2TV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAP | CAB | sing | 1.51Å | 1.52Å | |
| CAP | OAD | doub | 1.21Å | 1.23Å | |
| OAN | CAI | sing | 1.35Å | 1.45Å | |
| OAN | CAP | sing | 1.34Å | 1.33Å | |
| CAR | CAS | sing | 1.46Å | 1.42Å | |
| CAR | CAI | doub | 1.34Å | 1.38Å | |
| CAJ | CAR | sing | 1.52Å | 1.40Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| SAO | CAU | sing | 1.82Å | 1.75Å | |
| SAO | CAJ | sing | 1.82Å | 1.80Å | |
| CAS | CAQ | sing | 1.49Å | 1.40Å | |
| CAQ | OAF | doub | 1.21Å | 1.25Å | |
| CAQ | OAE | sing | 1.35Å | 1.23Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| NAL | CAS | doub | 1.28Å | 1.30Å | |
| CAU | NAL | sing | 1.45Å | 1.43Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAV | CAT | sing | 1.51Å | 1.52Å | |
| CAV | CAU | sing | 1.53Å | 1.50Å | |
| CAV | H11 | sing | 1.09Å | 1.10Å | |
| NAK | CAV | sing | 1.46Å | 1.42Å | |
| NAK | H12 | sing | 0.97Å | 1.00Å | |
| CAH | NAK | sing | 1.35Å | 1.34Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| OAC | CAH | doub | 1.21Å | 1.22Å | |
| CAT | OAG | doub | 1.21Å | 1.20Å | |
| CAT | H14 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | CAB | H2 | 109.5° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H1 | CAB | CAP | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | CAP | 109.5° | 109.4° |
| H3 | CAB | CAP | 109.5° | 109.5° |
| CAB | CAP | OAD | 121.7° | 120.0° |
| CAB | CAP | OAN | 114.2° | 120.0° |
| OAD | CAP | OAN | 124.1° | 120.0° |
| CAI | OAN | CAP | 109.5° | 117.0° |
| OAN | CAI | CAR | 105.6° | 120.0° |
| OAN | CAI | H4 | 127.2° | 120.0° |
| CAS | CAR | CAI | 124.5° | 120.3° |
| CAS | CAR | CAJ | 123.5° | 119.4° |
| CAR | CAS | CAQ | 130.3° | 116.9° |
| CAR | CAS | NAL | 120.0° | 126.3° |
| CAI | CAR | CAJ | 111.9° | 120.3° |
| CAR | CAI | H4 | 127.2° | 120.0° |
| CAR | CAJ | H7 | 109.4° | 110.0° |
| CAR | CAJ | H8 | 109.4° | 110.0° |
| CAR | CAJ | SAO | 109.9° | 106.7° |
| H7 | CAJ | H8 | 109.5° | 110.0° |
| H7 | CAJ | SAO | 109.4° | 110.1° |
| H8 | CAJ | SAO | 109.4° | 110.1° |
| CAU | SAO | CAJ | 89.1° | 101.4° |
| SAO | CAU | NAL | 111.8° | 110.2° |
| SAO | CAU | H10 | 105.0° | 109.4° |
| SAO | CAU | CAV | 115.2° | 109.3° |
| CAS | CAQ | OAF | 121.5° | 120.0° |
| CAS | CAQ | OAE | 119.0° | 120.0° |
| CAQ | CAS | NAL | 109.7° | 116.8° |
| OAF | CAQ | OAE | 119.5° | 120.0° |
| CAQ | OAE | H9 | 109.5° | 117.0° |
| CAS | NAL | CAU | 122.1° | 127.6° |
| NAL | CAU | H10 | 108.5° | 109.6° |
| NAL | CAU | CAV | 108.4° | 109.2° |
| H10 | CAU | CAV | 107.6° | 109.2° |
| CAT | CAV | CAU | 108.1° | 109.5° |
| CAT | CAV | H11 | 107.5° | 109.5° |
| CAT | CAV | NAK | 106.9° | 109.4° |
| CAV | CAT | OAG | 130.3° | 120.0° |
| CAV | CAT | H14 | 114.8° | 120.0° |
| CAU | CAV | H11 | 107.8° | 109.5° |
| CAU | CAV | NAK | 117.3° | 109.5° |
| H11 | CAV | NAK | 108.8° | 109.5° |
| CAV | NAK | H12 | 122.3° | 120.0° |
| CAV | NAK | CAH | 115.4° | 120.0° |
| H12 | NAK | CAH | 122.3° | 120.0° |
| NAK | CAH | H13 | 118.0° | 120.0° |
| NAK | CAH | OAC | 124.0° | 120.0° |
| H13 | CAH | OAC | 118.0° | 120.0° |
| OAG | CAT | H14 | 114.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H1 | CAB | H2 | CAP | 120.0° | 120.0° |
| H1 | CAB | H3 | CAP | 120.0° | 120.0° |
| H1 | CAB | CAP | OAD | 0.0° | 0.0° |
| H1 | CAB | CAP | OAN | 179.3° | 180.0° |
| H2 | CAB | H3 | CAP | 120.0° | 119.9° |
| H2 | CAB | CAP | OAD | 120.0° | 120.0° |
| H2 | CAB | CAP | OAN | 59.3° | 59.9° |
| H3 | CAB | CAP | OAD | 120.0° | 120.0° |
| H3 | CAB | CAP | OAN | 60.7° | 60.0° |
| CAB | CAP | OAD | OAN | 179.3° | 180.0° |
| CAB | CAP | OAN | CAI | 126.2° | 180.0° |
| OAD | CAP | OAN | CAI | 54.5° | 0.0° |
| OAN | CAI | CAR | CAS | 175.7° | 172.7° |
| OAN | CAI | CAR | H4 | 180.0° | 180.0° |
| OAN | CAI | CAR | CAJ | 3.0° | 7.0° |
| CAP | OAN | CAI | CAR | 122.6° | 180.0° |
| CAP | OAN | CAI | H4 | 57.4° | 0.1° |
| CAS | CAR | CAI | CAJ | 178.7° | 179.7° |
| CAS | CAR | CAJ | H7 | 156.7° | 161.5° |
| CAS | CAR | CAJ | H8 | 83.4° | 77.2° |
| CAS | CAR | CAJ | SAO | 36.6° | 42.2° |
| CAR | CAS | CAQ | NAL | 177.1° | 179.9° |
| CAR | CAS | CAQ | OAF | 70.9° | 6.8° |
| CAR | CAS | CAQ | OAE | 109.4° | 173.2° |
| CAR | CAS | NAL | CAU | 0.6° | 2.5° |
| CAS | CAR | CAI | H4 | 4.3° | 7.3° |
| CAI | CAR | CAJ | H7 | 22.1° | 18.7° |
| CAI | CAR | CAJ | H8 | 97.8° | 102.5° |
| CAI | CAR | CAJ | SAO | 142.1° | 138.1° |
| CAI | CAR | CAS | CAQ | 3.2° | 13.0° |
| CAI | CAR | CAS | NAL | 179.9° | 166.9° |
| CAR | CAJ | H7 | H8 | 119.8° | 121.2° |
| CAR | CAJ | H7 | SAO | 120.4° | 117.3° |
| CAR | CAJ | H8 | SAO | 120.4° | 117.3° |
| CAR | CAJ | SAO | CAU | 61.5° | 55.4° |
| CAJ | CAR | CAS | CAQ | 178.2° | 166.7° |
| CAJ | CAR | CAS | NAL | 1.3° | 13.4° |
| CAJ | CAR | CAI | H4 | 177.0° | 173.0° |
| H7 | CAJ | H8 | SAO | 119.8° | 121.4° |
| H7 | CAJ | SAO | CAU | 178.5° | 174.7° |
| H8 | CAJ | SAO | CAU | 58.6° | 63.9° |
| SAO | CAU | NAL | CAS | 42.3° | 24.1° |
| SAO | CAU | NAL | H10 | 115.3° | 120.4° |
| SAO | CAU | NAL | CAV | 128.1° | 120.1° |
| SAO | CAU | H10 | CAV | 123.2° | 119.5° |
| SAO | CAU | CAV | CAT | 175.1° | 65.0° |
| SAO | CAU | CAV | H11 | 69.0° | 55.0° |
| SAO | CAU | CAV | NAK | 54.1° | 175.0° |
| CAJ | SAO | CAU | NAL | 65.2° | 47.4° |
| CAJ | SAO | CAU | H10 | 52.2° | 73.1° |
| CAJ | SAO | CAU | CAV | 170.4° | 167.4° |
| CAS | CAQ | OAF | OAE | 179.7° | 180.0° |
| CAS | CAQ | OAE | H9 | 179.7° | 180.0° |
| CAQ | CAS | NAL | CAU | 176.9° | 177.6° |
| OAF | CAQ | OAE | H9 | 0.0° | 0.0° |
| OAF | CAQ | CAS | NAL | 112.0° | 173.3° |
| OAE | CAQ | CAS | NAL | 67.7° | 6.7° |
| CAS | NAL | CAU | H10 | 73.1° | 96.3° |
| CAS | NAL | CAU | CAV | 170.4° | 144.2° |
| NAL | CAU | H10 | CAV | 117.1° | 119.5° |
| NAL | CAU | CAV | CAT | 48.9° | 174.3° |
| NAL | CAU | CAV | H11 | 164.9° | 65.7° |
| NAL | CAU | CAV | NAK | 72.0° | 54.4° |
| H10 | CAU | CAV | CAT | 68.2° | 54.5° |
| H10 | CAU | CAV | H11 | 47.8° | 174.6° |
| H10 | CAU | CAV | NAK | 170.9° | 65.4° |
| CAT | CAV | CAU | H11 | 116.0° | 120.0° |
| CAT | CAV | CAU | NAK | 120.9° | 120.0° |
| CAT | CAV | H11 | NAK | 115.5° | 119.9° |
| CAT | CAV | NAK | H12 | 104.6° | 95.1° |
| CAT | CAV | NAK | CAH | 75.4° | 85.1° |
| CAV | CAT | OAG | H14 | 180.0° | 180.0° |
| CAU | CAV | H11 | NAK | 128.2° | 120.1° |
| CAU | CAV | NAK | H12 | 17.0° | 24.9° |
| CAU | CAV | NAK | CAH | 163.0° | 155.0° |
| CAU | CAV | CAT | OAG | 67.1° | 120.0° |
| CAU | CAV | CAT | H14 | 112.9° | 60.0° |
| H11 | CAV | NAK | H12 | 139.6° | 145.0° |
| H11 | CAV | NAK | CAH | 40.4° | 34.9° |
| H11 | CAV | CAT | OAG | 176.8° | 120.0° |
| H11 | CAV | CAT | H14 | 3.3° | 60.0° |
| CAV | NAK | H12 | CAH | 180.0° | 179.9° |
| CAV | NAK | CAH | H13 | 0.6° | 180.0° |
| CAV | NAK | CAH | OAC | 179.4° | 0.1° |
| NAK | CAV | CAT | OAG | 60.1° | 0.0° |
| NAK | CAV | CAT | H14 | 120.0° | 180.0° |
| H12 | NAK | CAH | H13 | 179.4° | 0.1° |
| H12 | NAK | CAH | OAC | 0.6° | 180.0° |
| NAK | CAH | H13 | OAC | 180.0° | 179.9° |
