E9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| OAP | CAN | doub | 1.21Å | 1.24Å | |
| CAV | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAR | sing | 1.51Å | 1.41Å | |
| CAN | CAM | sing | 1.51Å | 1.52Å | |
| CAN | OAO | sing | 1.34Å | 1.25Å | |
| CAM | SAQ | sing | 1.81Å | 1.79Å | |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAR | SAQ | sing | 1.81Å | 1.85Å | |
| CAK | CAJ | sing | 1.51Å | 1.53Å | |
| OAL | CAJ | sing | 1.34Å | 1.23Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| OAO | H4 | sing | 0.97Å | 0.95Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAV | H7 | sing | 1.08Å | 1.08Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAX | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | O1 | doub | 1.21Å | 1.34Å | |
| OAL | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAT | CAU | 119.3° | 120.0° |
| CAT | CAS | CAX | 121.4° | 120.0° |
| CAS | CAT | H9 | 120.3° | 120.0° |
| CAT | CAS | H10 | 119.3° | 119.9° |
| CAT | CAU | CAV | 119.4° | 120.0° |
| CAT | CAU | H8 | 120.3° | 120.0° |
| CAU | CAT | H9 | 120.4° | 120.0° |
| CAS | CAX | CAW | 119.6° | 120.0° |
| CAX | CAS | H10 | 119.3° | 120.0° |
| CAS | CAX | H11 | 120.2° | 120.0° |
| CAU | CAV | CAW | 121.6° | 120.0° |
| CAU | CAV | H7 | 119.2° | 120.0° |
| CAV | CAU | H8 | 120.3° | 120.0° |
| CAX | CAW | CAV | 118.8° | 120.0° |
| CAX | CAW | CAR | 119.4° | 120.0° |
| CAW | CAX | H11 | 120.2° | 120.0° |
| OAP | CAN | CAM | 116.9° | 120.0° |
| OAP | CAN | OAO | 126.0° | 120.0° |
| CAV | CAW | CAR | 121.8° | 120.0° |
| CAW | CAV | H7 | 119.2° | 120.0° |
| CAW | CAR | SAQ | 115.5° | 109.5° |
| CAW | CAR | H5 | 107.9° | 109.4° |
| CAW | CAR | H6 | 108.0° | 109.5° |
| CAM | CAN | OAO | 117.0° | 120.0° |
| CAN | CAM | SAQ | 108.3° | 109.5° |
| CAN | CAM | CAK | 108.8° | 109.5° |
| CAN | CAM | H3 | 111.0° | 109.5° |
| CAN | OAO | H4 | 109.5° | 117.0° |
| SAQ | CAM | CAK | 110.1° | 109.5° |
| CAM | SAQ | CAR | 104.6° | 103.0° |
| SAQ | CAM | H3 | 107.7° | 109.5° |
| CAM | CAK | CAJ | 107.6° | 109.5° |
| CAM | CAK | H2 | 109.9° | 109.5° |
| CAK | CAM | H3 | 110.9° | 109.4° |
| CAM | CAK | H12 | 109.9° | 109.5° |
| SAQ | CAR | H5 | 108.0° | 109.5° |
| SAQ | CAR | H6 | 107.9° | 109.5° |
| CAK | CAJ | OAL | 121.2° | 120.0° |
| CAJ | CAK | H2 | 109.9° | 109.5° |
| CAK | CAJ | O1 | 115.7° | 120.0° |
| CAJ | CAK | H12 | 109.9° | 109.5° |
| OAL | CAJ | O1 | 123.1° | 120.0° |
| CAJ | OAL | H1 | 109.5° | 116.9° |
| H2 | CAK | H12 | 109.4° | 109.5° |
| H5 | CAR | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAT | CAU | H9 | 180.0° | 179.8° |
| CAT | CAS | CAX | H10 | 180.0° | 179.8° |
| CAS | CAT | CAU | CAV | 0.3° | 0.1° |
| CAT | CAS | CAX | CAW | 0.2° | 0.5° |
| CAS | CAT | CAU | H8 | 179.7° | 180.0° |
| CAT | CAS | CAX | H11 | 179.8° | 180.0° |
| CAU | CAT | CAS | CAX | 0.2° | 0.2° |
| CAT | CAU | CAV | H8 | 180.0° | 179.9° |
| CAT | CAU | CAV | CAW | 0.4° | 0.0° |
| CAT | CAU | CAV | H7 | 179.6° | 180.0° |
| CAU | CAT | CAS | H10 | 179.8° | 180.0° |
| CAS | CAX | CAW | H11 | 180.0° | 179.4° |
| CAS | CAX | CAW | CAV | 0.3° | 0.6° |
| CAS | CAX | CAW | CAR | 180.0° | 179.7° |
| CAX | CAS | CAT | H9 | 179.8° | 180.0° |
| CAU | CAV | CAW | CAX | 0.4° | 0.3° |
| CAU | CAV | CAW | H7 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAR | 179.9° | 180.0° |
| CAV | CAU | CAT | H9 | 179.7° | 179.7° |
| CAX | CAW | CAV | CAR | 179.7° | 179.7° |
| CAX | CAW | CAR | SAQ | 136.8° | 90.3° |
| CAX | CAW | CAR | H5 | 102.4° | 149.7° |
| CAX | CAW | CAR | H6 | 15.9° | 29.8° |
| CAX | CAW | CAV | H7 | 179.6° | 179.7° |
| CAW | CAX | CAS | H10 | 179.8° | 179.7° |
| OAP | CAN | CAM | OAO | 178.6° | 179.9° |
| OAP | CAN | CAM | SAQ | 84.1° | 110.0° |
| OAP | CAN | CAM | CAK | 156.2° | 130.0° |
| OAP | CAN | CAM | H3 | 33.9° | 10.0° |
| OAP | CAN | OAO | H4 | 0.0° | 0.0° |
| CAV | CAW | CAR | SAQ | 43.5° | 90.0° |
| CAV | CAW | CAR | H5 | 77.4° | 30.0° |
| CAV | CAW | CAR | H6 | 164.4° | 150.0° |
| CAW | CAV | CAU | H8 | 179.6° | 180.0° |
| CAV | CAW | CAX | H11 | 179.7° | 180.0° |
| CAW | CAR | SAQ | CAM | 101.3° | 180.0° |
| CAW | CAR | SAQ | H5 | 120.9° | 120.0° |
| CAW | CAR | SAQ | H6 | 120.9° | 120.0° |
| CAW | CAR | H5 | H6 | 117.3° | 120.0° |
| CAR | CAW | CAV | H7 | 0.1° | 0.0° |
| CAR | CAW | CAX | H11 | 0.0° | 0.3° |
| CAN | CAM | SAQ | CAK | 118.9° | 120.0° |
| CAN | CAM | SAQ | H3 | 120.1° | 120.0° |
| CAN | CAM | CAK | H3 | 122.3° | 120.0° |
| CAN | CAM | SAQ | CAR | 161.0° | 65.0° |
| CAN | CAM | CAK | CAJ | 116.0° | 175.0° |
| CAN | CAM | CAK | H2 | 124.3° | 65.0° |
| CAM | CAN | OAO | H4 | 178.4° | 180.0° |
| CAN | CAM | CAK | H12 | 3.8° | 54.9° |
| OAO | CAN | CAM | SAQ | 94.4° | 70.0° |
| OAO | CAN | CAM | CAK | 25.3° | 50.1° |
| OAO | CAN | CAM | H3 | 147.6° | 170.0° |
| SAQ | CAM | CAK | H3 | 119.1° | 120.0° |
| SAQ | CAM | CAK | CAJ | 2.6° | 65.0° |
| SAQ | CAM | CAK | H2 | 117.1° | 55.0° |
| CAM | SAQ | CAR | H5 | 137.9° | 60.0° |
| CAM | SAQ | CAR | H6 | 19.6° | 60.0° |
| SAQ | CAM | CAK | H12 | 122.3° | 175.0° |
| CAK | CAM | SAQ | CAR | 80.2° | 175.0° |
| CAM | CAK | CAJ | H2 | 119.7° | 120.0° |
| CAM | CAK | CAJ | H12 | 119.7° | 120.0° |
| CAM | CAK | CAJ | OAL | 4.9° | 179.7° |
| CAM | CAK | H2 | H12 | 120.9° | 120.0° |
| CAM | CAK | CAJ | O1 | 175.3° | 0.0° |
| CAR | SAQ | CAM | H3 | 40.9° | 55.0° |
| SAQ | CAR | H5 | H6 | 117.3° | 120.0° |
| CAK | CAJ | OAL | O1 | 179.8° | 179.7° |
| CAJ | CAK | H2 | H12 | 120.8° | 120.0° |
| CAJ | CAK | CAM | H3 | 121.7° | 55.0° |
| CAK | CAJ | OAL | H1 | 179.8° | 179.7° |
| OAL | CAJ | CAK | H2 | 114.8° | 60.3° |
| OAL | CAJ | CAK | H12 | 124.6° | 59.7° |
| H2 | CAK | CAM | H3 | 2.0° | 175.0° |
| H2 | CAK | CAJ | O1 | 65.0° | 120.0° |
| H3 | CAM | CAK | H12 | 118.5° | 65.0° |
| H7 | CAV | CAU | H8 | 0.4° | 0.1° |
| H8 | CAU | CAT | H9 | 0.3° | 0.2° |
| H9 | CAT | CAS | H10 | 0.2° | 0.2° |
| H10 | CAS | CAX | H11 | 0.2° | 0.2° |
| O1 | CAJ | OAL | H1 | 0.0° | 0.0° |
| O1 | CAJ | CAK | H12 | 55.6° | 120.0° |
