1E1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| C31 | C29 | sing | 1.53Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| C27 | C33 | sing | 1.53Å | 1.54Å | |
| O34 | C36 | doub | 1.21Å | 1.24Å | |
| C36 | N35 | sing | 1.35Å | 1.33Å | |
| C36 | C33 | sing | 1.51Å | 1.51Å | |
| C33 | O32 | sing | 1.43Å | 1.46Å | |
| N26 | H32 | sing | 1.01Å | 1.00Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| O32 | H41 | sing | 0.97Å | 0.95Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| N35 | H43 | sing | 0.97Å | 1.00Å | |
| N35 | H44 | sing | 0.97Å | 1.00Å | |
| N26 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 59.2° | 60.0° |
| C30 | C31 | C29 | 59.7° | 60.0° |
| C31 | C30 | H37 | 120.1° | 117.5° |
| C31 | C30 | H38 | 120.1° | 117.5° |
| C30 | C31 | H39 | 120.1° | 117.5° |
| C30 | C31 | H40 | 120.0° | 117.5° |
| C30 | C29 | C31 | 61.1° | 60.0° |
| C30 | C29 | C28 | 119.5° | 117.5° |
| C30 | C29 | H36 | 115.4° | 117.5° |
| C29 | C30 | H37 | 120.1° | 117.5° |
| C29 | C30 | H38 | 120.1° | 117.5° |
| C31 | C29 | C28 | 119.8° | 117.5° |
| C31 | C29 | H36 | 115.5° | 117.5° |
| C29 | C31 | H39 | 120.1° | 117.5° |
| C29 | C31 | H40 | 120.1° | 117.5° |
| C29 | C28 | C27 | 109.5° | 109.5° |
| C29 | C28 | H34 | 109.5° | 109.5° |
| C29 | C28 | H35 | 109.5° | 109.4° |
| C28 | C29 | H36 | 115.0° | 115.5° |
| C28 | C27 | N26 | 111.1° | 109.5° |
| C28 | C27 | C33 | 109.9° | 109.5° |
| C28 | C27 | H33 | 108.2° | 109.5° |
| C27 | C28 | H34 | 109.5° | 109.5° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| N26 | C27 | C33 | 110.3° | 109.4° |
| C27 | N26 | H32 | 109.5° | 111.0° |
| N26 | C27 | H33 | 109.1° | 109.4° |
| C27 | N26 | H2 | 109.4° | 110.9° |
| C27 | C33 | C36 | 107.8° | 109.5° |
| C27 | C33 | O32 | 110.2° | 109.5° |
| C33 | C27 | H33 | 108.1° | 109.4° |
| C27 | C33 | H42 | 109.0° | 109.5° |
| O34 | C36 | N35 | 123.3° | 120.0° |
| O34 | C36 | C33 | 119.9° | 120.0° |
| N35 | C36 | C33 | 116.8° | 120.0° |
| C36 | N35 | H43 | 120.0° | 120.0° |
| C36 | N35 | H44 | 120.0° | 120.0° |
| C36 | C33 | O32 | 110.2° | 109.5° |
| C36 | C33 | H42 | 109.5° | 109.5° |
| C33 | O32 | H41 | 109.5° | 114.0° |
| O32 | C33 | H42 | 110.1° | 109.5° |
| H32 | N26 | H2 | 109.5° | 111.0° |
| H34 | C28 | H35 | 109.4° | 109.4° |
| H37 | C30 | H38 | 109.5° | 115.5° |
| H39 | C31 | H40 | 109.5° | 115.5° |
| H43 | N35 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H37 | 109.2° | 107.5° |
| C31 | C30 | C29 | H38 | 109.3° | 107.5° |
| C30 | C31 | C29 | H39 | 109.4° | 107.5° |
| C30 | C31 | C29 | H40 | 109.4° | 107.5° |
| C31 | C30 | C29 | C28 | 109.9° | 107.5° |
| C31 | C30 | C29 | H36 | 106.4° | 107.5° |
| C31 | C30 | H37 | H38 | 145.1° | 145.7° |
| C30 | C31 | H39 | H40 | 144.9° | 145.7° |
| C30 | C29 | C28 | H36 | 143.8° | 145.7° |
| C30 | C29 | C28 | C27 | 93.3° | 175.1° |
| C30 | C29 | C28 | H34 | 26.7° | 64.9° |
| C30 | C29 | C28 | H35 | 146.7° | 55.1° |
| C29 | C30 | H37 | H38 | 145.2° | 145.7° |
| C31 | C29 | C28 | H36 | 144.6° | 145.6° |
| C31 | C29 | C28 | C27 | 164.9° | 116.3° |
| C31 | C29 | C28 | H34 | 44.9° | 3.8° |
| C31 | C29 | C28 | H35 | 75.1° | 123.7° |
| C29 | C31 | H39 | H40 | 144.9° | 145.7° |
| C29 | C28 | C27 | H34 | 120.0° | 120.0° |
| C29 | C28 | C27 | H35 | 120.0° | 120.0° |
| C29 | C28 | C27 | N26 | 55.3° | 65.0° |
| C29 | C28 | C27 | C33 | 177.6° | 175.0° |
| C29 | C28 | C27 | H33 | 64.6° | 55.0° |
| C29 | C28 | H34 | H35 | 120.0° | 119.9° |
| C28 | C29 | C30 | H37 | 140.8° | 0.0° |
| C28 | C29 | C30 | H38 | 0.7° | 145.0° |
| C28 | C29 | C31 | H39 | 0.1° | 145.0° |
| C28 | C29 | C31 | H40 | 141.3° | 0.0° |
| C28 | C27 | N26 | C33 | 122.1° | 120.0° |
| C28 | C27 | N26 | H33 | 119.3° | 120.0° |
| C28 | C27 | C33 | H33 | 117.9° | 120.0° |
| C28 | C27 | C33 | C36 | 72.2° | 180.0° |
| C28 | C27 | C33 | O32 | 167.5° | 60.0° |
| C28 | C27 | N26 | H32 | 180.0° | 59.9° |
| C27 | C28 | H34 | H35 | 120.0° | 120.1° |
| C27 | C28 | C29 | H36 | 50.5° | 29.4° |
| C28 | C27 | C33 | H42 | 46.6° | 60.0° |
| C28 | C27 | N26 | H2 | 60.0° | 63.9° |
| N26 | C27 | C33 | H33 | 119.2° | 119.9° |
| N26 | C27 | C33 | C36 | 165.0° | 60.0° |
| N26 | C27 | C33 | O32 | 44.6° | 60.0° |
| C27 | N26 | H32 | H2 | 120.0° | 123.9° |
| N26 | C27 | C28 | H34 | 175.3° | 55.0° |
| N26 | C27 | C28 | H35 | 64.7° | 175.0° |
| N26 | C27 | C33 | H42 | 76.3° | 180.0° |
| C27 | C33 | C36 | O34 | 73.7° | 115.0° |
| C27 | C33 | C36 | N35 | 106.0° | 65.0° |
| C27 | C33 | C36 | O32 | 120.3° | 120.0° |
| C27 | C33 | C36 | H42 | 118.5° | 120.0° |
| C27 | C33 | O32 | H42 | 120.3° | 120.0° |
| C33 | C27 | N26 | H32 | 57.9° | 60.1° |
| C33 | C27 | C28 | H34 | 62.3° | 65.0° |
| C33 | C27 | C28 | H35 | 57.6° | 55.0° |
| C27 | C33 | O32 | H41 | 180.0° | 60.0° |
| C33 | C27 | N26 | H2 | 62.1° | 176.0° |
| O34 | C36 | N35 | C33 | 179.8° | 179.9° |
| O34 | C36 | C33 | O32 | 165.9° | 5.0° |
| O34 | C36 | C33 | H42 | 44.7° | 125.0° |
| O34 | C36 | N35 | H43 | 0.0° | 0.1° |
| O34 | C36 | N35 | H44 | 180.0° | 180.0° |
| N35 | C36 | C33 | O32 | 14.3° | 175.0° |
| N35 | C36 | C33 | H42 | 135.5° | 55.0° |
| C36 | N35 | H43 | H44 | 180.0° | 179.9° |
| C36 | C33 | O32 | H42 | 120.9° | 120.0° |
| C36 | C33 | C27 | H33 | 45.7° | 59.9° |
| C36 | C33 | O32 | H41 | 61.1° | 60.0° |
| C33 | C36 | N35 | H43 | 179.8° | 180.0° |
| C33 | C36 | N35 | H44 | 0.2° | 0.1° |
| O32 | C33 | C27 | H33 | 74.6° | 180.0° |
| H32 | N26 | C27 | H33 | 60.7° | 180.0° |
| H33 | C27 | C28 | H34 | 55.5° | 175.0° |
| H33 | C27 | C28 | H35 | 175.4° | 65.0° |
| H33 | C27 | C33 | H42 | 164.5° | 60.1° |
| H33 | C27 | N26 | H2 | 179.3° | 56.1° |
| H34 | C28 | C29 | H36 | 170.5° | 149.4° |
| H35 | C28 | C29 | H36 | 69.5° | 90.7° |
| H36 | C29 | C30 | H37 | 2.8° | 145.0° |
| H36 | C29 | C30 | H38 | 144.3° | 0.0° |
| H36 | C29 | C31 | H39 | 144.4° | 0.0° |
| H36 | C29 | C31 | H40 | 3.1° | 145.0° |
| H37 | C30 | C31 | H39 | 141.4° | 145.0° |
| H37 | C30 | C31 | H40 | 0.1° | 0.0° |
| H38 | C30 | C31 | H39 | 0.1° | 0.0° |
| H38 | C30 | C31 | H40 | 141.3° | 145.0° |
| H41 | O32 | C33 | H42 | 59.7° | 180.0° |
