E1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | CAE | sing | 1.74Å | 1.75Å | |
| CAN | NAQ | sing | 1.47Å | 1.45Å | |
| CAD | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.41Å | 1.39Å | Aromatic |
| CAV | CAU | sing | 1.53Å | 1.50Å | |
| CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.51Å | 1.38Å | |
| NAQ | CAC | doub | 1.33Å | 1.34Å | Aromatic |
| NAQ | CAG | sing | 1.32Å | 1.33Å | Aromatic |
| CAC | CAB | sing | 1.42Å | 1.38Å | Aromatic |
| CAS | CAT | doub | 1.29Å | 1.39Å | |
| CAS | CAL | sing | 1.50Å | 1.38Å | |
| CAF | CAA | doub | 1.36Å | 1.40Å | Aromatic |
| CAT | CAR | sing | 1.50Å | 1.45Å | |
| CAM | CAG | sing | 1.51Å | 1.42Å | |
| CAM | CAL | sing | 1.53Å | 1.51Å | |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.40Å | 1.39Å | Aromatic |
| CAB | CAI | doub | 1.41Å | 1.40Å | Aromatic |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAR | CAJ | sing | 1.53Å | 1.56Å | |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.51Å | 1.40Å | |
| CAI | NAO | sing | 1.39Å | 1.34Å | |
| CAJ | CAK | sing | 1.53Å | 1.52Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAR | H14 | sing | 1.09Å | 1.10Å | |
| CAS | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.09Å | 1.10Å | |
| CAU | H17 | sing | 1.09Å | 1.10Å | |
| CAV | H18 | sing | 1.09Å | 1.10Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å | |
| CAV | H20 | sing | 1.09Å | 1.10Å | |
| NAO | H21 | sing | 0.97Å | 1.00Å | |
| NAO | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | CAE | CAD | 118.7° | 119.4° |
| CLA | CAE | CAF | 120.9° | 119.5° |
| CAN | NAQ | CAC | 118.4° | 118.7° |
| CAN | NAQ | CAG | 117.8° | 118.7° |
| NAQ | CAN | H10 | 109.5° | 109.5° |
| NAQ | CAN | H11 | 109.5° | 109.5° |
| NAQ | CAN | H12 | 109.5° | 109.5° |
| CAE | CAD | CAC | 119.7° | 119.7° |
| CAD | CAE | CAF | 120.4° | 121.0° |
| CAE | CAD | H2 | 120.1° | 120.2° |
| CAD | CAC | NAQ | 118.8° | 121.3° |
| CAD | CAC | CAB | 120.7° | 119.0° |
| CAC | CAD | H2 | 120.1° | 120.1° |
| CAV | CAU | CAT | 113.5° | 109.4° |
| CAV | CAU | H16 | 108.5° | 109.4° |
| CAV | CAU | H17 | 108.5° | 109.4° |
| CAU | CAV | H18 | 109.5° | 109.4° |
| CAU | CAV | H19 | 109.5° | 109.4° |
| CAU | CAV | H20 | 109.5° | 109.4° |
| CAE | CAF | CAA | 118.9° | 120.8° |
| CAE | CAF | H3 | 120.5° | 119.6° |
| CAU | CAT | CAS | 111.3° | 118.2° |
| CAU | CAT | CAR | 124.5° | 118.2° |
| CAT | CAU | H16 | 108.5° | 109.5° |
| CAT | CAU | H17 | 108.5° | 109.5° |
| CAC | NAQ | CAG | 123.8° | 122.6° |
| NAQ | CAC | CAB | 120.5° | 119.7° |
| NAQ | CAG | CAM | 115.9° | 117.0° |
| NAQ | CAG | CAH | 119.4° | 121.0° |
| CAC | CAB | CAA | 119.6° | 119.8° |
| CAC | CAB | CAI | 117.2° | 118.6° |
| CAT | CAS | CAL | 121.9° | 124.3° |
| CAS | CAT | CAR | 123.7° | 123.7° |
| CAT | CAS | H15 | 119.1° | 117.9° |
| CAS | CAL | CAM | 108.4° | 109.8° |
| CAS | CAL | CAK | 112.1° | 110.4° |
| CAS | CAL | H7 | 110.7° | 109.4° |
| CAL | CAS | H15 | 119.1° | 117.8° |
| CAF | CAA | CAB | 120.6° | 119.6° |
| CAF | CAA | H1 | 119.7° | 120.2° |
| CAA | CAF | H3 | 120.5° | 119.6° |
| CAT | CAR | CAJ | 112.7° | 109.7° |
| CAT | CAR | H13 | 108.6° | 109.5° |
| CAT | CAR | H14 | 108.7° | 109.4° |
| CAG | CAM | CAL | 112.6° | 110.3° |
| CAM | CAG | CAH | 124.6° | 122.0° |
| CAG | CAM | H8 | 108.7° | 109.3° |
| CAG | CAM | H9 | 108.7° | 109.3° |
| CAM | CAL | CAK | 108.4° | 108.3° |
| CAM | CAL | H7 | 108.8° | 109.4° |
| CAL | CAM | H8 | 108.7° | 109.3° |
| CAL | CAM | H9 | 108.7° | 109.4° |
| CAG | CAH | CAI | 117.8° | 119.7° |
| CAG | CAH | CAJ | 121.0° | 122.8° |
| CAA | CAB | CAI | 123.2° | 121.6° |
| CAB | CAA | H1 | 119.7° | 120.2° |
| CAB | CAI | CAH | 121.3° | 118.4° |
| CAB | CAI | NAO | 118.6° | 120.8° |
| CAL | CAK | CAJ | 108.7° | 107.6° |
| CAL | CAK | H5 | 109.7° | 109.8° |
| CAL | CAK | H6 | 109.7° | 109.9° |
| CAK | CAL | H7 | 108.5° | 109.4° |
| CAR | CAJ | CAH | 106.7° | 109.3° |
| CAR | CAJ | CAK | 106.5° | 108.4° |
| CAR | CAJ | H4 | 109.4° | 109.5° |
| CAJ | CAR | H13 | 108.6° | 109.4° |
| CAJ | CAR | H14 | 108.6° | 109.4° |
| CAI | CAH | CAJ | 121.1° | 117.5° |
| CAH | CAI | NAO | 120.1° | 120.8° |
| CAH | CAJ | CAK | 112.6° | 110.6° |
| CAH | CAJ | H4 | 111.7° | 109.5° |
| CAI | NAO | H21 | 109.5° | 120.1° |
| CAI | NAO | H22 | 109.5° | 120.0° |
| CAK | CAJ | H4 | 109.9° | 109.5° |
| CAJ | CAK | H5 | 109.6° | 109.8° |
| CAJ | CAK | H6 | 109.7° | 109.8° |
| H5 | CAK | H6 | 109.5° | 109.9° |
| H8 | CAM | H9 | 109.5° | 109.2° |
| H10 | CAN | H11 | 109.5° | 109.5° |
| H10 | CAN | H12 | 109.4° | 109.4° |
| H11 | CAN | H12 | 109.4° | 109.5° |
| H13 | CAR | H14 | 109.5° | 109.5° |
| H16 | CAU | H17 | 109.4° | 109.5° |
| H18 | CAV | H19 | 109.5° | 109.5° |
| H18 | CAV | H20 | 109.5° | 109.5° |
| H19 | CAV | H20 | 109.4° | 109.5° |
| H21 | NAO | H22 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | CAE | CAD | CAF | 178.6° | 179.8° |
| CLA | CAE | CAD | CAC | 178.4° | 180.0° |
| CLA | CAE | CAF | CAA | 178.8° | 179.7° |
| CLA | CAE | CAD | H2 | 1.6° | 0.3° |
| CLA | CAE | CAF | H3 | 1.1° | 0.2° |
| CAN | NAQ | CAC | CAD | 1.2° | 0.2° |
| CAN | NAQ | CAC | CAG | 177.4° | 180.0° |
| CAN | NAQ | CAC | CAB | 179.9° | 179.9° |
| CAN | NAQ | CAG | CAM | 2.5° | 0.4° |
| CAN | NAQ | CAG | CAH | 179.5° | 179.7° |
| NAQ | CAN | H10 | H11 | 120.0° | 120.1° |
| NAQ | CAN | H10 | H12 | 120.0° | 120.0° |
| NAQ | CAN | H11 | H12 | 120.0° | 120.1° |
| CAE | CAD | CAC | H2 | 180.0° | 179.8° |
| CAE | CAD | CAC | NAQ | 179.3° | 179.9° |
| CAE | CAD | CAC | CAB | 0.4° | 0.1° |
| CAD | CAE | CAF | CAA | 0.3° | 0.5° |
| CAD | CAE | CAF | H3 | 179.7° | 179.9° |
| CAC | CAD | CAE | CAF | 0.2° | 0.2° |
| CAD | CAC | NAQ | CAB | 178.9° | 179.9° |
| CAD | CAC | NAQ | CAG | 178.6° | 179.9° |
| CAD | CAC | CAB | CAA | 0.1° | 0.0° |
| CAD | CAC | CAB | CAI | 179.9° | 179.9° |
| CAV | CAU | CAT | H16 | 120.6° | 119.9° |
| CAV | CAU | CAT | H17 | 120.6° | 120.0° |
| CAV | CAU | CAT | CAS | 160.7° | 95.0° |
| CAV | CAU | CAT | CAR | 27.0° | 84.7° |
| CAV | CAU | H16 | H17 | 118.2° | 120.0° |
| CAU | CAV | H18 | H19 | 120.0° | 119.9° |
| CAU | CAV | H18 | H20 | 120.0° | 120.0° |
| CAU | CAV | H19 | H20 | 120.0° | 120.0° |
| CAE | CAF | CAA | H3 | 180.0° | 179.6° |
| CAE | CAF | CAA | CAB | 0.6° | 0.6° |
| CAE | CAF | CAA | H1 | 179.4° | 179.8° |
| CAF | CAE | CAD | H2 | 179.8° | 180.0° |
| CAU | CAT | CAS | CAR | 172.3° | 179.7° |
| CAU | CAT | CAS | CAL | 177.5° | 179.8° |
| CAU | CAT | CAR | CAJ | 173.4° | 162.0° |
| CAU | CAT | CAR | H13 | 66.2° | 41.9° |
| CAU | CAT | CAR | H14 | 52.9° | 78.0° |
| CAU | CAT | CAS | H15 | 2.5° | 0.5° |
| CAT | CAU | H16 | H17 | 118.2° | 120.1° |
| CAT | CAU | CAV | H18 | 180.0° | 60.0° |
| CAT | CAU | CAV | H19 | 60.0° | 180.0° |
| CAT | CAU | CAV | H20 | 60.0° | 60.0° |
| CAC | NAQ | CAG | CAM | 180.0° | 179.6° |
| CAC | NAQ | CAG | CAH | 3.1° | 0.3° |
| NAQ | CAC | CAB | CAA | 178.9° | 179.9° |
| NAQ | CAC | CAB | CAI | 1.1° | 0.2° |
| NAQ | CAC | CAD | H2 | 0.8° | 0.4° |
| CAC | NAQ | CAN | H10 | 180.0° | 90.0° |
| CAC | NAQ | CAN | H11 | 60.0° | 150.0° |
| CAC | NAQ | CAN | H12 | 60.0° | 30.0° |
| CAG | NAQ | CAC | CAB | 2.5° | 0.1° |
| NAQ | CAG | CAM | CAH | 176.8° | 179.8° |
| NAQ | CAG | CAM | CAL | 166.8° | 162.0° |
| NAQ | CAG | CAH | CAI | 2.2° | 0.2° |
| NAQ | CAG | CAH | CAJ | 179.0° | 179.7° |
| NAQ | CAG | CAM | H8 | 72.7° | 77.8° |
| NAQ | CAG | CAM | H9 | 46.4° | 41.7° |
| CAG | NAQ | CAN | H10 | 2.4° | 90.0° |
| CAG | NAQ | CAN | H11 | 122.4° | 30.0° |
| CAG | NAQ | CAN | H12 | 117.6° | 150.0° |
| CAC | CAB | CAA | CAF | 0.4° | 0.3° |
| CAC | CAB | CAA | CAI | 180.0° | 179.9° |
| CAC | CAB | CAI | CAH | 0.4° | 0.2° |
| CAC | CAB | CAI | NAO | 179.7° | 179.8° |
| CAC | CAB | CAA | H1 | 179.6° | 180.0° |
| CAB | CAC | CAD | H2 | 179.6° | 179.7° |
| CAT | CAS | CAL | H15 | 180.0° | 179.7° |
| CAT | CAS | CAL | CAM | 94.3° | 103.1° |
| CAT | CAS | CAL | CAK | 25.3° | 16.3° |
| CAS | CAT | CAR | CAJ | 15.4° | 17.6° |
| CAT | CAS | CAL | H7 | 146.5° | 136.8° |
| CAS | CAT | CAR | H13 | 105.1° | 137.7° |
| CAS | CAT | CAR | H14 | 135.8° | 102.3° |
| CAS | CAT | CAU | H16 | 40.1° | 145.0° |
| CAS | CAT | CAU | H17 | 78.6° | 24.9° |
| CAL | CAS | CAT | CAR | 5.3° | 0.1° |
| CAS | CAL | CAM | CAG | 76.8° | 68.2° |
| CAS | CAL | CAM | CAK | 121.9° | 120.7° |
| CAS | CAL | CAM | H7 | 120.4° | 120.1° |
| CAS | CAL | CAK | H7 | 122.5° | 120.5° |
| CAS | CAL | CAK | CAJ | 56.2° | 49.2° |
| CAS | CAL | CAK | H5 | 176.0° | 70.3° |
| CAS | CAL | CAK | H6 | 63.7° | 168.7° |
| CAS | CAL | CAM | H8 | 162.7° | 171.6° |
| CAS | CAL | CAM | H9 | 43.6° | 52.1° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAF | CAA | CAB | CAI | 179.6° | 179.8° |
| CAT | CAR | CAJ | H13 | 120.5° | 120.1° |
| CAT | CAR | CAJ | H14 | 120.5° | 120.0° |
| CAT | CAR | CAJ | CAH | 76.1° | 69.6° |
| CAT | CAR | CAJ | CAK | 44.4° | 51.0° |
| CAT | CAR | CAJ | H4 | 163.0° | 170.5° |
| CAT | CAR | H13 | H14 | 118.5° | 119.9° |
| CAR | CAT | CAS | H15 | 174.7° | 179.8° |
| CAR | CAT | CAU | H16 | 147.7° | 35.2° |
| CAR | CAT | CAU | H17 | 93.6° | 155.4° |
| CAG | CAM | CAL | H8 | 120.5° | 120.2° |
| CAG | CAM | CAL | H9 | 120.5° | 120.3° |
| CAG | CAM | CAL | CAK | 45.1° | 52.5° |
| CAM | CAG | CAH | CAI | 178.9° | 179.7° |
| CAM | CAG | CAH | CAJ | 4.4° | 0.5° |
| CAG | CAM | CAL | H7 | 162.8° | 171.7° |
| CAG | CAM | H8 | H9 | 118.6° | 119.5° |
| CAL | CAM | CAG | CAH | 16.4° | 18.2° |
| CAM | CAL | CAK | H7 | 118.0° | 119.2° |
| CAM | CAL | CAK | CAJ | 63.4° | 71.1° |
| CAM | CAL | CAK | H5 | 56.4° | 169.4° |
| CAM | CAL | CAK | H6 | 176.7° | 48.4° |
| CAL | CAM | H8 | H9 | 118.6° | 119.6° |
| CAM | CAL | CAS | H15 | 85.7° | 77.2° |
| CAG | CAH | CAI | CAB | 0.9° | 0.1° |
| CAG | CAH | CAJ | CAR | 93.7° | 101.7° |
| CAG | CAH | CAI | CAJ | 176.8° | 179.9° |
| CAG | CAH | CAI | NAO | 179.2° | 180.0° |
| CAG | CAH | CAJ | CAK | 22.7° | 17.6° |
| CAG | CAH | CAJ | H4 | 146.8° | 138.4° |
| CAH | CAG | CAM | H8 | 104.1° | 102.0° |
| CAH | CAG | CAM | H9 | 136.8° | 138.5° |
| CAA | CAB | CAI | CAH | 179.6° | 179.8° |
| CAA | CAB | CAI | NAO | 0.3° | 0.1° |
| CAB | CAA | CAF | H3 | 179.4° | 179.9° |
| CAB | CAI | CAH | NAO | 179.9° | 179.9° |
| CAB | CAI | CAH | CAJ | 177.7° | 179.9° |
| CAI | CAB | CAA | H1 | 0.4° | 0.1° |
| CAB | CAI | NAO | H21 | 180.0° | 0.1° |
| CAB | CAI | NAO | H22 | 60.0° | 180.0° |
| CAL | CAK | CAJ | CAR | 64.6° | 68.4° |
| CAL | CAK | CAJ | CAH | 52.0° | 51.5° |
| CAL | CAK | CAJ | H5 | 119.9° | 119.5° |
| CAL | CAK | CAJ | H6 | 119.9° | 119.6° |
| CAL | CAK | CAJ | H4 | 177.1° | 172.2° |
| CAL | CAK | H5 | H6 | 120.4° | 121.0° |
| CAK | CAL | CAM | H8 | 75.4° | 67.7° |
| CAK | CAL | CAM | H9 | 165.5° | 172.8° |
| CAK | CAL | CAS | H15 | 154.8° | 163.4° |
| CAR | CAJ | CAH | CAI | 82.9° | 78.2° |
| CAR | CAJ | CAH | CAK | 116.4° | 119.3° |
| CAR | CAJ | CAH | H4 | 119.4° | 120.0° |
| CAR | CAJ | CAK | H4 | 118.3° | 119.4° |
| CAR | CAJ | CAK | H5 | 175.6° | 51.1° |
| CAR | CAJ | CAK | H6 | 55.3° | 172.0° |
| CAJ | CAR | H13 | H14 | 118.5° | 119.9° |
| CAI | CAH | CAJ | CAK | 160.6° | 162.5° |
| CAI | CAH | CAJ | H4 | 36.5° | 41.8° |
| CAH | CAI | NAO | H21 | 0.1° | 180.0° |
| CAH | CAI | NAO | H22 | 120.1° | 0.1° |
| CAJ | CAH | CAI | NAO | 2.4° | 0.1° |
| CAH | CAJ | CAK | H4 | 125.2° | 120.7° |
| CAH | CAJ | CAK | H5 | 67.9° | 171.0° |
| CAH | CAJ | CAK | H6 | 171.9° | 68.1° |
| CAH | CAJ | CAR | H13 | 163.5° | 50.5° |
| CAH | CAJ | CAR | H14 | 44.4° | 170.5° |
| CAI | NAO | H21 | H22 | 120.0° | 179.9° |
| CAJ | CAK | H5 | H6 | 120.4° | 120.8° |
| CAJ | CAK | CAL | H7 | 178.6° | 169.7° |
| CAK | CAJ | CAR | H13 | 76.1° | 171.1° |
| CAK | CAJ | CAR | H14 | 164.9° | 68.9° |
| H1 | CAA | CAF | H3 | 0.6° | 0.2° |
| H4 | CAJ | CAK | H5 | 57.3° | 68.3° |
| H4 | CAJ | CAK | H6 | 63.0° | 52.6° |
| H4 | CAJ | CAR | H13 | 42.6° | 69.4° |
| H4 | CAJ | CAR | H14 | 76.5° | 50.5° |
| H5 | CAK | CAL | H7 | 61.5° | 50.2° |
| H6 | CAK | CAL | H7 | 58.7° | 70.8° |
| H7 | CAL | CAM | H8 | 42.3° | 51.5° |
| H7 | CAL | CAM | H9 | 76.7° | 68.0° |
| H7 | CAL | CAS | H15 | 33.5° | 42.9° |
| H10 | CAN | H11 | H12 | 120.0° | 119.9° |
| H16 | CAU | CAV | H18 | 59.4° | 59.9° |
| H16 | CAU | CAV | H19 | 60.7° | 60.0° |
| H16 | CAU | CAV | H20 | 179.4° | 179.9° |
| H17 | CAU | CAV | H18 | 59.4° | 180.0° |
| H17 | CAU | CAV | H19 | 179.4° | 60.0° |
| H17 | CAU | CAV | H20 | 60.6° | 60.0° |
| H18 | CAV | H19 | H20 | 120.0° | 120.1° |
