A1ENP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C09 | sing | 1.53Å | 1.55Å | |
| C01 | C06 | sing | 1.53Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.48Å | |
| C04 | C10 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.48Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.46Å | |
| C10 | C08 | sing | 1.53Å | 1.57Å | |
| C08 | C07 | sing | 1.53Å | 1.59Å | |
| C08 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | O14 | doub | 1.21Å | 1.27Å | |
| C12 | O13 | sing | 1.34Å | 1.27Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| O13 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 112.5° | 109.4° |
| C03 | C02 | C01 | 112.9° | 109.5° |
| C03 | C02 | C09 | 104.7° | 109.5° |
| C03 | C02 | H5 | 110.9° | 109.5° |
| C02 | C03 | H6 | 108.7° | 109.4° |
| C02 | C03 | H7 | 108.7° | 109.4° |
| C03 | C04 | C05 | 112.9° | 109.5° |
| C03 | C04 | C10 | 95.3° | 109.5° |
| C04 | C03 | H6 | 108.7° | 109.5° |
| C04 | C03 | H7 | 108.7° | 109.5° |
| C03 | C04 | H8 | 110.5° | 109.4° |
| C01 | C02 | C09 | 106.4° | 109.5° |
| C02 | C01 | C06 | 112.6° | 109.4° |
| C02 | C01 | H3 | 108.7° | 109.5° |
| C02 | C01 | H4 | 108.7° | 109.5° |
| C01 | C02 | H5 | 110.9° | 109.5° |
| C02 | C09 | C08 | 108.5° | 109.5° |
| C09 | C02 | H5 | 110.8° | 109.4° |
| C02 | C09 | H14 | 109.7° | 109.5° |
| C02 | C09 | H15 | 109.7° | 109.5° |
| C01 | C06 | C05 | 112.8° | 109.5° |
| C01 | C06 | C07 | 95.9° | 109.5° |
| C06 | C01 | H3 | 108.7° | 109.5° |
| C06 | C01 | H4 | 108.7° | 109.5° |
| C01 | C06 | H11 | 110.5° | 109.5° |
| C05 | C04 | C10 | 114.6° | 109.5° |
| C04 | C05 | C06 | 112.6° | 109.4° |
| C05 | C04 | H8 | 111.7° | 109.4° |
| C04 | C05 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 108.7° | 109.5° |
| C04 | C10 | C08 | 112.9° | 109.4° |
| C04 | C10 | H1 | 108.6° | 109.4° |
| C04 | C10 | H2 | 108.6° | 109.4° |
| C10 | C04 | H8 | 110.8° | 109.5° |
| C05 | C06 | C07 | 114.4° | 109.5° |
| C06 | C05 | H9 | 108.7° | 109.4° |
| C06 | C05 | H10 | 108.7° | 109.4° |
| C05 | C06 | H11 | 111.7° | 109.5° |
| C06 | C07 | C08 | 112.3° | 109.5° |
| C07 | C06 | H11 | 110.6° | 109.4° |
| C06 | C07 | H12 | 108.7° | 109.5° |
| C06 | C07 | H13 | 108.8° | 109.5° |
| C09 | C08 | C10 | 109.0° | 109.5° |
| C09 | C08 | C07 | 108.4° | 109.4° |
| C09 | C08 | C11 | 109.8° | 109.5° |
| C08 | C09 | H14 | 109.7° | 109.5° |
| C08 | C09 | H15 | 109.7° | 109.4° |
| C10 | C08 | C07 | 108.4° | 109.5° |
| C10 | C08 | C11 | 110.1° | 109.5° |
| C08 | C10 | H1 | 108.6° | 109.5° |
| C08 | C10 | H2 | 108.6° | 109.5° |
| C07 | C08 | C11 | 111.1° | 109.5° |
| C08 | C07 | H12 | 108.7° | 109.4° |
| C08 | C07 | H13 | 108.8° | 109.5° |
| C08 | C11 | C12 | 113.7° | 109.5° |
| C08 | C11 | H16 | 108.4° | 109.5° |
| C08 | C11 | H17 | 108.4° | 109.5° |
| C11 | C12 | O14 | 120.3° | 120.0° |
| C11 | C12 | O13 | 119.9° | 120.1° |
| C12 | C11 | H16 | 108.4° | 109.5° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| O14 | C12 | O13 | 119.8° | 120.0° |
| C12 | O13 | H18 | 109.5° | 117.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H6 | 120.5° | 120.0° |
| C02 | C03 | C04 | H7 | 120.4° | 120.0° |
| C03 | C02 | C01 | C09 | 114.3° | 120.0° |
| C03 | C02 | C01 | H5 | 125.1° | 120.0° |
| C03 | C02 | C09 | H5 | 119.6° | 120.0° |
| C03 | C02 | C01 | C06 | 45.5° | 60.0° |
| C02 | C03 | C04 | C05 | 50.0° | 60.0° |
| C02 | C03 | C04 | C10 | 69.5° | 60.0° |
| C03 | C02 | C09 | C08 | 60.2° | 60.0° |
| C03 | C02 | C01 | H3 | 74.9° | 60.0° |
| C03 | C02 | C01 | H4 | 166.0° | 180.0° |
| C02 | C03 | H6 | H7 | 118.6° | 120.0° |
| C02 | C03 | C04 | H8 | 175.9° | 180.0° |
| C03 | C02 | C09 | H14 | 179.9° | 180.0° |
| C03 | C02 | C09 | H15 | 59.6° | 60.0° |
| C04 | C03 | C02 | C01 | 44.9° | 60.0° |
| C04 | C03 | C02 | C09 | 70.4° | 60.0° |
| C03 | C04 | C05 | C10 | 107.7° | 120.1° |
| C03 | C04 | C05 | H8 | 125.3° | 119.9° |
| C03 | C04 | C10 | H8 | 114.3° | 120.0° |
| C03 | C04 | C05 | C06 | 56.1° | 60.0° |
| C03 | C04 | C10 | C08 | 65.4° | 60.0° |
| C03 | C04 | C10 | H1 | 55.1° | 59.9° |
| C03 | C04 | C10 | H2 | 174.1° | 180.0° |
| C04 | C03 | C02 | H5 | 170.0° | 180.0° |
| C04 | C03 | H6 | H7 | 118.6° | 120.1° |
| C03 | C04 | C05 | H9 | 176.5° | 180.0° |
| C03 | C04 | C05 | H10 | 64.4° | 59.9° |
| C01 | C02 | C09 | H5 | 120.6° | 119.9° |
| C02 | C01 | C06 | H3 | 120.5° | 120.0° |
| C02 | C01 | C06 | H4 | 120.5° | 120.0° |
| C02 | C01 | C06 | C05 | 51.3° | 60.0° |
| C02 | C01 | C06 | C07 | 68.4° | 60.0° |
| C01 | C02 | C09 | C08 | 59.5° | 60.1° |
| C02 | C01 | H3 | H4 | 118.6° | 120.0° |
| C01 | C02 | C03 | H6 | 165.3° | 180.0° |
| C01 | C02 | C03 | H7 | 75.5° | 60.0° |
| C02 | C01 | C06 | H11 | 177.0° | 180.0° |
| C01 | C02 | C09 | H14 | 60.3° | 60.0° |
| C01 | C02 | C09 | H15 | 179.4° | 180.0° |
| C09 | C02 | C01 | C06 | 68.8° | 60.0° |
| C02 | C09 | C08 | H14 | 119.8° | 120.0° |
| C02 | C09 | C08 | H15 | 119.8° | 120.0° |
| C02 | C09 | C08 | C10 | 59.0° | 60.0° |
| C02 | C09 | C08 | C07 | 58.8° | 60.0° |
| C02 | C09 | C08 | C11 | 179.7° | 180.0° |
| C09 | C02 | C01 | H3 | 170.8° | 180.0° |
| C09 | C02 | C01 | H4 | 51.7° | 60.0° |
| C09 | C02 | C03 | H6 | 50.1° | 60.0° |
| C09 | C02 | C03 | H7 | 169.2° | 180.0° |
| C02 | C09 | H14 | H15 | 120.4° | 120.0° |
| C01 | C06 | C05 | C04 | 56.6° | 60.0° |
| C01 | C06 | C05 | C07 | 108.3° | 120.0° |
| C01 | C06 | C05 | H11 | 125.1° | 120.0° |
| C01 | C06 | C07 | H11 | 114.5° | 119.9° |
| C01 | C06 | C07 | C08 | 65.9° | 60.1° |
| C06 | C01 | H3 | H4 | 118.6° | 120.0° |
| C06 | C01 | C02 | H5 | 170.7° | 180.0° |
| C01 | C06 | C05 | H9 | 177.1° | 180.0° |
| C01 | C06 | C05 | H10 | 63.8° | 60.0° |
| C01 | C06 | C07 | H12 | 173.7° | 180.0° |
| C01 | C06 | C07 | H13 | 54.6° | 60.0° |
| C05 | C04 | C10 | H8 | 127.5° | 120.0° |
| C04 | C05 | C06 | H9 | 120.5° | 120.0° |
| C04 | C05 | C06 | H10 | 120.5° | 120.0° |
| C04 | C05 | C06 | C07 | 51.6° | 60.0° |
| C05 | C04 | C10 | C08 | 52.8° | 60.0° |
| C05 | C04 | C10 | H1 | 173.4° | 180.0° |
| C05 | C04 | C10 | H2 | 67.7° | 59.9° |
| C05 | C04 | C03 | H6 | 170.5° | 180.0° |
| C05 | C04 | C03 | H7 | 70.4° | 59.9° |
| C04 | C05 | H9 | H10 | 118.6° | 120.1° |
| C04 | C05 | C06 | H11 | 178.3° | 180.0° |
| C10 | C04 | C05 | C06 | 51.7° | 60.0° |
| C04 | C10 | C08 | C09 | 67.2° | 60.0° |
| C04 | C10 | C08 | H1 | 120.5° | 119.9° |
| C04 | C10 | C08 | H2 | 120.5° | 119.9° |
| C04 | C10 | C08 | C07 | 50.6° | 60.0° |
| C04 | C10 | C08 | C11 | 172.3° | 180.0° |
| C04 | C10 | H1 | H2 | 118.4° | 120.0° |
| C10 | C04 | C03 | H6 | 50.9° | 59.9° |
| C10 | C04 | C03 | H7 | 170.0° | 180.0° |
| C10 | C04 | C05 | H9 | 68.8° | 59.9° |
| C10 | C04 | C05 | H10 | 172.2° | 180.0° |
| C05 | C06 | C07 | H11 | 127.2° | 120.0° |
| C05 | C06 | C07 | C08 | 52.4° | 60.0° |
| C05 | C06 | C01 | H3 | 69.2° | 60.0° |
| C05 | C06 | C01 | H4 | 171.8° | 180.0° |
| C06 | C05 | C04 | H8 | 178.7° | 180.0° |
| C06 | C05 | H9 | H10 | 118.6° | 120.0° |
| C05 | C06 | C07 | H12 | 68.0° | 60.0° |
| C05 | C06 | C07 | H13 | 172.9° | 180.0° |
| C06 | C07 | C08 | C09 | 67.8° | 60.0° |
| C06 | C07 | C08 | C10 | 50.3° | 60.0° |
| C06 | C07 | C08 | H12 | 120.4° | 120.0° |
| C06 | C07 | C08 | H13 | 120.5° | 120.0° |
| C06 | C07 | C08 | C11 | 171.4° | 180.0° |
| C07 | C06 | C01 | H3 | 171.2° | 180.0° |
| C07 | C06 | C01 | H4 | 52.1° | 60.0° |
| C07 | C06 | C05 | H9 | 68.8° | 60.0° |
| C07 | C06 | C05 | H10 | 172.1° | 180.0° |
| C06 | C07 | H12 | H13 | 118.7° | 120.0° |
| C09 | C08 | C10 | C07 | 117.8° | 120.0° |
| C09 | C08 | C10 | C11 | 120.5° | 120.0° |
| C09 | C08 | C07 | C11 | 120.8° | 120.0° |
| C09 | C08 | C11 | C12 | 161.5° | 60.0° |
| C09 | C08 | C10 | H1 | 53.3° | 59.9° |
| C09 | C08 | C10 | H2 | 172.3° | 179.9° |
| C08 | C09 | C02 | H5 | 179.8° | 180.0° |
| C09 | C08 | C07 | H12 | 171.8° | 180.0° |
| C09 | C08 | C07 | H13 | 52.6° | 60.0° |
| C08 | C09 | H14 | H15 | 120.5° | 120.0° |
| C09 | C08 | C11 | H16 | 40.9° | 60.0° |
| C09 | C08 | C11 | H17 | 77.8° | 180.0° |
| C10 | C08 | C07 | C11 | 121.1° | 120.0° |
| C10 | C08 | C11 | C12 | 78.5° | 180.0° |
| C08 | C10 | H1 | H2 | 118.4° | 120.1° |
| C08 | C10 | C04 | H8 | 179.7° | 180.0° |
| C10 | C08 | C07 | H12 | 70.1° | 60.0° |
| C10 | C08 | C07 | H13 | 170.8° | 180.0° |
| C10 | C08 | C09 | H14 | 178.8° | 180.0° |
| C10 | C08 | C09 | H15 | 60.8° | 60.0° |
| C10 | C08 | C11 | H16 | 160.9° | 60.0° |
| C10 | C08 | C11 | H17 | 42.2° | 60.0° |
| C07 | C08 | C11 | C12 | 41.6° | 60.0° |
| C07 | C08 | C10 | H1 | 171.1° | 179.9° |
| C07 | C08 | C10 | H2 | 69.9° | 59.9° |
| C08 | C07 | C06 | H11 | 179.6° | 180.0° |
| C08 | C07 | H12 | H13 | 118.7° | 120.0° |
| C07 | C08 | C09 | H14 | 61.0° | 60.0° |
| C07 | C08 | C09 | H15 | 178.6° | 180.0° |
| C07 | C08 | C11 | H16 | 79.0° | 180.0° |
| C07 | C08 | C11 | H17 | 162.3° | 60.0° |
| C08 | C11 | C12 | H16 | 120.6° | 120.0° |
| C08 | C11 | C12 | H17 | 120.6° | 120.0° |
| C08 | C11 | C12 | O14 | 83.2° | 0.0° |
| C08 | C11 | C12 | O13 | 97.0° | 180.0° |
| C11 | C08 | C10 | H1 | 67.2° | 60.1° |
| C11 | C08 | C10 | H2 | 51.8° | 60.1° |
| C11 | C08 | C07 | H12 | 51.0° | 60.0° |
| C11 | C08 | C07 | H13 | 68.1° | 60.0° |
| C11 | C08 | C09 | H14 | 60.5° | 60.0° |
| C11 | C08 | C09 | H15 | 59.8° | 60.0° |
| C08 | C11 | H16 | H17 | 118.0° | 120.0° |
| C11 | C12 | O14 | O13 | 179.8° | 180.0° |
| C12 | C11 | H16 | H17 | 118.1° | 120.0° |
| C11 | C12 | O13 | H18 | 179.8° | 180.0° |
| O14 | C12 | C11 | H16 | 156.2° | 120.0° |
| O14 | C12 | C11 | H17 | 37.5° | 120.0° |
| O14 | C12 | O13 | H18 | 0.0° | 0.0° |
| O13 | C12 | C11 | H16 | 23.6° | 60.0° |
| O13 | C12 | C11 | H17 | 142.3° | 60.0° |
| H1 | C10 | C04 | H8 | 59.2° | 60.0° |
| H2 | C10 | C04 | H8 | 59.8° | 60.0° |
| H3 | C01 | C02 | H5 | 50.2° | 60.0° |
| H3 | C01 | C06 | H11 | 56.5° | 60.0° |
| H4 | C01 | C02 | H5 | 68.9° | 59.9° |
| H4 | C01 | C06 | H11 | 62.5° | 59.9° |
| H5 | C02 | C03 | H6 | 69.5° | 60.0° |
| H5 | C02 | C03 | H7 | 49.6° | 60.0° |
| H5 | C02 | C09 | H14 | 60.4° | 60.0° |
| H5 | C02 | C09 | H15 | 59.9° | 60.0° |
| H6 | C03 | C04 | H8 | 63.6° | 60.0° |
| H7 | C03 | C04 | H8 | 55.5° | 60.0° |
| H8 | C04 | C05 | H9 | 58.2° | 60.0° |
| H8 | C04 | C05 | H10 | 60.8° | 60.0° |
| H9 | C05 | C06 | H11 | 57.8° | 60.0° |
| H10 | C05 | C06 | H11 | 61.3° | 60.0° |
| H11 | C06 | C07 | H12 | 59.2° | 60.0° |
| H11 | C06 | C07 | H13 | 59.9° | 60.0° |
