27V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | CAQ | sing | 1.51Å | 1.48Å | |
OAG | CAT | doub | 1.21Å | 1.22Å | |
CAJ | CAV | sing | 1.53Å | 1.54Å | |
CAJ | CAA | sing | 1.53Å | 1.54Å | |
CAK | CAV | sing | 1.53Å | 1.51Å | |
CAK | CAB | sing | 1.53Å | 1.52Å | |
CAV | OAO | sing | 1.43Å | 1.45Å | |
NAM | CAT | sing | 1.32Å | 1.33Å | |
NAM | CAS | sing | 1.37Å | 1.28Å | |
CAT | CAY | sing | 1.51Å | 1.43Å | |
NAN | CAQ | sing | 1.35Å | 1.28Å | |
NAN | CAX | sing | 1.47Å | 1.42Å | |
CAQ | OAE | doub | 1.21Å | 1.20Å | |
NAD | CAS | doub | 1.30Å | 1.30Å | |
CAS | SAP | sing | 1.77Å | 1.51Å | |
OAO | CAW | sing | 1.43Å | 1.40Å | |
CAW | CAX | sing | 1.53Å | 1.47Å | |
CAW | CAL | sing | 1.53Å | 1.48Å | |
CAX | CAY | sing | 1.53Å | 1.55Å | |
CAY | SAP | sing | 1.82Å | 1.76Å | |
CAY | CAI | sing | 1.50Å | 1.42Å | |
CAL | CAU | sing | 1.50Å | 1.41Å | |
CAI | CAU | doub | 1.32Å | 1.42Å | |
CAU | CAR | sing | 1.47Å | 1.42Å | |
OAH | CAR | doub | 1.22Å | 1.23Å | |
CAR | OAF | sing | 1.35Å | 1.23Å | |
NAM | H1 | sing | 0.97Å | 1.00Å | |
NAD | H2 | sing | 0.97Å | 1.00Å | |
CAX | H3 | sing | 1.09Å | 1.10Å | |
NAN | H4 | sing | 0.97Å | 1.00Å | |
CAC | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
CAC | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.08Å | 1.08Å | |
OAF | H9 | sing | 0.97Å | 0.95Å | |
CAL | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
CAW | H12 | sing | 1.09Å | 1.10Å | |
CAV | H13 | sing | 1.09Å | 1.10Å | |
CAK | H14 | sing | 1.09Å | 1.10Å | |
CAK | H15 | sing | 1.09Å | 1.10Å | |
CAB | H16 | sing | 1.09Å | 1.10Å | |
CAB | H17 | sing | 1.09Å | 1.10Å | |
CAB | H18 | sing | 1.09Å | 1.10Å | |
CAJ | H19 | sing | 1.09Å | 1.10Å | |
CAJ | H20 | sing | 1.09Å | 1.10Å | |
CAA | H21 | sing | 1.09Å | 1.10Å | |
CAA | H22 | sing | 1.09Å | 1.10Å | |
CAA | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAQ | NAN | 116.1° | 120.0° |
CAC | CAQ | OAE | 122.0° | 120.0° |
CAQ | CAC | H5 | 109.5° | 109.5° |
CAQ | CAC | H6 | 109.4° | 109.4° |
CAQ | CAC | H7 | 109.5° | 109.5° |
OAG | CAT | NAM | 115.5° | 123.0° |
OAG | CAT | CAY | 124.6° | 122.9° |
CAV | CAJ | CAA | 115.6° | 109.5° |
CAJ | CAV | CAK | 110.2° | 109.4° |
CAJ | CAV | OAO | 113.7° | 109.4° |
CAJ | CAV | H13 | 107.1° | 109.4° |
CAV | CAJ | H19 | 107.9° | 109.5° |
CAV | CAJ | H20 | 107.9° | 109.5° |
CAA | CAJ | H19 | 107.9° | 109.4° |
CAA | CAJ | H20 | 107.9° | 109.5° |
CAJ | CAA | H21 | 109.5° | 109.4° |
CAJ | CAA | H22 | 109.5° | 109.5° |
CAJ | CAA | H23 | 109.5° | 109.5° |
CAV | CAK | CAB | 109.7° | 109.4° |
CAK | CAV | OAO | 109.9° | 109.5° |
CAK | CAV | H13 | 107.5° | 109.5° |
CAV | CAK | H14 | 109.4° | 109.5° |
CAV | CAK | H15 | 109.4° | 109.5° |
CAB | CAK | H14 | 109.4° | 109.5° |
CAB | CAK | H15 | 109.4° | 109.5° |
CAK | CAB | H16 | 109.5° | 109.4° |
CAK | CAB | H17 | 109.4° | 109.5° |
CAK | CAB | H18 | 109.4° | 109.5° |
CAV | OAO | CAW | 113.3° | 114.0° |
OAO | CAV | H13 | 108.3° | 109.5° |
CAT | NAM | CAS | 111.4° | 120.2° |
NAM | CAT | CAY | 119.9° | 114.1° |
CAT | NAM | H1 | 124.3° | 119.9° |
NAM | CAS | NAD | 122.2° | 126.3° |
NAM | CAS | SAP | 111.9° | 107.4° |
CAS | NAM | H1 | 124.3° | 119.9° |
CAT | CAY | CAX | 113.7° | 110.6° |
CAT | CAY | SAP | 94.2° | 103.8° |
CAT | CAY | CAI | 115.7° | 111.0° |
CAQ | NAN | CAX | 123.8° | 120.0° |
NAN | CAQ | OAE | 122.0° | 120.0° |
CAQ | NAN | H4 | 118.1° | 120.0° |
NAN | CAX | CAW | 105.2° | 109.8° |
NAN | CAX | CAY | 106.4° | 109.7° |
NAN | CAX | H3 | 112.1° | 109.6° |
CAX | NAN | H4 | 118.1° | 120.0° |
NAD | CAS | SAP | 125.6° | 126.3° |
CAS | NAD | H2 | 112.0° | 120.0° |
CAS | SAP | CAY | 100.6° | 94.4° |
OAO | CAW | CAX | 108.4° | 109.6° |
OAO | CAW | CAL | 107.8° | 109.6° |
OAO | CAW | H12 | 110.9° | 109.8° |
CAX | CAW | CAL | 110.2° | 108.6° |
CAW | CAX | CAY | 111.3° | 108.5° |
CAW | CAX | H3 | 111.4° | 109.6° |
CAX | CAW | H12 | 109.8° | 109.6° |
CAW | CAL | CAU | 116.3° | 110.4° |
CAW | CAL | H10 | 107.7° | 109.3° |
CAW | CAL | H11 | 107.7° | 109.1° |
CAL | CAW | H12 | 109.7° | 109.6° |
CAX | CAY | SAP | 109.4° | 109.9° |
CAX | CAY | CAI | 109.9° | 111.2° |
CAY | CAX | H3 | 110.2° | 109.7° |
SAP | CAY | CAI | 113.1° | 110.1° |
CAY | CAI | CAU | 124.6° | 123.4° |
CAY | CAI | H8 | 117.7° | 118.3° |
CAL | CAU | CAI | 119.6° | 123.6° |
CAL | CAU | CAR | 115.3° | 118.3° |
CAU | CAL | H10 | 107.7° | 109.3° |
CAU | CAL | H11 | 107.7° | 109.3° |
CAI | CAU | CAR | 123.6° | 118.2° |
CAU | CAI | H8 | 117.7° | 118.3° |
CAU | CAR | OAH | 120.7° | 120.0° |
CAU | CAR | OAF | 123.9° | 119.9° |
OAH | CAR | OAF | 115.3° | 120.0° |
CAR | OAF | H9 | 109.5° | 116.9° |
H5 | CAC | H6 | 109.5° | 109.5° |
H5 | CAC | H7 | 109.4° | 109.5° |
H6 | CAC | H7 | 109.5° | 109.4° |
H10 | CAL | H11 | 109.5° | 109.3° |
H14 | CAK | H15 | 109.5° | 109.5° |
H16 | CAB | H17 | 109.4° | 109.5° |
H16 | CAB | H18 | 109.5° | 109.4° |
H17 | CAB | H18 | 109.5° | 109.5° |
H19 | CAJ | H20 | 109.5° | 109.4° |
H21 | CAA | H22 | 109.5° | 109.4° |
H21 | CAA | H23 | 109.4° | 109.5° |
H22 | CAA | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAQ | NAN | OAE | 179.6° | 179.9° |
CAC | CAQ | NAN | CAX | 179.4° | 180.0° |
CAC | CAQ | NAN | H4 | 0.6° | 0.1° |
CAQ | CAC | H5 | H6 | 120.0° | 120.0° |
CAQ | CAC | H5 | H7 | 120.0° | 120.0° |
CAQ | CAC | H6 | H7 | 120.0° | 120.0° |
OAG | CAT | NAM | CAY | 178.9° | 179.7° |
OAG | CAT | NAM | CAS | 179.8° | 180.0° |
OAG | CAT | CAY | CAX | 74.7° | 62.2° |
OAG | CAT | CAY | SAP | 172.1° | 179.9° |
OAG | CAT | CAY | CAI | 53.9° | 61.7° |
OAG | CAT | NAM | H1 | 0.2° | 0.1° |
CAV | CAJ | CAA | H19 | 120.9° | 120.0° |
CAV | CAJ | CAA | H20 | 120.9° | 120.1° |
CAJ | CAV | CAK | OAO | 126.0° | 120.0° |
CAJ | CAV | CAK | H13 | 116.4° | 120.0° |
CAJ | CAV | CAK | CAB | 159.9° | 175.0° |
CAJ | CAV | OAO | H13 | 118.9° | 119.9° |
CAJ | CAV | OAO | CAW | 81.8° | 90.0° |
CAJ | CAV | CAK | H14 | 80.1° | 65.0° |
CAJ | CAV | CAK | H15 | 39.9° | 55.0° |
CAV | CAJ | H19 | H20 | 117.2° | 120.0° |
CAV | CAJ | CAA | H21 | 180.0° | 60.0° |
CAV | CAJ | CAA | H22 | 60.0° | 59.9° |
CAV | CAJ | CAA | H23 | 60.0° | 180.0° |
CAA | CAJ | CAV | CAK | 40.2° | 175.0° |
CAA | CAJ | CAV | OAO | 83.7° | 65.0° |
CAA | CAJ | CAV | H13 | 156.8° | 54.9° |
CAA | CAJ | H19 | H20 | 117.2° | 120.0° |
CAJ | CAA | H21 | H22 | 120.0° | 120.0° |
CAJ | CAA | H21 | H23 | 120.0° | 120.0° |
CAJ | CAA | H22 | H23 | 120.0° | 120.1° |
CAV | CAK | CAB | H14 | 120.0° | 120.0° |
CAV | CAK | CAB | H15 | 120.0° | 120.0° |
CAK | CAV | OAO | H13 | 117.1° | 120.1° |
CAK | CAV | OAO | CAW | 154.2° | 150.0° |
CAV | CAK | H14 | H15 | 119.9° | 120.1° |
CAV | CAK | CAB | H16 | 180.0° | 180.0° |
CAV | CAK | CAB | H17 | 60.0° | 60.0° |
CAV | CAK | CAB | H18 | 60.0° | 60.0° |
CAK | CAV | CAJ | H19 | 80.7° | 55.0° |
CAK | CAV | CAJ | H20 | 161.1° | 65.0° |
CAB | CAK | CAV | OAO | 33.9° | 65.0° |
CAB | CAK | CAV | H13 | 83.7° | 55.1° |
CAB | CAK | H14 | H15 | 119.9° | 120.0° |
CAK | CAB | H16 | H17 | 120.0° | 120.0° |
CAK | CAB | H16 | H18 | 120.0° | 120.0° |
CAK | CAB | H17 | H18 | 120.0° | 120.1° |
CAV | OAO | CAW | CAX | 118.3° | 150.0° |
CAV | OAO | CAW | CAL | 122.4° | 90.9° |
CAV | OAO | CAW | H12 | 2.4° | 29.6° |
OAO | CAV | CAK | H14 | 153.9° | 54.9° |
OAO | CAV | CAK | H15 | 86.1° | 175.0° |
OAO | CAV | CAJ | H19 | 155.5° | 175.0° |
OAO | CAV | CAJ | H20 | 37.2° | 55.0° |
CAT | NAM | CAS | H1 | 180.0° | 179.9° |
CAT | NAM | CAS | NAD | 177.1° | 180.0° |
CAT | NAM | CAS | SAP | 9.3° | 0.0° |
NAM | CAT | CAY | CAX | 104.2° | 117.5° |
NAM | CAT | CAY | SAP | 9.1° | 0.4° |
NAM | CAT | CAY | CAI | 127.2° | 118.6° |
CAS | NAM | CAT | CAY | 1.3° | 0.3° |
NAM | CAS | NAD | SAP | 172.6° | 179.9° |
NAM | CAS | SAP | CAY | 13.8° | 0.2° |
NAM | CAS | NAD | H2 | 172.6° | 180.0° |
CAT | CAY | CAX | NAN | 29.4° | 44.7° |
CAT | CAY | SAP | CAS | 12.3° | 0.3° |
CAT | CAY | CAX | CAW | 84.7° | 75.1° |
CAT | CAY | CAX | SAP | 103.8° | 114.1° |
CAT | CAY | CAX | CAI | 131.5° | 123.8° |
CAT | CAY | SAP | CAI | 120.3° | 118.8° |
CAT | CAY | CAI | CAU | 114.7° | 107.2° |
CAY | CAT | NAM | H1 | 178.7° | 179.8° |
CAT | CAY | CAX | H3 | 151.2° | 165.2° |
CAT | CAY | CAI | H8 | 65.3° | 72.8° |
CAQ | NAN | CAX | H4 | 180.0° | 180.0° |
CAQ | NAN | CAX | CAW | 137.8° | 85.9° |
CAQ | NAN | CAX | CAY | 104.0° | 155.1° |
CAQ | NAN | CAX | H3 | 16.6° | 34.6° |
NAN | CAQ | CAC | H5 | 179.6° | 0.1° |
NAN | CAQ | CAC | H6 | 60.4° | 120.1° |
NAN | CAQ | CAC | H7 | 59.6° | 120.0° |
CAX | NAN | CAQ | OAE | 1.0° | 0.0° |
NAN | CAX | CAW | OAO | 65.9° | 53.4° |
NAN | CAX | CAW | CAY | 114.9° | 119.8° |
NAN | CAX | CAW | H3 | 121.7° | 120.5° |
NAN | CAX | CAW | CAL | 176.4° | 173.1° |
NAN | CAX | CAY | H3 | 121.8° | 120.4° |
NAN | CAX | CAY | SAP | 74.4° | 69.3° |
NAN | CAX | CAY | CAI | 160.9° | 168.5° |
NAN | CAX | CAW | H12 | 55.4° | 67.2° |
OAE | CAQ | NAN | H4 | 179.0° | 180.0° |
OAE | CAQ | CAC | H5 | 0.0° | 180.0° |
OAE | CAQ | CAC | H6 | 120.0° | 60.0° |
OAE | CAQ | CAC | H7 | 120.0° | 60.0° |
NAD | CAS | SAP | CAY | 173.0° | 179.8° |
NAD | CAS | NAM | H1 | 2.9° | 0.1° |
CAS | SAP | CAY | CAX | 104.6° | 118.1° |
CAS | SAP | CAY | CAI | 132.5° | 119.1° |
SAP | CAS | NAM | H1 | 170.6° | 180.0° |
SAP | CAS | NAD | H2 | 0.0° | 0.0° |
OAO | CAW | CAX | CAL | 117.7° | 119.7° |
OAO | CAW | CAX | H12 | 121.3° | 120.6° |
OAO | CAW | CAL | H12 | 120.8° | 120.6° |
OAO | CAW | CAX | CAY | 179.2° | 173.2° |
OAO | CAW | CAL | CAU | 162.2° | 169.8° |
OAO | CAW | CAX | H3 | 55.8° | 67.1° |
OAO | CAW | CAL | H10 | 41.2° | 69.9° |
OAO | CAW | CAL | H11 | 76.8° | 49.6° |
CAW | OAO | CAV | H13 | 37.1° | 29.9° |
CAX | CAW | CAL | H12 | 121.1° | 119.7° |
CAW | CAX | CAY | H3 | 124.1° | 119.7° |
CAW | CAX | CAY | SAP | 171.5° | 170.8° |
CAW | CAX | CAY | CAI | 46.8° | 48.7° |
CAX | CAW | CAL | CAU | 44.0° | 50.1° |
CAW | CAX | NAN | H4 | 42.2° | 94.1° |
CAX | CAW | CAL | H10 | 76.9° | 170.4° |
CAX | CAW | CAL | H11 | 165.0° | 70.1° |
CAL | CAW | CAX | CAY | 61.5° | 67.1° |
CAW | CAL | CAU | H10 | 121.0° | 120.3° |
CAW | CAL | CAU | H11 | 121.0° | 120.1° |
CAW | CAL | CAU | CAI | 12.8° | 17.9° |
CAW | CAL | CAU | CAR | 153.7° | 162.1° |
CAL | CAW | CAX | H3 | 61.9° | 52.6° |
CAW | CAL | H10 | H11 | 116.9° | 119.4° |
CAX | CAY | SAP | CAI | 122.8° | 122.8° |
CAX | CAY | CAI | CAU | 15.7° | 16.4° |
CAY | CAX | NAN | H4 | 76.0° | 25.0° |
CAX | CAY | CAI | H8 | 164.3° | 163.5° |
CAY | CAX | CAW | H12 | 59.5° | 52.6° |
SAP | CAY | CAI | CAU | 138.2° | 138.5° |
SAP | CAY | CAX | H3 | 47.4° | 51.1° |
SAP | CAY | CAI | H8 | 41.8° | 41.5° |
CAY | CAI | CAU | CAL | 1.2° | 0.5° |
CAY | CAI | CAU | H8 | 180.0° | 180.0° |
CAY | CAI | CAU | CAR | 166.5° | 179.5° |
CAI | CAY | CAX | H3 | 77.3° | 71.0° |
CAL | CAU | CAI | CAR | 165.2° | 180.0° |
CAL | CAU | CAR | OAH | 5.1° | 180.0° |
CAL | CAU | CAR | OAF | 175.1° | 0.0° |
CAL | CAU | CAI | H8 | 178.8° | 179.5° |
CAU | CAL | H10 | H11 | 116.9° | 119.7° |
CAU | CAL | CAW | H12 | 77.0° | 69.6° |
CAI | CAU | CAR | OAH | 160.7° | 0.0° |
CAI | CAU | CAR | OAF | 19.1° | 180.0° |
CAI | CAU | CAL | H10 | 108.2° | 138.1° |
CAI | CAU | CAL | H11 | 133.7° | 102.2° |
CAU | CAR | OAH | OAF | 179.8° | 180.0° |
CAR | CAU | CAI | H8 | 13.5° | 0.5° |
CAU | CAR | OAF | H9 | 179.8° | 180.0° |
CAR | CAU | CAL | H10 | 85.3° | 41.9° |
CAR | CAU | CAL | H11 | 32.7° | 77.8° |
OAH | CAR | OAF | H9 | 0.0° | 0.0° |
H3 | CAX | NAN | H4 | 163.4° | 145.5° |
H3 | CAX | CAW | H12 | 177.1° | 172.3° |
H5 | CAC | H6 | H7 | 120.0° | 120.0° |
H10 | CAL | CAW | H12 | 162.0° | 50.7° |
H11 | CAL | CAW | H12 | 44.0° | 170.2° |
H13 | CAV | CAK | H14 | 36.3° | 175.0° |
H13 | CAV | CAK | H15 | 156.3° | 64.9° |
H13 | CAV | CAJ | H19 | 35.9° | 65.0° |
H13 | CAV | CAJ | H20 | 82.3° | 175.0° |
H14 | CAK | CAB | H16 | 60.0° | 60.0° |
H14 | CAK | CAB | H17 | 179.9° | 180.0° |
H14 | CAK | CAB | H18 | 60.0° | 59.9° |
H15 | CAK | CAB | H16 | 60.0° | 60.0° |
H15 | CAK | CAB | H17 | 60.0° | 60.0° |
H15 | CAK | CAB | H18 | 180.0° | 179.9° |
H16 | CAB | H17 | H18 | 120.0° | 120.0° |
H19 | CAJ | CAA | H21 | 59.1° | 180.0° |
H19 | CAJ | CAA | H22 | 179.1° | 60.1° |
H19 | CAJ | CAA | H23 | 60.9° | 60.0° |
H20 | CAJ | CAA | H21 | 59.1° | 60.1° |
H20 | CAJ | CAA | H22 | 60.9° | NaN° |
H20 | CAJ | CAA | H23 | 179.1° | 59.9° |
H21 | CAA | H22 | H23 | 120.0° | 120.0° |