6E4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C08 | doub | 1.21Å | 1.26Å | |
| O03 | C02 | doub | 1.21Å | 1.23Å | |
| C08 | C06 | sing | 1.51Å | 1.51Å | |
| C08 | N09 | sing | 1.35Å | 1.36Å | |
| C02 | C04 | sing | 1.51Å | 1.48Å | |
| C02 | N01 | sing | 1.35Å | 1.37Å | |
| C06 | C05 | sing | 1.53Å | 1.48Å | |
| C06 | N07 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.47Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| N07 | H8 | sing | 1.01Å | 1.00Å | |
| N07 | H9 | sing | 1.01Å | 1.00Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C08 | C06 | 122.7° | 120.0° |
| O10 | C08 | N09 | 119.5° | 120.0° |
| O03 | C02 | C04 | 121.2° | 120.0° |
| O03 | C02 | N01 | 120.8° | 120.0° |
| C06 | C08 | N09 | 117.8° | 120.0° |
| C08 | C06 | C05 | 106.9° | 109.5° |
| C08 | C06 | N07 | 109.4° | 109.5° |
| C08 | C06 | H7 | 109.3° | 109.5° |
| C08 | N09 | H11 | 120.0° | 120.0° |
| C08 | N09 | H12 | 120.0° | 120.0° |
| C04 | C02 | N01 | 118.0° | 119.9° |
| C02 | C04 | C05 | 109.9° | 109.4° |
| C02 | C04 | H3 | 109.4° | 109.5° |
| C02 | C04 | H4 | 109.4° | 109.5° |
| C02 | N01 | H1 | 120.0° | 120.0° |
| C02 | N01 | H2 | 120.0° | 119.9° |
| C05 | C06 | N07 | 111.1° | 109.5° |
| C06 | C05 | C04 | 111.1° | 109.4° |
| C06 | C05 | H5 | 109.0° | 109.5° |
| C06 | C05 | H6 | 109.1° | 109.5° |
| C05 | C06 | H7 | 109.7° | 109.5° |
| N07 | C06 | H7 | 110.3° | 109.5° |
| C06 | N07 | H8 | 109.5° | 111.0° |
| C06 | N07 | H9 | 109.5° | 111.0° |
| C05 | C04 | H3 | 109.4° | 109.5° |
| C05 | C04 | H4 | 109.4° | 109.4° |
| C04 | C05 | H5 | 109.1° | 109.5° |
| C04 | C05 | H6 | 109.1° | 109.5° |
| H1 | N01 | H2 | 120.0° | 120.1° |
| H3 | C04 | H4 | 109.4° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.4° |
| H8 | N07 | H9 | 109.5° | 111.0° |
| H11 | N09 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C08 | C06 | N09 | 177.1° | 180.0° |
| O10 | C08 | C06 | C05 | 90.5° | 100.0° |
| O10 | C08 | C06 | N07 | 149.1° | 20.0° |
| O10 | C08 | C06 | H7 | 28.2° | 140.0° |
| O10 | C08 | N09 | H11 | 0.0° | 179.9° |
| O10 | C08 | N09 | H12 | 180.0° | 0.0° |
| O03 | C02 | C04 | N01 | 178.2° | 180.0° |
| O03 | C02 | C04 | C05 | 67.4° | 0.0° |
| O03 | C02 | N01 | H1 | 0.0° | 180.0° |
| O03 | C02 | N01 | H2 | 180.0° | 0.3° |
| O03 | C02 | C04 | H3 | 172.6° | 120.0° |
| O03 | C02 | C04 | H4 | 52.7° | 119.9° |
| C08 | C06 | C05 | N07 | 119.3° | 120.0° |
| C08 | C06 | C05 | H7 | 118.5° | 120.0° |
| C08 | C06 | N07 | H7 | 120.3° | 120.0° |
| C08 | C06 | C05 | C04 | 173.4° | 175.1° |
| C08 | C06 | C05 | H5 | 66.3° | 55.0° |
| C08 | C06 | C05 | H6 | 53.2° | 65.0° |
| C08 | C06 | N07 | H8 | 180.0° | 60.0° |
| C08 | C06 | N07 | H9 | 60.0° | 176.1° |
| C06 | C08 | N09 | H11 | 177.2° | 0.0° |
| C06 | C08 | N09 | H12 | 2.8° | 180.0° |
| N09 | C08 | C06 | C05 | 92.4° | 80.0° |
| N09 | C08 | C06 | N07 | 28.0° | 160.0° |
| N09 | C08 | C06 | H7 | 148.9° | 40.0° |
| C08 | N09 | H11 | H12 | 180.0° | 180.0° |
| C02 | C04 | C05 | C06 | 168.0° | 180.0° |
| C02 | C04 | C05 | H3 | 120.1° | 120.0° |
| C02 | C04 | C05 | H4 | 120.1° | 119.9° |
| C04 | C02 | N01 | H1 | 178.2° | 0.0° |
| C04 | C02 | N01 | H2 | 1.7° | 179.7° |
| C02 | C04 | H3 | H4 | 119.8° | 120.0° |
| C02 | C04 | C05 | H5 | 71.8° | 59.9° |
| C02 | C04 | C05 | H6 | 47.7° | 60.0° |
| N01 | C02 | C04 | C05 | 114.4° | 180.0° |
| C02 | N01 | H1 | H2 | 180.0° | 179.7° |
| N01 | C02 | C04 | H3 | 5.7° | 60.0° |
| N01 | C02 | C04 | H4 | 125.5° | 60.1° |
| C05 | C06 | N07 | H7 | 121.9° | 120.0° |
| C06 | C05 | C04 | H5 | 120.2° | 120.1° |
| C06 | C05 | C04 | H6 | 120.2° | 120.0° |
| C06 | C05 | C04 | H3 | 71.9° | 60.0° |
| C06 | C05 | C04 | H4 | 47.9° | 60.1° |
| C06 | C05 | H5 | H6 | 119.2° | 120.0° |
| C05 | C06 | N07 | H8 | 62.2° | 60.0° |
| C05 | C06 | N07 | H9 | 177.7° | 63.9° |
| N07 | C06 | C05 | C04 | 67.3° | 65.0° |
| N07 | C06 | C05 | H5 | 53.0° | 175.0° |
| N07 | C06 | C05 | H6 | 172.4° | 55.0° |
| C06 | N07 | H8 | H9 | 120.0° | 123.9° |
| C05 | C04 | H3 | H4 | 119.8° | 120.0° |
| C04 | C05 | H5 | H6 | 119.3° | 120.0° |
| C04 | C05 | C06 | H7 | 55.0° | 55.1° |
| H3 | C04 | C05 | H5 | 48.3° | 179.9° |
| H3 | C04 | C05 | H6 | 167.8° | 60.0° |
| H4 | C04 | C05 | H5 | 168.2° | 60.0° |
| H4 | C04 | C05 | H6 | 72.3° | 180.0° |
| H5 | C05 | C06 | H7 | 175.2° | 65.0° |
| H6 | C05 | C06 | H7 | 65.3° | 175.0° |
| H7 | C06 | N07 | H8 | 59.7° | 180.0° |
| H7 | C06 | N07 | H9 | 60.3° | 56.1° |
