2H8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAN | sing | 1.51Å | 1.53Å | |
| CAI | CAR | sing | 1.53Å | 1.59Å | |
| CAI | CAA | sing | 1.53Å | 1.53Å | |
| CAR | CAJ | sing | 1.53Å | 1.57Å | |
| CAR | OAM | sing | 1.43Å | 1.44Å | |
| CAJ | CAB | sing | 1.53Å | 1.55Å | |
| NAL | CAN | sing | 1.35Å | 1.35Å | |
| NAL | CAT | sing | 1.46Å | 1.45Å | |
| CAN | OAE | doub | 1.21Å | 1.20Å | |
| OAM | CAS | sing | 1.43Å | 1.43Å | |
| CAS | CAT | sing | 1.53Å | 1.53Å | |
| CAS | CAK | sing | 1.53Å | 1.54Å | |
| CAT | CAQ | sing | 1.53Å | 1.57Å | |
| CAQ | NAD | sing | 1.47Å | 1.47Å | |
| CAQ | CAH | sing | 1.50Å | 1.42Å | |
| CAH | CAP | doub | 1.32Å | 1.42Å | |
| CAK | CAP | sing | 1.50Å | 1.45Å | |
| CAP | CAO | sing | 1.47Å | 1.40Å | |
| OAG | CAO | doub | 1.22Å | 1.28Å | |
| CAO | OAF | sing | 1.35Å | 1.28Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| OAF | H15 | sing | 0.97Å | 0.95Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| NAD | H18 | sing | 1.01Å | 1.00Å | |
| NAD | H19 | sing | 1.01Å | 1.00Å | |
| CAT | H21 | sing | 1.09Å | 1.10Å | |
| NAL | H22 | sing | 0.97Å | 1.00Å | |
| CAC | H23 | sing | 1.09Å | 1.10Å | |
| CAC | H24 | sing | 1.09Å | 1.10Å | |
| CAC | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAN | NAL | 115.1° | 120.0° |
| CAC | CAN | OAE | 120.3° | 120.0° |
| CAN | CAC | H23 | 109.5° | 109.5° |
| CAN | CAC | H24 | 109.5° | 109.5° |
| CAN | CAC | H25 | 109.5° | 109.5° |
| CAR | CAI | CAA | 112.2° | 109.4° |
| CAI | CAR | CAJ | 113.3° | 109.4° |
| CAI | CAR | OAM | 111.4° | 109.5° |
| CAR | CAI | H4 | 108.8° | 109.5° |
| CAR | CAI | H5 | 108.8° | 109.4° |
| CAI | CAR | H6 | 106.9° | 109.4° |
| CAI | CAA | H1 | 109.5° | 109.4° |
| CAI | CAA | H2 | 109.5° | 109.5° |
| CAI | CAA | H3 | 109.4° | 109.5° |
| CAA | CAI | H4 | 108.8° | 109.5° |
| CAA | CAI | H5 | 108.8° | 109.5° |
| CAJ | CAR | OAM | 109.3° | 109.5° |
| CAR | CAJ | CAB | 112.7° | 109.5° |
| CAJ | CAR | H6 | 107.1° | 109.4° |
| CAR | CAJ | H7 | 108.6° | 109.5° |
| CAR | CAJ | H8 | 108.6° | 109.5° |
| CAR | OAM | CAS | 117.3° | 114.0° |
| OAM | CAR | H6 | 108.6° | 109.5° |
| CAB | CAJ | H7 | 108.6° | 109.4° |
| CAB | CAJ | H8 | 108.6° | 109.5° |
| CAJ | CAB | H9 | 109.5° | 109.5° |
| CAJ | CAB | H10 | 109.5° | 109.4° |
| CAJ | CAB | H11 | 109.5° | 109.5° |
| CAN | NAL | CAT | 123.9° | 120.0° |
| NAL | CAN | OAE | 124.6° | 120.0° |
| CAN | NAL | H22 | 118.1° | 120.0° |
| NAL | CAT | CAS | 108.8° | 109.7° |
| NAL | CAT | CAQ | 109.4° | 109.6° |
| NAL | CAT | H21 | 111.1° | 109.8° |
| CAT | NAL | H22 | 118.0° | 120.0° |
| OAM | CAS | CAT | 108.9° | 109.6° |
| OAM | CAS | CAK | 107.3° | 109.6° |
| OAM | CAS | H12 | 111.5° | 109.6° |
| CAT | CAS | CAK | 109.4° | 108.6° |
| CAS | CAT | CAQ | 107.9° | 108.5° |
| CAT | CAS | H12 | 109.9° | 109.6° |
| CAS | CAT | H21 | 110.0° | 109.6° |
| CAS | CAK | CAP | 112.6° | 110.1° |
| CAK | CAS | H12 | 109.8° | 109.8° |
| CAS | CAK | H13 | 108.7° | 109.4° |
| CAS | CAK | H14 | 108.7° | 109.4° |
| CAT | CAQ | NAD | 114.0° | 109.4° |
| CAT | CAQ | CAH | 114.8° | 110.1° |
| CAT | CAQ | H17 | 104.1° | 109.3° |
| CAQ | CAT | H21 | 109.6° | 109.6° |
| NAD | CAQ | CAH | 112.0° | 109.4° |
| NAD | CAQ | H17 | 105.1° | 109.4° |
| CAQ | NAD | H18 | 109.5° | 111.0° |
| CAQ | NAD | H19 | 109.5° | 111.0° |
| CAQ | CAH | CAP | 121.0° | 123.8° |
| CAQ | CAH | H16 | 119.5° | 118.1° |
| CAH | CAQ | H17 | 105.6° | 109.3° |
| CAH | CAP | CAK | 122.7° | 123.8° |
| CAH | CAP | CAO | 119.7° | 118.1° |
| CAP | CAH | H16 | 119.5° | 118.1° |
| CAK | CAP | CAO | 117.4° | 118.1° |
| CAP | CAK | H13 | 108.7° | 109.4° |
| CAP | CAK | H14 | 108.7° | 109.3° |
| CAP | CAO | OAG | 119.4° | 120.0° |
| CAP | CAO | OAF | 118.7° | 120.0° |
| OAG | CAO | OAF | 121.8° | 120.0° |
| CAO | OAF | H15 | 109.5° | 117.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAI | H5 | 109.5° | 109.5° |
| H7 | CAJ | H8 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.4° | 109.5° |
| H9 | CAB | H11 | 109.4° | 109.5° |
| H10 | CAB | H11 | 109.5° | 109.5° |
| H13 | CAK | H14 | 109.4° | 109.3° |
| H18 | NAD | H19 | 109.5° | 111.0° |
| H23 | CAC | H24 | 109.4° | 109.5° |
| H23 | CAC | H25 | 109.5° | 109.5° |
| H24 | CAC | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAN | NAL | OAE | 179.7° | 180.0° |
| CAC | CAN | NAL | CAT | 179.7° | 180.0° |
| CAC | CAN | NAL | H22 | 0.3° | 0.0° |
| CAN | CAC | H23 | H24 | 120.0° | 120.0° |
| CAN | CAC | H23 | H25 | 120.0° | 120.0° |
| CAN | CAC | H24 | H25 | 120.0° | 120.0° |
| CAR | CAI | CAA | H4 | 120.4° | 120.1° |
| CAR | CAI | CAA | H5 | 120.4° | 119.9° |
| CAI | CAR | CAJ | OAM | 124.8° | 120.1° |
| CAI | CAR | CAJ | H6 | 117.6° | 119.9° |
| CAI | CAR | OAM | H6 | 117.5° | 120.0° |
| CAI | CAR | CAJ | CAB | 170.2° | 175.3° |
| CAI | CAR | OAM | CAS | 64.2° | 146.0° |
| CAR | CAI | CAA | H1 | 180.0° | 180.0° |
| CAR | CAI | CAA | H2 | 60.0° | 60.1° |
| CAR | CAI | CAA | H3 | 60.0° | 60.0° |
| CAR | CAI | H4 | H5 | 118.7° | 120.0° |
| CAI | CAR | CAJ | H7 | 49.7° | 55.3° |
| CAI | CAR | CAJ | H8 | 69.4° | 64.8° |
| CAA | CAI | CAR | CAJ | 60.4° | 175.0° |
| CAA | CAI | CAR | OAM | 63.3° | 65.0° |
| CAI | CAA | H1 | H2 | 120.0° | 120.0° |
| CAI | CAA | H1 | H3 | 120.0° | 120.0° |
| CAI | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAI | H4 | H5 | 118.8° | 120.0° |
| CAA | CAI | CAR | H6 | 178.1° | 55.1° |
| CAJ | CAR | OAM | H6 | 116.6° | 120.0° |
| CAR | CAJ | CAB | H7 | 120.5° | 120.0° |
| CAR | CAJ | CAB | H8 | 120.5° | 120.0° |
| CAJ | CAR | OAM | CAS | 169.8° | 94.0° |
| CAJ | CAR | CAI | H4 | 60.0° | 54.9° |
| CAJ | CAR | CAI | H5 | 179.2° | 65.1° |
| CAR | CAJ | H7 | H8 | 118.5° | 120.0° |
| CAR | CAJ | CAB | H9 | 180.0° | 177.4° |
| CAR | CAJ | CAB | H10 | 60.0° | 57.4° |
| CAR | CAJ | CAB | H11 | 60.0° | 62.6° |
| OAM | CAR | CAJ | CAB | 65.0° | 64.7° |
| CAR | OAM | CAS | CAT | 108.4° | 156.5° |
| CAR | OAM | CAS | CAK | 133.3° | 84.5° |
| OAM | CAR | CAI | H4 | 176.3° | 175.0° |
| OAM | CAR | CAI | H5 | 57.1° | 55.0° |
| OAM | CAR | CAJ | H7 | 174.5° | 175.3° |
| OAM | CAR | CAJ | H8 | 55.5° | 55.3° |
| CAR | OAM | CAS | H12 | 13.1° | 36.1° |
| CAB | CAJ | CAR | H6 | 52.5° | 55.4° |
| CAB | CAJ | H7 | H8 | 118.5° | 120.0° |
| CAJ | CAB | H9 | H10 | 120.0° | 120.0° |
| CAJ | CAB | H9 | H11 | 120.0° | 120.0° |
| CAJ | CAB | H10 | H11 | 120.0° | 120.0° |
| CAN | NAL | CAT | H22 | 180.0° | 180.0° |
| CAN | NAL | CAT | CAS | 123.7° | 148.9° |
| CAN | NAL | CAT | CAQ | 118.6° | 92.0° |
| CAN | NAL | CAT | H21 | 2.5° | 28.4° |
| NAL | CAN | CAC | H23 | 179.7° | 90.0° |
| NAL | CAN | CAC | H24 | 60.3° | 150.0° |
| NAL | CAN | CAC | H25 | 59.7° | 30.0° |
| CAT | NAL | CAN | OAE | 0.6° | 0.0° |
| NAL | CAT | CAS | OAM | 63.2° | 52.5° |
| NAL | CAT | CAS | CAQ | 118.6° | 119.7° |
| NAL | CAT | CAS | H21 | 121.9° | 120.6° |
| NAL | CAT | CAS | CAK | 179.8° | 172.2° |
| NAL | CAT | CAQ | H21 | 122.1° | 120.6° |
| NAL | CAT | CAQ | NAD | 62.3° | 70.3° |
| NAL | CAT | CAQ | CAH | 166.6° | 169.4° |
| NAL | CAT | CAS | H12 | 59.2° | 67.8° |
| NAL | CAT | CAQ | H17 | 51.6° | 49.4° |
| OAE | CAN | NAL | H22 | 179.5° | 180.0° |
| OAE | CAN | CAC | H23 | 0.0° | 90.0° |
| OAE | CAN | CAC | H24 | 120.0° | 30.0° |
| OAE | CAN | CAC | H25 | 120.0° | 150.0° |
| OAM | CAS | CAT | CAK | 117.0° | 119.7° |
| OAM | CAS | CAT | H12 | 122.4° | 120.3° |
| OAM | CAS | CAK | H12 | 121.3° | 120.4° |
| OAM | CAS | CAT | CAQ | 178.2° | 172.2° |
| OAM | CAS | CAK | CAP | 168.1° | 169.5° |
| CAS | OAM | CAR | H6 | 53.3° | 26.0° |
| OAM | CAS | CAK | H13 | 47.6° | 49.3° |
| OAM | CAS | CAK | H14 | 71.5° | 70.3° |
| OAM | CAS | CAT | H21 | 58.8° | 68.1° |
| CAT | CAS | CAK | H12 | 120.7° | 119.9° |
| CAS | CAT | CAQ | H21 | 119.7° | 119.7° |
| CAS | CAT | CAQ | NAD | 179.5° | 169.9° |
| CAS | CAT | CAQ | CAH | 48.4° | 49.7° |
| CAT | CAS | CAK | CAP | 50.0° | 49.8° |
| CAT | CAS | CAK | H13 | 70.5° | 70.4° |
| CAT | CAS | CAK | H14 | 170.5° | 170.0° |
| CAS | CAT | CAQ | H17 | 66.6° | 70.4° |
| CAS | CAT | NAL | H22 | 56.3° | 31.1° |
| CAK | CAS | CAT | CAQ | 61.2° | 68.1° |
| CAS | CAK | CAP | CAH | 24.3° | 17.2° |
| CAS | CAK | CAP | H13 | 120.5° | 120.2° |
| CAS | CAK | CAP | H14 | 120.5° | 120.2° |
| CAS | CAK | CAP | CAO | 150.3° | 162.8° |
| CAS | CAK | H13 | H14 | 118.6° | 119.7° |
| CAK | CAS | CAT | H21 | 58.3° | 51.6° |
| CAT | CAQ | NAD | CAH | 132.5° | 120.7° |
| CAT | CAQ | NAD | H17 | 113.3° | 119.6° |
| CAT | CAQ | CAH | H17 | 114.1° | 120.1° |
| CAT | CAQ | CAH | CAP | 23.0° | 17.1° |
| CAQ | CAT | CAS | H12 | 59.4° | 51.9° |
| CAT | CAQ | CAH | H16 | 157.0° | 162.8° |
| CAT | CAQ | NAD | H18 | 180.0° | 179.3° |
| CAT | CAQ | NAD | H19 | 60.0° | 55.4° |
| CAQ | CAT | NAL | H22 | 61.4° | 87.9° |
| NAD | CAQ | CAH | H17 | 113.8° | 119.7° |
| NAD | CAQ | CAH | CAP | 155.1° | 137.4° |
| NAD | CAQ | CAH | H16 | 24.9° | 42.5° |
| CAQ | NAD | H18 | H19 | 120.0° | 124.0° |
| NAD | CAQ | CAT | H21 | 59.8° | 50.3° |
| CAQ | CAH | CAP | H16 | 180.0° | 179.9° |
| CAQ | CAH | CAP | CAK | 10.9° | 0.4° |
| CAQ | CAH | CAP | CAO | 163.6° | 179.6° |
| CAH | CAQ | NAD | H18 | 47.5° | 60.0° |
| CAH | CAQ | NAD | H19 | 167.5° | 176.0° |
| CAH | CAQ | CAT | H21 | 71.4° | 70.0° |
| CAH | CAP | CAK | CAO | 174.6° | 180.0° |
| CAH | CAP | CAO | OAG | 161.4° | 0.0° |
| CAH | CAP | CAO | OAF | 17.8° | 180.0° |
| CAH | CAP | CAK | H13 | 96.2° | 103.0° |
| CAH | CAP | CAK | H14 | 144.8° | 137.4° |
| CAP | CAH | CAQ | H17 | 91.0° | 102.9° |
| CAK | CAP | CAO | OAG | 13.3° | 180.0° |
| CAK | CAP | CAO | OAF | 167.4° | 0.1° |
| CAP | CAK | CAS | H12 | 70.6° | 70.0° |
| CAP | CAK | H13 | H14 | 118.5° | 119.6° |
| CAK | CAP | CAH | H16 | 169.1° | 179.5° |
| CAP | CAO | OAG | OAF | 179.2° | 180.0° |
| CAO | CAP | CAK | H13 | 89.2° | 77.0° |
| CAO | CAP | CAK | H14 | 29.8° | 42.6° |
| CAP | CAO | OAF | H15 | 179.2° | 180.0° |
| CAO | CAP | CAH | H16 | 16.4° | 0.5° |
| OAG | CAO | OAF | H15 | 0.0° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAI | H4 | 59.6° | 60.0° |
| H1 | CAA | CAI | H5 | 59.6° | 60.0° |
| H2 | CAA | CAI | H4 | 179.6° | 60.0° |
| H2 | CAA | CAI | H5 | 60.4° | 180.0° |
| H3 | CAA | CAI | H4 | 60.4° | 179.9° |
| H3 | CAA | CAI | H5 | 179.6° | 59.9° |
| H4 | CAI | CAR | H6 | 57.7° | 65.0° |
| H5 | CAI | CAR | H6 | 61.4° | 175.0° |
| H6 | CAR | CAJ | H7 | 67.9° | 64.6° |
| H6 | CAR | CAJ | H8 | 173.0° | 175.3° |
| H7 | CAJ | CAB | H9 | 59.5° | 62.6° |
| H7 | CAJ | CAB | H10 | 179.5° | 177.5° |
| H7 | CAJ | CAB | H11 | 60.5° | 57.5° |
| H8 | CAJ | CAB | H9 | 59.5° | 57.4° |
| H8 | CAJ | CAB | H10 | 60.4° | 62.6° |
| H8 | CAJ | CAB | H11 | 179.5° | 177.4° |
| H9 | CAB | H10 | H11 | 120.0° | 120.0° |
| H12 | CAS | CAK | H13 | 168.9° | 169.8° |
| H12 | CAS | CAK | H14 | 49.8° | 50.1° |
| H12 | CAS | CAT | H21 | 178.8° | 171.6° |
| H16 | CAH | CAQ | H17 | 89.0° | 77.2° |
| H17 | CAQ | NAD | H18 | 66.7° | 59.7° |
| H17 | CAQ | NAD | H19 | 53.3° | 64.3° |
| H17 | CAQ | CAT | H21 | 173.7° | 169.9° |
| H21 | CAT | NAL | H22 | 177.5° | 151.6° |
| H23 | CAC | H24 | H25 | 120.0° | 120.0° |
