YEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| C03 | N02 | sing | 1.46Å | 1.45Å | |
| S04 | N02 | sing | 1.66Å | 1.71Å | |
| O05 | S04 | doub | 1.42Å | 1.47Å | |
| O06 | S04 | doub | 1.42Å | 1.48Å | |
| N07 | S04 | sing | 1.66Å | 1.72Å | |
| C08 | N07 | sing | 1.47Å | 1.47Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| O10 | C09 | sing | 1.43Å | 1.39Å | |
| C11 | O10 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N07 | C12 | sing | 1.47Å | 1.47Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 120.5° | 120.0° |
| C01 | N02 | S04 | 117.7° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| C03 | N02 | S04 | 119.6° | 120.0° |
| N02 | C03 | H032 | 109.5° | 109.5° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | S04 | O05 | 109.0° | 106.4° |
| N02 | S04 | O06 | 110.2° | 106.4° |
| N02 | S04 | N07 | 112.7° | 107.2° |
| O05 | S04 | O06 | 108.0° | 123.1° |
| O05 | S04 | N07 | 108.1° | 106.4° |
| O06 | S04 | N07 | 108.8° | 106.4° |
| S04 | N07 | C08 | 121.3° | 121.0° |
| S04 | N07 | C12 | 122.2° | 121.0° |
| N07 | C08 | C09 | 112.6° | 108.4° |
| C08 | N07 | C12 | 108.0° | 118.0° |
| N07 | C08 | H081 | 108.7° | 109.7° |
| N07 | C08 | H082 | 108.7° | 109.7° |
| C08 | C09 | O10 | 111.8° | 109.2° |
| C09 | C08 | H081 | 108.7° | 109.7° |
| C09 | C08 | H082 | 108.7° | 109.7° |
| C08 | C09 | H092 | 108.9° | 109.5° |
| C08 | C09 | H091 | 108.9° | 109.5° |
| C09 | O10 | C11 | 113.8° | 114.2° |
| O10 | C09 | H092 | 108.9° | 109.5° |
| O10 | C09 | H091 | 108.9° | 109.6° |
| O10 | C11 | C12 | 113.7° | 109.2° |
| O10 | C11 | H111 | 108.4° | 109.5° |
| O10 | C11 | H112 | 108.4° | 109.6° |
| C11 | C12 | N07 | 110.3° | 108.4° |
| C12 | C11 | H111 | 108.4° | 109.5° |
| C12 | C11 | H112 | 108.4° | 109.6° |
| C11 | C12 | H122 | 109.3° | 109.6° |
| C11 | C12 | H121 | 109.3° | 109.7° |
| N07 | C12 | H122 | 109.3° | 109.7° |
| N07 | C12 | H121 | 109.3° | 109.7° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.4° | 109.4° |
| H032 | C03 | H031 | 109.4° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.6° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | S04 | 162.6° | 180.0° |
| C01 | N02 | S04 | O05 | 56.0° | 23.6° |
| C01 | N02 | S04 | O06 | 174.3° | 156.4° |
| C01 | N02 | S04 | N07 | 64.0° | 90.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 180.0° | 90.0° |
| C01 | N02 | C03 | H033 | 60.0° | 150.0° |
| C01 | N02 | C03 | H031 | 60.0° | 30.0° |
| C03 | N02 | S04 | O05 | 140.9° | 156.4° |
| C03 | N02 | S04 | O06 | 22.6° | 23.6° |
| C03 | N02 | S04 | N07 | 99.1° | 90.0° |
| C03 | N02 | C01 | H011 | 180.0° | 90.0° |
| C03 | N02 | C01 | H012 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.0° |
| N02 | C03 | H032 | H033 | 120.0° | 120.0° |
| N02 | C03 | H032 | H031 | 120.0° | 120.0° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| N02 | S04 | O05 | O06 | 119.7° | 122.9° |
| N02 | S04 | O05 | N07 | 122.8° | 114.1° |
| N02 | S04 | O06 | N07 | 124.0° | 114.1° |
| N02 | S04 | N07 | C08 | 52.2° | 90.0° |
| N02 | S04 | N07 | C12 | 163.7° | 90.1° |
| S04 | N02 | C01 | H011 | 17.1° | 90.0° |
| S04 | N02 | C01 | H012 | 102.9° | 30.0° |
| S04 | N02 | C01 | H013 | 137.1° | 150.0° |
| S04 | N02 | C03 | H032 | 17.4° | 90.0° |
| S04 | N02 | C03 | H033 | 137.4° | 30.0° |
| S04 | N02 | C03 | H031 | 102.6° | 150.0° |
| O05 | S04 | O06 | N07 | 117.1° | 123.0° |
| O05 | S04 | N07 | C08 | 172.7° | 23.5° |
| O05 | S04 | N07 | C12 | 43.2° | 156.4° |
| O06 | S04 | N07 | C08 | 70.3° | 156.4° |
| O06 | S04 | N07 | C12 | 73.8° | 23.5° |
| S04 | N07 | C08 | C12 | 148.5° | 179.9° |
| S04 | N07 | C08 | C09 | 155.4° | 129.4° |
| S04 | N07 | C12 | C11 | 156.5° | 129.4° |
| S04 | N07 | C08 | H081 | 84.2° | 9.7° |
| S04 | N07 | C08 | H082 | 34.9° | 110.8° |
| S04 | N07 | C12 | H122 | 83.4° | 110.9° |
| S04 | N07 | C12 | H121 | 36.4° | 9.7° |
| N07 | C08 | C09 | H081 | 120.5° | 119.7° |
| N07 | C08 | C09 | H082 | 120.5° | 119.8° |
| N07 | C08 | C09 | O10 | 54.0° | 52.3° |
| C08 | N07 | C12 | C11 | 55.3° | 50.5° |
| N07 | C08 | H081 | H082 | 118.6° | 120.5° |
| N07 | C08 | C09 | H092 | 174.4° | 172.2° |
| N07 | C08 | C09 | H091 | 66.3° | 67.7° |
| C08 | N07 | C12 | H122 | 64.8° | 69.2° |
| C08 | N07 | C12 | H121 | 175.4° | 170.2° |
| C08 | C09 | O10 | H092 | 120.4° | 119.9° |
| C08 | C09 | O10 | H091 | 120.4° | 120.0° |
| C08 | C09 | O10 | C11 | 51.1° | 62.6° |
| C09 | C08 | N07 | C12 | 56.1° | 50.5° |
| C09 | C08 | H081 | H082 | 118.6° | 120.5° |
| C08 | C09 | H092 | H091 | 118.9° | 120.1° |
| C09 | O10 | C11 | C12 | 52.7° | 62.6° |
| O10 | C09 | C08 | H081 | 66.4° | 172.1° |
| O10 | C09 | C08 | H082 | 174.5° | 67.5° |
| O10 | C09 | H092 | H091 | 118.9° | 120.2° |
| C09 | O10 | C11 | H111 | 173.3° | 57.3° |
| C09 | O10 | C11 | H112 | 68.0° | 177.4° |
| O10 | C11 | C12 | H111 | 120.6° | 119.9° |
| O10 | C11 | C12 | H112 | 120.6° | 120.0° |
| O10 | C11 | C12 | N07 | 55.0° | 52.3° |
| C11 | O10 | C09 | H092 | 171.5° | 177.5° |
| C11 | O10 | C09 | H091 | 69.2° | 57.4° |
| O10 | C11 | H111 | H112 | 118.0° | 120.1° |
| O10 | C11 | C12 | H122 | 65.1° | 67.5° |
| O10 | C11 | C12 | H121 | 175.1° | 172.0° |
| C11 | C12 | N07 | H122 | 120.1° | 119.7° |
| C11 | C12 | N07 | H121 | 120.1° | 119.8° |
| C12 | C11 | H111 | H112 | 118.1° | 120.1° |
| C11 | C12 | H122 | H121 | 119.6° | 120.5° |
| C12 | N07 | C08 | H081 | 64.4° | 170.2° |
| C12 | N07 | C08 | H082 | 176.5° | 69.3° |
| N07 | C12 | C11 | H111 | 175.6° | 67.7° |
| N07 | C12 | C11 | H112 | 65.6° | 172.3° |
| N07 | C12 | H122 | H121 | 119.6° | 120.6° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H081 | C08 | C09 | H092 | 53.9° | 68.1° |
| H081 | C08 | C09 | H091 | 173.2° | 52.1° |
| H082 | C08 | C09 | H092 | 65.2° | 52.4° |
| H082 | C08 | C09 | H091 | 54.1° | 172.6° |
| H111 | C11 | C12 | H122 | 55.5° | 172.6° |
| H111 | C11 | C12 | H121 | 64.3° | 52.1° |
| H112 | C11 | C12 | H122 | 174.3° | 52.6° |
| H112 | C11 | C12 | H121 | 54.5° | 67.9° |
