03 | C02 | C04 | H2 | 108.6° | 60.3° |
| O03 | C02 | C04 | H3 | 131.7° | 59.8° |
| H2 | C04 | C05 | H4 | 140.3° | 180.0° |
| H2 | C04 | C05 | H5 | 20.3° | 60.0° |
| H3 | C04 | C05 | H4 | 100.1° | 60.0° |
| H3 | C04 | C05 | H5 | 139.9° | 180.0° |
| H4 | C05 | C06 | H6 | 76.3° | 65.0° |
| H5 | C05 | C06 | H6 | 163.8° | 175.0° |
| H6 | C06 | N07 | H7 | 81.8° | 159.0° |
| H7 | N07 | C08 | H9 | 161.1° | 176.0° |
| H7 | N07 | C08 | H10 | 78.8° | 64.0° |
| H9 | C08 | C09 | H11 | 103.3° | 55.0° |
| H10 | C08 | C09 | H11 | 136.7° | 175.0° |
| H11 | C09 | N10 | H12 | 60.3° | 180.0° |
| H11 | C09 | N10 | H13 | 179.7° | 56.0° |
