5XM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | CAT | sing | 1.53Å | 1.51Å | |
| CAS | CAR | sing | 1.53Å | 1.51Å | |
| CAT | CAU | sing | 1.53Å | 1.54Å | |
| CAR | CAQ | sing | 1.53Å | 1.52Å | |
| CAU | NAP | sing | 1.47Å | 1.48Å | |
| CAQ | NAP | sing | 1.47Å | 1.48Å | |
| NAP | CAO | sing | 1.47Å | 1.34Å | |
| CAO | CAN | sing | 1.53Å | 1.35Å | |
| CAM | CAL | sing | 1.54Å | 1.48Å | |
| CAM | CAN | sing | 1.54Å | 1.37Å | |
| CAL | NAG | sing | 1.47Å | 1.47Å | |
| CAN | CAH | sing | 1.52Å | 1.34Å | |
| CAH | NAG | sing | 1.35Å | 1.36Å | |
| CAH | NAI | doub | 1.31Å | 1.39Å | |
| NAG | CAD | sing | 1.39Å | 1.32Å | |
| CAC | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| NAI | CAJ | sing | 1.34Å | 1.40Å | |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAJ | sing | 1.47Å | 1.39Å | |
| CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | OAK | doub | 1.22Å | 1.23Å | |
| CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAT | H7 | sing | 1.09Å | 1.10Å | |
| CAT | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.09Å | 1.10Å | |
| CAL | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.08Å | 1.08Å | |
| CAB | H20 | sing | 1.08Å | 1.08Å | |
| CAA | H21 | sing | 1.08Å | 1.08Å | |
| CAF | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAS | CAR | 107.0° | 109.2° |
| CAS | CAT | CAU | 110.0° | 109.3° |
| CAT | CAS | H5 | 110.1° | 109.5° |
| CAT | CAS | H6 | 110.1° | 109.5° |
| CAS | CAT | H7 | 109.4° | 109.5° |
| CAS | CAT | H8 | 109.4° | 109.5° |
| CAS | CAR | CAQ | 109.7° | 109.3° |
| CAS | CAR | H3 | 109.4° | 109.5° |
| CAS | CAR | H4 | 109.4° | 109.5° |
| CAR | CAS | H5 | 110.1° | 109.5° |
| CAR | CAS | H6 | 110.1° | 109.5° |
| CAT | CAU | NAP | 111.8° | 109.5° |
| CAU | CAT | H7 | 109.3° | 109.5° |
| CAU | CAT | H8 | 109.3° | 109.5° |
| CAT | CAU | H9 | 108.9° | 109.5° |
| CAT | CAU | H10 | 108.9° | 109.5° |
| CAR | CAQ | NAP | 112.7° | 109.5° |
| CAR | CAQ | H1 | 108.7° | 109.5° |
| CAR | CAQ | H2 | 108.6° | 109.4° |
| CAQ | CAR | H3 | 109.4° | 109.5° |
| CAQ | CAR | H4 | 109.4° | 109.6° |
| CAU | NAP | CAQ | 108.8° | 111.2° |
| CAU | NAP | CAO | 110.5° | 111.0° |
| NAP | CAU | H9 | 108.9° | 109.4° |
| NAP | CAU | H10 | 108.9° | 109.5° |
| CAQ | NAP | CAO | 112.8° | 111.0° |
| NAP | CAQ | H1 | 108.7° | 109.5° |
| NAP | CAQ | H2 | 108.7° | 109.5° |
| NAP | CAO | CAN | 124.6° | 109.4° |
| NAP | CAO | H12 | 105.6° | 109.4° |
| NAP | CAO | H13 | 105.5° | 109.5° |
| CAO | CAN | CAM | 131.6° | 110.4° |
| CAO | CAN | CAH | 121.9° | 110.5° |
| CAN | CAO | H12 | 105.5° | 109.5° |
| CAN | CAO | H13 | 105.5° | 109.4° |
| CAO | CAN | H14 | 99.9° | 110.4° |
| CAL | CAM | CAN | 95.6° | 101.6° |
| CAM | CAL | NAG | 92.5° | 105.6° |
| CAL | CAM | H15 | 112.8° | 111.0° |
| CAL | CAM | H16 | 112.8° | 111.0° |
| CAM | CAL | H17 | 113.5° | 110.2° |
| CAM | CAL | H18 | 113.5° | 110.2° |
| CAM | CAN | CAH | 97.4° | 104.4° |
| CAM | CAN | H14 | 99.7° | 110.6° |
| CAN | CAM | H15 | 112.8° | 111.0° |
| CAN | CAM | H16 | 112.8° | 111.0° |
| CAL | NAG | CAH | 102.8° | 111.1° |
| CAL | NAG | CAD | 132.1° | 128.6° |
| NAG | CAL | H17 | 113.5° | 110.2° |
| NAG | CAL | H18 | 113.5° | 110.2° |
| CAN | CAH | NAG | 108.6° | 109.7° |
| CAN | CAH | NAI | 133.4° | 127.8° |
| CAH | CAN | H14 | 100.0° | 110.5° |
| NAG | CAH | NAI | 117.7° | 122.5° |
| CAH | NAG | CAD | 124.9° | 120.3° |
| CAH | NAI | CAJ | 119.5° | 122.7° |
| NAG | CAD | CAC | 122.1° | 121.4° |
| NAG | CAD | CAE | 118.5° | 119.0° |
| CAD | CAC | CAB | 120.5° | 119.6° |
| CAC | CAD | CAE | 119.3° | 119.6° |
| CAD | CAC | H19 | 119.8° | 120.2° |
| CAC | CAB | CAA | 119.1° | 120.7° |
| CAB | CAC | H19 | 119.8° | 120.2° |
| CAC | CAB | H20 | 120.5° | 119.6° |
| CAD | CAE | CAJ | 119.6° | 117.7° |
| CAD | CAE | CAF | 120.5° | 120.2° |
| NAI | CAJ | CAE | 119.6° | 117.9° |
| NAI | CAJ | OAK | 119.5° | 121.0° |
| CAB | CAA | CAF | 120.8° | 120.4° |
| CAA | CAB | H20 | 120.4° | 119.6° |
| CAB | CAA | H21 | 119.6° | 119.7° |
| CAJ | CAE | CAF | 119.9° | 122.2° |
| CAE | CAJ | OAK | 120.9° | 121.1° |
| CAE | CAF | CAA | 119.8° | 119.4° |
| CAE | CAF | H22 | 120.1° | 120.3° |
| CAF | CAA | H21 | 119.6° | 119.8° |
| CAA | CAF | H22 | 120.1° | 120.3° |
| H1 | CAQ | H2 | 109.4° | 109.5° |
| H3 | CAR | H4 | 109.5° | 109.5° |
| H5 | CAS | H6 | 109.5° | 109.6° |
| H7 | CAT | H8 | 109.5° | 109.6° |
| H9 | CAU | H10 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H15 | CAM | H16 | 109.5° | 110.9° |
| H17 | CAL | H18 | 109.4° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAS | CAR | H5 | 119.6° | 119.9° |
| CAT | CAS | CAR | H6 | 119.6° | 119.9° |
| CAS | CAT | CAU | H7 | 120.1° | 119.9° |
| CAS | CAT | CAU | H8 | 120.1° | 119.9° |
| CAT | CAS | CAR | CAQ | 59.8° | 57.7° |
| CAS | CAT | CAU | NAP | 59.9° | 59.2° |
| CAT | CAS | CAR | H3 | 60.3° | 177.6° |
| CAT | CAS | CAR | H4 | 179.8° | 62.4° |
| CAT | CAS | H5 | H6 | 121.2° | 120.2° |
| CAS | CAT | H7 | H8 | 119.8° | 120.1° |
| CAS | CAT | CAU | H9 | 60.5° | 60.8° |
| CAS | CAT | CAU | H10 | 179.8° | 179.2° |
| CAR | CAS | CAT | CAU | 59.8° | 57.6° |
| CAS | CAR | CAQ | H3 | 120.0° | 119.9° |
| CAS | CAR | CAQ | H4 | 120.0° | 120.0° |
| CAS | CAR | CAQ | NAP | 59.9° | 59.2° |
| CAS | CAR | CAQ | H1 | 179.6° | 179.2° |
| CAS | CAR | CAQ | H2 | 60.6° | 60.8° |
| CAS | CAR | H3 | H4 | 119.9° | 120.0° |
| CAR | CAS | H5 | H6 | 121.1° | 120.2° |
| CAR | CAS | CAT | H7 | 179.9° | 177.5° |
| CAR | CAS | CAT | H8 | 60.2° | 62.3° |
| CAT | CAU | NAP | H9 | 120.4° | 120.0° |
| CAT | CAU | NAP | H10 | 120.3° | 120.0° |
| CAT | CAU | NAP | CAQ | 56.0° | 61.7° |
| CAT | CAU | NAP | CAO | 179.7° | 174.2° |
| CAU | CAT | CAS | H5 | 179.4° | 62.3° |
| CAU | CAT | CAS | H6 | 59.8° | 177.6° |
| CAU | CAT | H7 | H8 | 119.7° | 120.1° |
| CAT | CAU | H9 | H10 | 118.9° | 120.0° |
| CAR | CAQ | NAP | CAU | 56.6° | 61.7° |
| CAR | CAQ | NAP | H1 | 120.5° | 120.0° |
| CAR | CAQ | NAP | H2 | 120.5° | 120.0° |
| CAR | CAQ | NAP | CAO | 179.6° | 174.2° |
| CAR | CAQ | H1 | H2 | 118.5° | 119.9° |
| CAQ | CAR | H3 | H4 | 119.9° | 120.1° |
| CAQ | CAR | CAS | H5 | 179.4° | 62.3° |
| CAQ | CAR | CAS | H6 | 59.9° | 177.6° |
| CAU | NAP | CAQ | CAO | 123.0° | 124.1° |
| CAU | NAP | CAO | CAN | 167.1° | 160.0° |
| CAU | NAP | CAQ | H1 | 177.1° | 178.3° |
| CAU | NAP | CAQ | H2 | 63.9° | 58.3° |
| NAP | CAU | CAT | H7 | 179.9° | 179.1° |
| NAP | CAU | CAT | H8 | 60.2° | 60.8° |
| NAP | CAU | H9 | H10 | 118.9° | 120.0° |
| CAU | NAP | CAO | H12 | 70.9° | 80.0° |
| CAU | NAP | CAO | H13 | 45.1° | 40.0° |
| CAQ | NAP | CAO | CAN | 70.9° | 75.8° |
| NAP | CAQ | H1 | H2 | 118.6° | 120.0° |
| NAP | CAQ | CAR | H3 | 60.1° | 179.1° |
| NAP | CAQ | CAR | H4 | 180.0° | 60.8° |
| CAQ | NAP | CAU | H9 | 64.4° | 58.3° |
| CAQ | NAP | CAU | H10 | 176.3° | 178.3° |
| CAQ | NAP | CAO | H12 | 51.1° | 44.2° |
| CAQ | NAP | CAO | H13 | 167.1° | 164.2° |
| NAP | CAO | CAN | H12 | 122.0° | 120.0° |
| NAP | CAO | CAN | H13 | 122.0° | 120.0° |
| NAP | CAO | CAN | CAM | 40.0° | 179.6° |
| NAP | CAO | CAN | CAH | 179.0° | 65.5° |
| CAO | NAP | CAQ | H1 | 59.9° | 54.2° |
| CAO | NAP | CAQ | H2 | 59.1° | 65.8° |
| CAO | NAP | CAU | H9 | 60.0° | 65.8° |
| CAO | NAP | CAU | H10 | 59.3° | 54.2° |
| NAP | CAO | H12 | H13 | 113.2° | 120.0° |
| NAP | CAO | CAN | H14 | 72.6° | 57.0° |
| CAO | CAN | CAM | CAL | 153.1° | 144.4° |
| CAO | CAN | CAM | CAH | 145.8° | 118.8° |
| CAO | CAN | CAM | H14 | 112.7° | 122.5° |
| CAO | CAN | CAH | H14 | 108.4° | 122.4° |
| CAO | CAN | CAH | NAG | 171.1° | 135.5° |
| CAO | CAN | CAH | NAI | 1.5° | 44.5° |
| CAN | CAO | H12 | H13 | 113.2° | 120.0° |
| CAO | CAN | CAM | H15 | 89.2° | 97.5° |
| CAO | CAN | CAM | H16 | 35.5° | 26.3° |
| CAL | CAM | CAN | H15 | 117.6° | 118.1° |
| CAL | CAM | CAN | H16 | 117.7° | 118.0° |
| CAM | CAL | NAG | H17 | 117.1° | 119.1° |
| CAM | CAL | NAG | H18 | 117.1° | 119.0° |
| CAL | CAM | CAN | CAH | 61.1° | 25.6° |
| CAM | CAL | NAG | CAH | 35.8° | 17.5° |
| CAM | CAL | NAG | CAD | 148.6° | 162.5° |
| CAL | CAM | CAN | H14 | 40.5° | 93.2° |
| CAL | CAM | H15 | H16 | 126.5° | 123.9° |
| CAM | CAL | H17 | H18 | 128.0° | 121.9° |
| CAN | CAM | CAL | NAG | 59.0° | 26.2° |
| CAM | CAN | CAH | H14 | 101.3° | 118.8° |
| CAM | CAN | CAH | NAG | 38.5° | 16.8° |
| CAM | CAN | CAH | NAI | 148.8° | 163.2° |
| CAM | CAN | CAO | H12 | 82.1° | 59.6° |
| CAM | CAN | CAO | H13 | 162.0° | 60.4° |
| CAN | CAM | H15 | H16 | 126.5° | 123.9° |
| CAN | CAM | CAL | H17 | 58.0° | 92.8° |
| CAN | CAM | CAL | H18 | 176.1° | 145.2° |
| CAL | NAG | CAH | CAN | 0.6° | 0.3° |
| CAL | NAG | CAH | CAD | 176.0° | 180.0° |
| CAL | NAG | CAH | NAI | 173.4° | 179.6° |
| CAL | NAG | CAD | CAC | 5.9° | 0.3° |
| CAL | NAG | CAD | CAE | 175.9° | 179.7° |
| NAG | CAL | CAM | H15 | 58.6° | 144.3° |
| NAG | CAL | CAM | H16 | 176.7° | 91.8° |
| NAG | CAL | H17 | H18 | 128.0° | 121.9° |
| CAN | CAH | NAG | NAI | 174.0° | 179.9° |
| CAN | CAH | NAG | CAD | 176.6° | 179.6° |
| CAN | CAH | NAI | CAJ | 178.1° | 179.9° |
| CAH | CAN | CAO | H12 | 56.9° | 174.6° |
| CAH | CAN | CAO | H13 | 59.0° | 54.5° |
| CAH | CAN | CAM | H15 | 56.6° | 143.7° |
| CAH | CAN | CAM | H16 | 178.7° | 92.4° |
| CAH | NAG | CAD | CAC | 179.4° | 179.7° |
| CAH | NAG | CAD | CAE | 1.2° | 0.3° |
| NAG | CAH | NAI | CAJ | 6.0° | 0.2° |
| NAG | CAH | CAN | H14 | 62.8° | 102.0° |
| CAH | NAG | CAL | H17 | 81.2° | 101.6° |
| CAH | NAG | CAL | H18 | 152.9° | 136.5° |
| NAI | CAH | NAG | CAD | 2.6° | 0.4° |
| CAH | NAI | CAJ | CAE | 5.6° | 0.1° |
| CAH | NAI | CAJ | OAK | 176.1° | 179.9° |
| NAI | CAH | CAN | H14 | 109.9° | 77.9° |
| NAG | CAD | CAC | CAE | 178.2° | 180.0° |
| NAG | CAD | CAC | CAB | 178.3° | 180.0° |
| NAG | CAD | CAE | CAJ | 1.7° | 0.0° |
| NAG | CAD | CAE | CAF | 178.4° | 180.0° |
| CAD | NAG | CAL | H17 | 94.3° | 78.5° |
| CAD | NAG | CAL | H18 | 31.5° | 43.4° |
| NAG | CAD | CAC | H19 | 1.7° | 0.0° |
| CAD | CAC | CAB | H19 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.1° | 0.0° |
| CAC | CAD | CAE | CAJ | 179.9° | 180.0° |
| CAC | CAD | CAE | CAF | 0.1° | 0.0° |
| CAD | CAC | CAB | H20 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.2° | 0.0° |
| CAC | CAB | CAA | H20 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.1° | 0.0° |
| CAC | CAB | CAA | H21 | 179.9° | 180.0° |
| CAD | CAE | CAJ | NAI | 1.7° | 0.2° |
| CAD | CAE | CAJ | CAF | 180.0° | 180.0° |
| CAD | CAE | CAJ | OAK | 180.0° | 179.8° |
| CAD | CAE | CAF | CAA | 0.0° | 0.0° |
| CAE | CAD | CAC | H19 | 179.8° | 180.0° |
| CAD | CAE | CAF | H22 | 180.0° | 180.0° |
| NAI | CAJ | CAE | OAK | 178.3° | 180.0° |
| NAI | CAJ | CAE | CAF | 178.2° | 179.8° |
| CAB | CAA | CAF | CAE | 0.1° | 0.1° |
| CAB | CAA | CAF | H21 | 180.0° | 180.0° |
| CAA | CAB | CAC | H19 | 179.9° | 180.0° |
| CAB | CAA | CAF | H22 | 179.9° | 180.0° |
| CAJ | CAE | CAF | CAA | 180.0° | 180.0° |
| CAJ | CAE | CAF | H22 | 0.1° | 0.0° |
| CAF | CAE | CAJ | OAK | 0.0° | 0.2° |
| CAE | CAF | CAA | H22 | 180.0° | 179.9° |
| CAE | CAF | CAA | H21 | 179.9° | 180.0° |
| CAF | CAA | CAB | H20 | 179.9° | 180.0° |
| H1 | CAQ | CAR | H3 | 60.4° | 60.9° |
| H1 | CAQ | CAR | H4 | 59.5° | 59.2° |
| H2 | CAQ | CAR | H3 | 179.4° | 59.1° |
| H2 | CAQ | CAR | H4 | 59.5° | 179.2° |
| H3 | CAR | CAS | H5 | 59.3° | 57.7° |
| H3 | CAR | CAS | H6 | 179.9° | 62.4° |
| H4 | CAR | CAS | H5 | 60.6° | 177.7° |
| H4 | CAR | CAS | H6 | 60.2° | 57.6° |
| H5 | CAS | CAT | H7 | 60.5° | 57.7° |
| H5 | CAS | CAT | H8 | 59.4° | 177.8° |
| H6 | CAS | CAT | H7 | 60.3° | 62.5° |
| H6 | CAS | CAT | H8 | 179.8° | 57.6° |
| H7 | CAT | CAU | H9 | 59.6° | 59.1° |
| H7 | CAT | CAU | H10 | 59.7° | 60.9° |
| H8 | CAT | CAU | H9 | 179.4° | 179.3° |
| H8 | CAT | CAU | H10 | 60.1° | 59.3° |
| H12 | CAO | CAN | H14 | 165.3° | 63.0° |
| H13 | CAO | CAN | H14 | 49.4° | 177.0° |
| H14 | CAN | CAM | H15 | 158.1° | 24.9° |
| H14 | CAN | CAM | H16 | 77.2° | 148.8° |
| H15 | CAM | CAL | H17 | 175.6° | 25.2° |
| H15 | CAM | CAL | H18 | 58.5° | 96.7° |
| H16 | CAM | CAL | H17 | 59.6° | 149.1° |
| H16 | CAM | CAL | H18 | 66.2° | 27.2° |
| H19 | CAC | CAB | H20 | 0.0° | 0.0° |
| H20 | CAB | CAA | H21 | 0.1° | 0.0° |
| H21 | CAA | CAF | H22 | 0.1° | 0.1° |
