9EF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAX | sing | 1.53Å | 1.56Å | |
| OAR | CAN | sing | 1.43Å | 1.42Å | |
| OAR | PAW | sing | 1.61Å | 1.64Å | |
| CAN | CAX | sing | 1.53Å | 1.57Å | |
| OAG | PAW | doub | 1.48Å | 1.44Å | |
| CAX | CAC | sing | 1.53Å | 1.54Å | |
| CAX | CAV | sing | 1.53Å | 1.53Å | |
| PAW | OAH | sing | 1.61Å | 1.46Å | |
| CAA | CAS | sing | 1.51Å | 1.49Å | |
| CAV | CAU | sing | 1.51Å | 1.56Å | |
| CAV | OAI | sing | 1.43Å | 1.46Å | |
| OAF | CAU | doub | 1.21Å | 1.24Å | |
| CAS | OAD | doub | 1.21Å | 1.22Å | |
| CAS | NAO | sing | 1.35Å | 1.34Å | |
| CAU | NAQ | sing | 1.35Å | 1.39Å | |
| NAO | CAJ | sing | 1.47Å | 1.46Å | |
| NAQ | CAL | sing | 1.46Å | 1.44Å | |
| CAM | CAL | sing | 1.53Å | 1.61Å | |
| CAM | CAT | sing | 1.51Å | 1.53Å | |
| NAP | CAT | sing | 1.35Å | 1.36Å | |
| NAP | CAK | sing | 1.46Å | 1.43Å | |
| CAJ | CAK | sing | 1.53Å | 1.59Å | |
| CAT | OAE | doub | 1.21Å | 1.21Å | |
| PAW | O1 | sing | 1.61Å | 1.90Å | |
| OAH | H1 | sing | 0.97Å | 0.95Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAV | H10 | sing | 1.09Å | 1.10Å | |
| OAI | H11 | sing | 0.97Å | 0.95Å | |
| NAQ | H12 | sing | 0.97Å | 1.00Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| NAP | H17 | sing | 0.97Å | 1.00Å | |
| CAK | H18 | sing | 1.09Å | 1.10Å | |
| CAK | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.09Å | 1.10Å | |
| CAJ | H21 | sing | 1.09Å | 1.10Å | |
| NAO | H22 | sing | 0.97Å | 1.00Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å | |
| CAA | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAX | CAN | 112.6° | 109.5° |
| CAB | CAX | CAC | 112.8° | 109.5° |
| CAB | CAX | CAV | 105.9° | 109.5° |
| CAX | CAB | H4 | 109.5° | 109.5° |
| CAX | CAB | H5 | 109.5° | 109.4° |
| CAX | CAB | H6 | 109.5° | 109.5° |
| CAN | OAR | PAW | 118.2° | 123.0° |
| OAR | CAN | CAX | 116.0° | 109.5° |
| OAR | CAN | H2 | 107.8° | 109.5° |
| OAR | CAN | H3 | 107.8° | 109.4° |
| OAR | PAW | OAG | 108.8° | 109.4° |
| OAR | PAW | OAH | 124.8° | 109.5° |
| OAR | PAW | O1 | 84.9° | 109.5° |
| CAN | CAX | CAC | 104.4° | 109.4° |
| CAN | CAX | CAV | 108.8° | 109.5° |
| CAX | CAN | H2 | 107.8° | 109.5° |
| CAX | CAN | H3 | 107.8° | 109.5° |
| OAG | PAW | OAH | 125.1° | 109.5° |
| OAG | PAW | O1 | 100.2° | 109.5° |
| CAC | CAX | CAV | 112.5° | 109.5° |
| CAX | CAC | H7 | 109.5° | 109.4° |
| CAX | CAC | H8 | 109.5° | 109.4° |
| CAX | CAC | H9 | 109.5° | 109.5° |
| CAX | CAV | CAU | 112.0° | 109.5° |
| CAX | CAV | OAI | 107.7° | 109.5° |
| CAX | CAV | H10 | 107.9° | 109.5° |
| OAH | PAW | O1 | 95.3° | 109.5° |
| PAW | OAH | H1 | 109.5° | 114.0° |
| CAA | CAS | OAD | 124.2° | 120.0° |
| CAA | CAS | NAO | 109.0° | 120.0° |
| CAS | CAA | H23 | 109.5° | 109.5° |
| CAS | CAA | H24 | 109.5° | 109.4° |
| CAS | CAA | H25 | 109.5° | 109.5° |
| CAU | CAV | OAI | 112.6° | 109.5° |
| CAV | CAU | OAF | 120.9° | 120.0° |
| CAV | CAU | NAQ | 113.8° | 120.0° |
| CAU | CAV | H10 | 107.6° | 109.5° |
| OAI | CAV | H10 | 108.9° | 109.4° |
| CAV | OAI | H11 | 109.5° | 114.0° |
| OAF | CAU | NAQ | 125.2° | 120.0° |
| OAD | CAS | NAO | 126.6° | 120.0° |
| CAS | NAO | CAJ | 124.4° | 120.0° |
| CAS | NAO | H22 | 117.8° | 120.0° |
| CAU | NAQ | CAL | 122.9° | 120.0° |
| CAU | NAQ | H12 | 118.5° | 120.0° |
| NAO | CAJ | CAK | 107.0° | 109.5° |
| NAO | CAJ | H20 | 110.1° | 109.4° |
| NAO | CAJ | H21 | 110.1° | 109.4° |
| CAJ | NAO | H22 | 117.8° | 120.0° |
| NAQ | CAL | CAM | 109.8° | 109.5° |
| CAL | NAQ | H12 | 118.5° | 120.0° |
| NAQ | CAL | H13 | 109.4° | 109.5° |
| NAQ | CAL | H14 | 109.4° | 109.4° |
| CAL | CAM | CAT | 108.9° | 109.5° |
| CAM | CAL | H13 | 109.4° | 109.5° |
| CAM | CAL | H14 | 109.4° | 109.4° |
| CAL | CAM | H15 | 109.6° | 109.5° |
| CAL | CAM | H16 | 109.6° | 109.4° |
| CAM | CAT | NAP | 118.8° | 120.0° |
| CAM | CAT | OAE | 119.0° | 120.0° |
| CAT | CAM | H15 | 109.6° | 109.5° |
| CAT | CAM | H16 | 109.6° | 109.5° |
| CAT | NAP | CAK | 125.8° | 120.0° |
| NAP | CAT | OAE | 122.0° | 120.0° |
| CAT | NAP | H17 | 117.1° | 120.0° |
| NAP | CAK | CAJ | 112.1° | 109.5° |
| CAK | NAP | H17 | 117.1° | 120.0° |
| NAP | CAK | H18 | 108.8° | 109.5° |
| NAP | CAK | H19 | 108.8° | 109.5° |
| CAJ | CAK | H18 | 108.8° | 109.4° |
| CAJ | CAK | H19 | 108.8° | 109.5° |
| CAK | CAJ | H20 | 110.1° | 109.5° |
| CAK | CAJ | H21 | 110.1° | 109.5° |
| PAW | O1 | H26 | 109.5° | 114.0° |
| H2 | CAN | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.4° | 109.5° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.5° | 109.5° |
| H15 | CAM | H16 | 109.4° | 109.5° |
| H18 | CAK | H19 | 109.5° | 109.5° |
| H20 | CAJ | H21 | 109.5° | 109.5° |
| H23 | CAA | H24 | 109.5° | 109.5° |
| H23 | CAA | H25 | 109.4° | 109.5° |
| H24 | CAA | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAX | CAN | OAR | 62.0° | 60.0° |
| CAB | CAX | CAN | CAC | 122.7° | 120.0° |
| CAB | CAX | CAN | CAV | 117.0° | 120.0° |
| CAB | CAX | CAC | CAV | 119.7° | 120.0° |
| CAB | CAX | CAV | CAU | 67.3° | 65.6° |
| CAB | CAX | CAV | OAI | 168.4° | 174.3° |
| CAB | CAX | CAN | H2 | 177.1° | 180.0° |
| CAB | CAX | CAN | H3 | 58.9° | 60.0° |
| CAX | CAB | H4 | H5 | 120.0° | 119.9° |
| CAX | CAB | H4 | H6 | 120.0° | 120.1° |
| CAX | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAX | CAC | H7 | 180.0° | 173.2° |
| CAB | CAX | CAC | H8 | 60.0° | 66.8° |
| CAB | CAX | CAC | H9 | 60.0° | 53.2° |
| CAB | CAX | CAV | H10 | 51.0° | 54.4° |
| OAR | CAN | CAX | H2 | 120.9° | 120.1° |
| OAR | CAN | CAX | H3 | 120.9° | 120.0° |
| CAN | OAR | PAW | OAG | 175.8° | 55.0° |
| OAR | CAN | CAX | CAC | 175.3° | 60.0° |
| OAR | CAN | CAX | CAV | 55.0° | 180.0° |
| CAN | OAR | PAW | OAH | 7.9° | 65.0° |
| CAN | OAR | PAW | O1 | 85.1° | 175.0° |
| OAR | CAN | H2 | H3 | 117.0° | 120.0° |
| PAW | OAR | CAN | CAX | 108.2° | 180.0° |
| OAR | PAW | OAG | OAH | 167.9° | 120.0° |
| OAR | PAW | OAG | O1 | 88.1° | 120.0° |
| OAR | PAW | OAH | O1 | 87.5° | 120.1° |
| OAR | PAW | OAH | H1 | 166.0° | 60.0° |
| PAW | OAR | CAN | H2 | 12.8° | 59.9° |
| PAW | OAR | CAN | H3 | 130.9° | 60.0° |
| OAR | PAW | O1 | H26 | 108.2° | 180.0° |
| CAN | CAX | CAC | CAV | 117.8° | 120.0° |
| CAN | CAX | CAV | CAU | 171.5° | 54.4° |
| CAN | CAX | CAV | OAI | 47.2° | 65.7° |
| CAX | CAN | H2 | H3 | 117.0° | 120.0° |
| CAN | CAX | CAB | H4 | 180.0° | 65.3° |
| CAN | CAX | CAB | H5 | 60.0° | 174.8° |
| CAN | CAX | CAB | H6 | 60.0° | 54.7° |
| CAN | CAX | CAC | H7 | 57.5° | 53.3° |
| CAN | CAX | CAC | H8 | 62.5° | 173.2° |
| CAN | CAX | CAC | H9 | 177.5° | 66.7° |
| CAN | CAX | CAV | H10 | 70.2° | 174.4° |
| OAG | PAW | OAH | O1 | 106.5° | 120.0° |
| OAG | PAW | OAH | H1 | 0.0° | 180.0° |
| OAG | PAW | O1 | H26 | 0.0° | 60.0° |
| CAC | CAX | CAV | CAU | 56.3° | 174.4° |
| CAC | CAX | CAV | OAI | 67.9° | 54.3° |
| CAC | CAX | CAN | H2 | 54.4° | 60.1° |
| CAC | CAX | CAN | H3 | 63.7° | 179.9° |
| CAC | CAX | CAB | H4 | 62.2° | 54.6° |
| CAC | CAX | CAB | H5 | 57.8° | 65.3° |
| CAC | CAX | CAB | H6 | 177.8° | 174.7° |
| CAX | CAC | H7 | H8 | 120.0° | 119.9° |
| CAX | CAC | H7 | H9 | 120.0° | 120.0° |
| CAX | CAC | H8 | H9 | 120.0° | 120.1° |
| CAC | CAX | CAV | H10 | 174.7° | 65.6° |
| CAX | CAV | CAU | OAI | 121.5° | 120.0° |
| CAX | CAV | CAU | H10 | 118.5° | 120.0° |
| CAX | CAV | OAI | H10 | 116.8° | 120.0° |
| CAX | CAV | CAU | OAF | 77.4° | 109.2° |
| CAX | CAV | CAU | NAQ | 105.5° | 70.7° |
| CAV | CAX | CAN | H2 | 65.9° | 60.0° |
| CAV | CAX | CAN | H3 | 176.0° | 60.0° |
| CAV | CAX | CAB | H4 | 61.3° | 174.7° |
| CAV | CAX | CAB | H5 | 178.7° | 54.7° |
| CAV | CAX | CAB | H6 | 58.7° | 65.3° |
| CAV | CAX | CAC | H7 | 60.3° | 66.7° |
| CAV | CAX | CAC | H8 | 179.7° | 53.2° |
| CAV | CAX | CAC | H9 | 59.7° | 173.3° |
| CAX | CAV | OAI | H11 | 180.0° | 60.0° |
| OAH | PAW | O1 | H26 | 127.2° | 60.0° |
| CAA | CAS | OAD | NAO | 175.2° | 180.0° |
| CAA | CAS | NAO | CAJ | 170.2° | 180.0° |
| CAA | CAS | NAO | H22 | 9.8° | 0.1° |
| CAS | CAA | H23 | H24 | 120.0° | 119.9° |
| CAS | CAA | H23 | H25 | 120.0° | 120.0° |
| CAS | CAA | H24 | H25 | 120.0° | 120.0° |
| CAU | CAV | OAI | H10 | 119.3° | 120.0° |
| CAV | CAU | OAF | NAQ | 176.8° | 179.9° |
| CAV | CAU | NAQ | CAL | 177.3° | 175.2° |
| CAU | CAV | OAI | H11 | 56.1° | 60.0° |
| CAV | CAU | NAQ | H12 | 2.7° | 4.8° |
| OAI | CAV | CAU | OAF | 161.1° | 10.8° |
| OAI | CAV | CAU | NAQ | 16.1° | 169.2° |
| OAF | CAU | NAQ | CAL | 5.7° | 4.7° |
| OAF | CAU | CAV | H10 | 41.1° | 130.8° |
| OAF | CAU | NAQ | H12 | 174.3° | 175.2° |
| OAD | CAS | NAO | CAJ | 13.9° | 0.0° |
| OAD | CAS | NAO | H22 | 166.0° | 179.9° |
| OAD | CAS | CAA | H23 | 0.0° | 90.0° |
| OAD | CAS | CAA | H24 | 120.0° | 150.0° |
| OAD | CAS | CAA | H25 | 120.0° | 30.0° |
| CAS | NAO | CAJ | H22 | 180.0° | 179.9° |
| CAS | NAO | CAJ | CAK | 73.4° | 180.0° |
| CAS | NAO | CAJ | H20 | 167.0° | 60.0° |
| CAS | NAO | CAJ | H21 | 46.2° | 60.0° |
| NAO | CAS | CAA | H23 | 176.0° | 90.0° |
| NAO | CAS | CAA | H24 | 55.9° | 30.0° |
| NAO | CAS | CAA | H25 | 64.1° | 150.0° |
| CAU | NAQ | CAL | H12 | 180.0° | 179.9° |
| CAU | NAQ | CAL | CAM | 102.7° | 180.0° |
| NAQ | CAU | CAV | H10 | 136.0° | 49.3° |
| CAU | NAQ | CAL | H13 | 17.3° | 60.0° |
| CAU | NAQ | CAL | H14 | 137.3° | 60.1° |
| NAO | CAJ | CAK | NAP | 59.6° | 180.0° |
| NAO | CAJ | CAK | H20 | 119.6° | 120.0° |
| NAO | CAJ | CAK | H21 | 119.6° | 120.0° |
| NAO | CAJ | CAK | H18 | 60.7° | 60.0° |
| NAO | CAJ | CAK | H19 | 180.0° | 60.0° |
| NAO | CAJ | H20 | H21 | 121.2° | 120.0° |
| NAQ | CAL | CAM | H13 | 120.0° | 120.1° |
| NAQ | CAL | CAM | H14 | 120.0° | 120.0° |
| NAQ | CAL | CAM | CAT | 171.5° | 180.0° |
| NAQ | CAL | H13 | H14 | 119.9° | 120.0° |
| NAQ | CAL | CAM | H15 | 68.6° | 60.0° |
| NAQ | CAL | CAM | H16 | 51.6° | 60.0° |
| CAL | CAM | CAT | H15 | 119.9° | 120.1° |
| CAL | CAM | CAT | H16 | 119.9° | 120.0° |
| CAL | CAM | CAT | NAP | 71.6° | 180.0° |
| CAL | CAM | CAT | OAE | 103.4° | 0.0° |
| CAM | CAL | NAQ | H12 | 77.3° | 0.1° |
| CAM | CAL | H13 | H14 | 119.8° | 120.0° |
| CAL | CAM | H15 | H16 | 120.3° | 120.0° |
| CAM | CAT | NAP | OAE | 174.8° | 180.0° |
| CAM | CAT | NAP | CAK | 177.4° | 180.0° |
| CAT | CAM | CAL | H13 | 51.5° | 60.0° |
| CAT | CAM | CAL | H14 | 68.4° | 60.0° |
| CAT | CAM | H15 | H16 | 120.3° | 120.0° |
| CAM | CAT | NAP | H17 | 2.7° | 0.0° |
| CAT | NAP | CAK | H17 | 180.0° | 180.0° |
| CAT | NAP | CAK | CAJ | 86.1° | 180.0° |
| NAP | CAT | CAM | H15 | 168.5° | 60.0° |
| NAP | CAT | CAM | H16 | 48.3° | 60.0° |
| CAT | NAP | CAK | H18 | 153.5° | 60.1° |
| CAT | NAP | CAK | H19 | 34.3° | 60.0° |
| NAP | CAK | CAJ | H18 | 120.4° | 120.0° |
| NAP | CAK | CAJ | H19 | 120.4° | 120.0° |
| CAK | NAP | CAT | OAE | 2.5° | 0.0° |
| NAP | CAK | H18 | H19 | 118.8° | 120.0° |
| NAP | CAK | CAJ | H20 | 59.9° | 60.0° |
| NAP | CAK | CAJ | H21 | 179.3° | 60.0° |
| CAJ | CAK | NAP | H17 | 93.8° | 0.0° |
| CAJ | CAK | H18 | H19 | 118.8° | 120.0° |
| CAK | CAJ | H20 | H21 | 121.2° | 120.0° |
| CAK | CAJ | NAO | H22 | 106.6° | 0.1° |
| OAE | CAT | CAM | H15 | 16.5° | 120.0° |
| OAE | CAT | CAM | H16 | 136.7° | 120.0° |
| OAE | CAT | NAP | H17 | 177.5° | 180.0° |
| O1 | PAW | OAH | H1 | 106.5° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 119.9° | 120.0° |
| H10 | CAV | OAI | H11 | 63.2° | 180.0° |
| H12 | NAQ | CAL | H13 | 162.6° | 120.0° |
| H12 | NAQ | CAL | H14 | 42.7° | 120.0° |
| H13 | CAL | CAM | H15 | 171.4° | 180.0° |
| H13 | CAL | CAM | H16 | 68.5° | 60.0° |
| H14 | CAL | CAM | H15 | 51.5° | 60.0° |
| H14 | CAL | CAM | H16 | 171.6° | 180.0° |
| H17 | NAP | CAK | H18 | 26.6° | 120.0° |
| H17 | NAP | CAK | H19 | 145.8° | 120.0° |
| H18 | CAK | CAJ | H20 | 179.7° | 180.0° |
| H18 | CAK | CAJ | H21 | 58.9° | 60.0° |
| H19 | CAK | CAJ | H20 | 60.4° | 60.0° |
| H19 | CAK | CAJ | H21 | 60.3° | 180.0° |
| H20 | CAJ | NAO | H22 | 13.0° | 120.1° |
| H21 | CAJ | NAO | H22 | 133.8° | 119.9° |
| H23 | CAA | H24 | H25 | 119.9° | 120.1° |
