DV8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAP | CAL | doub | 1.29Å | 1.34Å | Aromatic |
NAP | CAW | sing | 1.31Å | 1.35Å | Aromatic |
CAL | SAS | sing | 1.71Å | 1.65Å | Aromatic |
CAB | CAW | sing | 1.51Å | 1.54Å | |
CAW | CAZ | doub | 1.35Å | 1.35Å | Aromatic |
SAS | CAZ | sing | 1.76Å | 1.66Å | Aromatic |
CAZ | CAY | sing | 1.48Å | 1.35Å | |
CAY | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
CAY | CAK | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAX | doub | 1.38Å | 1.40Å | Aromatic |
CAI | CAX | sing | 1.38Å | 1.40Å | Aromatic |
CAX | CAM | sing | 1.51Å | 1.42Å | |
CAM | NAQ | sing | 1.46Å | 1.47Å | |
NAQ | CAU | sing | 1.35Å | 1.36Å | |
CAN | CBC | sing | 1.54Å | 1.54Å | |
CAN | CBA | sing | 1.55Å | 1.51Å | |
CAU | SAF | doub | 1.60Å | 1.68Å | |
CAU | CBC | sing | 1.51Å | 1.42Å | |
CBC | NBD | sing | 1.47Å | 1.54Å | |
CBA | OAE | sing | 1.43Å | 1.44Å | |
CBA | CAO | sing | 1.55Å | 1.51Å | |
NBD | CAO | sing | 1.47Å | 1.50Å | |
NBD | CAV | sing | 1.35Å | 1.36Å | |
SAG | CAV | doub | 1.60Å | 1.65Å | |
CAV | CBB | sing | 1.51Å | 1.56Å | |
CBB | CAC | sing | 1.53Å | 1.53Å | |
CBB | NAR | sing | 1.47Å | 1.48Å | |
NAR | CAT | sing | 1.35Å | 1.35Å | |
OAD | CAT | doub | 1.21Å | 1.23Å | |
CAT | CAA | sing | 1.51Å | 1.53Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
NAR | H4 | sing | 0.97Å | 1.00Å | |
CBB | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
CAC | H7 | sing | 1.09Å | 1.10Å | |
CAC | H8 | sing | 1.09Å | 1.10Å | |
CAO | H9 | sing | 1.09Å | 1.10Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CBA | H11 | sing | 1.09Å | 1.10Å | |
OAE | H12 | sing | 0.97Å | 0.95Å | |
CAN | H13 | sing | 1.09Å | 1.10Å | |
CAN | H14 | sing | 1.09Å | 1.10Å | |
CBC | H15 | sing | 1.09Å | 1.10Å | |
NAQ | H16 | sing | 0.97Å | 1.00Å | |
CAM | H17 | sing | 1.09Å | 1.10Å | |
CAM | H18 | sing | 1.09Å | 1.10Å | |
CAI | H19 | sing | 1.08Å | 1.08Å | |
CAK | H20 | sing | 1.08Å | 1.08Å | |
CAH | H21 | sing | 1.08Å | 1.08Å | |
CAJ | H22 | sing | 1.08Å | 1.08Å | |
CAL | H23 | sing | 1.08Å | 1.08Å | |
CAB | H24 | sing | 1.09Å | 1.10Å | |
CAB | H25 | sing | 1.09Å | 1.10Å | |
CAB | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAL | NAP | CAW | 114.6° | 117.3° |
NAP | CAL | SAS | 107.6° | 110.3° |
NAP | CAL | H23 | 126.2° | 124.8° |
NAP | CAW | CAB | 119.6° | 122.8° |
NAP | CAW | CAZ | 114.4° | 114.2° |
CAL | SAS | CAZ | 96.4° | 90.4° |
SAS | CAL | H23 | 126.2° | 124.9° |
CAB | CAW | CAZ | 126.0° | 122.9° |
CAW | CAB | H24 | 109.5° | 109.5° |
CAW | CAB | H25 | 109.5° | 109.4° |
CAW | CAB | H26 | 109.5° | 109.5° |
CAW | CAZ | SAS | 106.9° | 107.8° |
CAW | CAZ | CAY | 129.1° | 126.1° |
SAS | CAZ | CAY | 124.0° | 126.1° |
CAZ | CAY | CAJ | 122.2° | 120.1° |
CAZ | CAY | CAK | 120.0° | 120.1° |
CAJ | CAY | CAK | 117.8° | 119.7° |
CAY | CAJ | CAH | 120.8° | 119.8° |
CAY | CAJ | H22 | 119.6° | 120.1° |
CAY | CAK | CAI | 121.5° | 119.9° |
CAY | CAK | H20 | 119.3° | 120.1° |
CAJ | CAH | CAX | 121.5° | 120.2° |
CAJ | CAH | H21 | 119.3° | 119.9° |
CAH | CAJ | H22 | 119.6° | 120.1° |
CAK | CAI | CAX | 120.9° | 120.1° |
CAK | CAI | H19 | 119.5° | 120.0° |
CAI | CAK | H20 | 119.2° | 120.1° |
CAH | CAX | CAI | 117.5° | 120.2° |
CAH | CAX | CAM | 118.8° | 119.9° |
CAX | CAH | H21 | 119.2° | 119.9° |
CAI | CAX | CAM | 123.7° | 119.9° |
CAX | CAI | H19 | 119.6° | 119.9° |
CAX | CAM | NAQ | 110.5° | 109.5° |
CAX | CAM | H17 | 109.2° | 109.5° |
CAX | CAM | H18 | 109.2° | 109.5° |
CAM | NAQ | CAU | 123.2° | 120.0° |
CAM | NAQ | H16 | 118.4° | 120.0° |
NAQ | CAM | H17 | 109.2° | 109.5° |
NAQ | CAM | H18 | 109.2° | 109.5° |
NAQ | CAU | SAF | 123.0° | 120.0° |
NAQ | CAU | CBC | 118.4° | 120.0° |
CAU | NAQ | H16 | 118.4° | 120.0° |
CBC | CAN | CBA | 105.3° | 103.0° |
CAN | CBC | CAU | 108.4° | 109.9° |
CAN | CBC | NBD | 104.6° | 107.3° |
CBC | CAN | H13 | 110.5° | 110.7° |
CBC | CAN | H14 | 110.5° | 110.7° |
CAN | CBC | H15 | 108.6° | 109.9° |
CAN | CBA | OAE | 110.0° | 111.0° |
CAN | CBA | CAO | 103.2° | 101.6° |
CAN | CBA | H11 | 110.8° | 111.1° |
CBA | CAN | H13 | 110.5° | 111.0° |
CBA | CAN | H14 | 110.5° | 110.4° |
SAF | CAU | CBC | 118.6° | 120.0° |
CAU | CBC | NBD | 116.1° | 110.2° |
CAU | CBC | H15 | 110.2° | 110.0° |
CBC | NBD | CAO | 106.8° | 108.7° |
CBC | NBD | CAV | 126.7° | 125.6° |
NBD | CBC | H15 | 108.6° | 109.6° |
OAE | CBA | CAO | 109.6° | 111.0° |
OAE | CBA | H11 | 111.9° | 110.9° |
CBA | OAE | H12 | 109.5° | 114.0° |
CBA | CAO | NBD | 104.4° | 104.8° |
CBA | CAO | H9 | 110.7° | 110.4° |
CBA | CAO | H10 | 110.7° | 110.5° |
CAO | CBA | H11 | 110.9° | 111.0° |
CAO | NBD | CAV | 126.4° | 125.7° |
NBD | CAO | H9 | 110.7° | 110.4° |
NBD | CAO | H10 | 110.7° | 110.4° |
NBD | CAV | SAG | 122.1° | 120.0° |
NBD | CAV | CBB | 120.4° | 120.0° |
SAG | CAV | CBB | 117.3° | 120.0° |
CAV | CBB | CAC | 108.0° | 109.5° |
CAV | CBB | NAR | 112.0° | 109.4° |
CAV | CBB | H5 | 108.8° | 109.5° |
CAC | CBB | NAR | 109.0° | 109.4° |
CAC | CBB | H5 | 109.1° | 109.5° |
CBB | CAC | H6 | 109.5° | 109.5° |
CBB | CAC | H7 | 109.5° | 109.5° |
CBB | CAC | H8 | 109.5° | 109.5° |
CBB | NAR | CAT | 122.5° | 120.0° |
CBB | NAR | H4 | 118.8° | 120.0° |
NAR | CBB | H5 | 109.9° | 109.5° |
NAR | CAT | OAD | 125.1° | 120.0° |
NAR | CAT | CAA | 114.7° | 120.0° |
CAT | NAR | H4 | 118.7° | 120.0° |
OAD | CAT | CAA | 120.2° | 120.0° |
CAT | CAA | H1 | 109.5° | 109.5° |
CAT | CAA | H2 | 109.5° | 109.5° |
CAT | CAA | H3 | 109.5° | 109.5° |
H1 | CAA | H2 | 109.4° | 109.5° |
H1 | CAA | H3 | 109.5° | 109.4° |
H2 | CAA | H3 | 109.5° | 109.4° |
H6 | CAC | H7 | 109.5° | 109.4° |
H6 | CAC | H8 | 109.5° | 109.5° |
H7 | CAC | H8 | 109.4° | 109.5° |
H9 | CAO | H10 | 109.5° | 110.3° |
H13 | CAN | H14 | 109.5° | 110.8° |
H17 | CAM | H18 | 109.5° | 109.4° |
H24 | CAB | H25 | 109.5° | 109.5° |
H24 | CAB | H26 | 109.5° | 109.5° |
H25 | CAB | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAP | CAL | SAS | H23 | 180.0° | 180.0° |
CAL | NAP | CAW | CAB | 179.8° | 179.9° |
CAL | NAP | CAW | CAZ | 0.4° | 0.5° |
NAP | CAL | SAS | CAZ | 0.3° | 0.0° |
CAW | NAP | CAL | SAS | 0.0° | 0.3° |
NAP | CAW | CAB | CAZ | 179.8° | 179.5° |
NAP | CAW | CAZ | SAS | 0.6° | 0.4° |
NAP | CAW | CAZ | CAY | 179.9° | 179.8° |
CAW | NAP | CAL | H23 | 180.0° | 179.7° |
NAP | CAW | CAB | H24 | 0.0° | 95.3° |
NAP | CAW | CAB | H25 | 120.0° | 144.8° |
NAP | CAW | CAB | H26 | 120.0° | 24.8° |
CAL | SAS | CAZ | CAW | 0.5° | 0.2° |
CAL | SAS | CAZ | CAY | 179.8° | 180.0° |
CAB | CAW | CAZ | SAS | 179.6° | 180.0° |
CAB | CAW | CAZ | CAY | 0.3° | 0.2° |
CAW | CAB | H24 | H25 | 120.0° | 120.0° |
CAW | CAB | H24 | H26 | 120.0° | 120.1° |
CAW | CAB | H25 | H26 | 120.0° | 120.0° |
CAW | CAZ | SAS | CAY | 179.3° | 179.7° |
CAW | CAZ | CAY | CAJ | 46.3° | 47.5° |
CAW | CAZ | CAY | CAK | 134.9° | 132.7° |
CAZ | CAW | CAB | H24 | 179.7° | 85.2° |
CAZ | CAW | CAB | H25 | 59.7° | 34.8° |
CAZ | CAW | CAB | H26 | 60.2° | 154.8° |
SAS | CAZ | CAY | CAJ | 134.6° | 132.2° |
SAS | CAZ | CAY | CAK | 44.3° | 47.6° |
CAZ | SAS | CAL | H23 | 179.7° | 180.0° |
CAZ | CAY | CAJ | CAK | 178.9° | 179.7° |
CAZ | CAY | CAJ | CAH | 180.0° | 180.0° |
CAZ | CAY | CAK | CAI | 180.0° | 180.0° |
CAZ | CAY | CAK | H20 | 0.0° | 0.0° |
CAZ | CAY | CAJ | H22 | 0.0° | 0.0° |
CAY | CAJ | CAH | H22 | 180.0° | 180.0° |
CAJ | CAY | CAK | CAI | 1.1° | 0.3° |
CAY | CAJ | CAH | CAX | 0.8° | 0.0° |
CAJ | CAY | CAK | H20 | 178.9° | 179.8° |
CAY | CAJ | CAH | H21 | 179.1° | 180.0° |
CAK | CAY | CAJ | CAH | 1.1° | 0.3° |
CAY | CAK | CAI | H20 | 180.0° | 180.0° |
CAY | CAK | CAI | CAX | 0.9° | 0.0° |
CAY | CAK | CAI | H19 | 179.1° | 180.0° |
CAK | CAY | CAJ | H22 | 178.9° | 179.7° |
CAJ | CAH | CAX | H21 | 180.0° | 180.0° |
CAJ | CAH | CAX | CAI | 0.6° | 0.2° |
CAJ | CAH | CAX | CAM | 179.9° | 180.0° |
CAK | CAI | CAX | CAH | 0.6° | 0.2° |
CAK | CAI | CAX | H19 | 180.0° | 180.0° |
CAK | CAI | CAX | CAM | 179.9° | 180.0° |
CAH | CAX | CAI | CAM | 179.5° | 179.7° |
CAH | CAX | CAM | NAQ | 156.2° | 90.3° |
CAH | CAX | CAM | H17 | 83.6° | 149.7° |
CAH | CAX | CAM | H18 | 36.0° | 29.8° |
CAH | CAX | CAI | H19 | 179.4° | 179.8° |
CAX | CAH | CAJ | H22 | 179.2° | 180.0° |
CAI | CAX | CAM | NAQ | 24.3° | 90.0° |
CAI | CAX | CAM | H17 | 95.9° | 30.0° |
CAI | CAX | CAM | H18 | 144.5° | 150.0° |
CAX | CAI | CAK | H20 | 179.1° | 180.0° |
CAI | CAX | CAH | H21 | 179.4° | 179.8° |
CAX | CAM | NAQ | H17 | 120.2° | 120.0° |
CAX | CAM | NAQ | H18 | 120.2° | 120.0° |
CAX | CAM | NAQ | CAU | 96.6° | 180.0° |
CAX | CAM | NAQ | H16 | 83.4° | 0.0° |
CAX | CAM | H17 | H18 | 119.5° | 120.0° |
CAM | CAX | CAI | H19 | 0.1° | 0.0° |
CAM | CAX | CAH | H21 | 0.1° | 0.0° |
CAM | NAQ | CAU | H16 | 180.0° | 179.9° |
CAM | NAQ | CAU | SAF | 0.8° | 0.0° |
CAM | NAQ | CAU | CBC | 178.3° | 180.0° |
NAQ | CAM | H17 | H18 | 119.5° | 120.0° |
NAQ | CAU | CBC | CAN | 84.3° | 66.5° |
NAQ | CAU | SAF | CBC | 177.5° | 180.0° |
NAQ | CAU | CBC | NBD | 158.4° | 175.5° |
NAQ | CAU | CBC | H15 | 34.4° | 54.6° |
CAU | NAQ | CAM | H17 | 143.2° | 60.0° |
CAU | NAQ | CAM | H18 | 23.6° | 60.0° |
CBC | CAN | CBA | H13 | 119.3° | 118.5° |
CBC | CAN | CBA | H14 | 119.3° | 118.3° |
CAN | CBC | CAU | SAF | 93.3° | 113.6° |
CAN | CBC | CAU | NBD | 117.3° | 118.0° |
CAN | CBC | CAU | H15 | 118.7° | 121.1° |
CAN | CBC | NBD | H15 | 115.8° | 119.3° |
CBC | CAN | CBA | OAE | 80.5° | 82.7° |
CBC | CAN | CBA | CAO | 36.3° | 35.3° |
CAN | CBC | NBD | CAO | 5.1° | 1.4° |
CAN | CBC | NBD | CAV | 170.8° | 178.9° |
CBC | CAN | CBA | H11 | 155.1° | 153.4° |
CBC | CAN | H13 | H14 | 121.9° | 123.2° |
CBA | CAN | CBC | CAU | 143.8° | 141.6° |
CBA | CAN | CBC | NBD | 19.3° | 21.9° |
CAN | CBA | OAE | CAO | 112.8° | 112.2° |
CAN | CBA | OAE | H11 | 123.7° | 124.0° |
CAN | CBA | CAO | H11 | 118.8° | 118.1° |
CAN | CBA | CAO | NBD | 39.5° | 37.0° |
CAN | CBA | CAO | H9 | 79.7° | 155.9° |
CAN | CBA | CAO | H10 | 158.7° | 81.9° |
CAN | CBA | OAE | H12 | 180.0° | 173.7° |
CBA | CAN | H13 | H14 | 121.9° | 123.0° |
CBA | CAN | CBC | H15 | 96.5° | 97.2° |
SAF | CAU | CBC | NBD | 24.0° | 4.4° |
SAF | CAU | CBC | H15 | 148.0° | 125.4° |
SAF | CAU | NAQ | H16 | 179.2° | 180.0° |
CAU | CBC | NBD | H15 | 124.8° | 121.2° |
CAU | CBC | NBD | CAO | 114.3° | 118.2° |
CAU | CBC | NBD | CAV | 69.8° | 61.5° |
CAU | CBC | CAN | H13 | 24.4° | 99.7° |
CAU | CBC | CAN | H14 | 96.9° | 23.6° |
CBC | CAU | NAQ | H16 | 1.7° | 0.1° |
CBC | NBD | CAO | CBA | 27.6° | 24.3° |
CBC | NBD | CAO | CAV | 175.9° | 179.7° |
CBC | NBD | CAV | SAG | 3.9° | 0.3° |
CBC | NBD | CAV | CBB | 179.4° | 179.7° |
CBC | NBD | CAO | H9 | 91.6° | 143.2° |
CBC | NBD | CAO | H10 | 146.8° | 94.6° |
NBD | CBC | CAN | H13 | 100.1° | 140.6° |
NBD | CBC | CAN | H14 | 138.6° | 96.2° |
OAE | CBA | CAO | H11 | 124.1° | 123.7° |
OAE | CBA | CAO | NBD | 77.6° | 81.1° |
OAE | CBA | CAO | H9 | 163.2° | 37.7° |
OAE | CBA | CAO | H10 | 41.5° | 160.0° |
OAE | CBA | CAN | H13 | 160.1° | 35.7° |
OAE | CBA | CAN | H14 | 38.8° | 159.0° |
CBA | CAO | NBD | H9 | 119.2° | 118.9° |
CBA | CAO | NBD | H10 | 119.2° | 118.9° |
CBA | CAO | NBD | CAV | 148.3° | 156.0° |
CBA | CAO | H9 | H10 | 122.4° | 122.4° |
CAO | CBA | OAE | H12 | 67.2° | 61.4° |
CAO | CBA | CAN | H13 | 83.0° | 153.8° |
CAO | CBA | CAN | H14 | 155.7° | 83.0° |
CAO | NBD | CAV | SAG | 179.0° | 180.0° |
CAO | NBD | CAV | CBB | 5.5° | 0.1° |
NBD | CAO | H9 | H10 | 122.3° | 122.2° |
NBD | CAO | CBA | H11 | 158.3° | 155.1° |
CAO | NBD | CBC | H15 | 120.9° | 120.7° |
NBD | CAV | SAG | CBB | 175.7° | 179.9° |
NBD | CAV | CBB | CAC | 81.3° | 65.1° |
NBD | CAV | CBB | NAR | 158.7° | 175.0° |
NBD | CAV | CBB | H5 | 37.0° | 55.0° |
CAV | NBD | CAO | H9 | 92.5° | 37.1° |
CAV | NBD | CAO | H10 | 29.1° | 85.1° |
CAV | NBD | CBC | H15 | 55.0° | 59.6° |
SAG | CAV | CBB | CAC | 94.4° | 115.0° |
SAG | CAV | CBB | NAR | 25.6° | 4.9° |
SAG | CAV | CBB | H5 | 147.3° | 124.9° |
CAV | CBB | CAC | NAR | 121.9° | 119.9° |
CAV | CBB | CAC | H5 | 118.1° | 120.1° |
CAV | CBB | NAR | H5 | 121.1° | 120.0° |
CAV | CBB | NAR | CAT | 84.0° | 155.0° |
CAV | CBB | NAR | H4 | 96.0° | 24.9° |
CAV | CBB | CAC | H6 | 180.0° | 59.9° |
CAV | CBB | CAC | H7 | 60.0° | 60.0° |
CAV | CBB | CAC | H8 | 60.0° | 180.0° |
CAC | CBB | NAR | H5 | 119.5° | 120.0° |
CAC | CBB | NAR | CAT | 156.6° | 85.0° |
CAC | CBB | NAR | H4 | 23.4° | 95.0° |
CBB | CAC | H6 | H7 | 120.0° | 120.0° |
CBB | CAC | H6 | H8 | 120.0° | 120.0° |
CBB | CAC | H7 | H8 | 120.0° | 120.0° |
CBB | NAR | CAT | H4 | 180.0° | 179.9° |
CBB | NAR | CAT | OAD | 0.0° | 0.1° |
CBB | NAR | CAT | CAA | 179.7° | 180.0° |
NAR | CBB | CAC | H6 | 58.1° | 60.0° |
NAR | CBB | CAC | H7 | 61.9° | 180.0° |
NAR | CBB | CAC | H8 | 178.1° | 60.0° |
NAR | CAT | OAD | CAA | 179.7° | 179.9° |
NAR | CAT | CAA | H1 | 179.7° | 179.9° |
NAR | CAT | CAA | H2 | 59.7° | 60.0° |
NAR | CAT | CAA | H3 | 60.3° | 59.9° |
CAT | NAR | CBB | H5 | 37.1° | 35.0° |
OAD | CAT | CAA | H1 | 0.0° | 0.0° |
OAD | CAT | CAA | H2 | 120.0° | 120.1° |
OAD | CAT | CAA | H3 | 120.0° | 120.0° |
OAD | CAT | NAR | H4 | 180.0° | 180.0° |
CAT | CAA | H1 | H2 | 120.0° | 120.0° |
CAT | CAA | H1 | H3 | 120.0° | 120.0° |
CAT | CAA | H2 | H3 | 120.0° | 120.0° |
CAA | CAT | NAR | H4 | 0.3° | 0.1° |
H1 | CAA | H2 | H3 | 120.0° | 119.9° |
H4 | NAR | CBB | H5 | 142.9° | 145.0° |
H5 | CBB | CAC | H6 | 61.9° | 180.0° |
H5 | CBB | CAC | H7 | 178.1° | 60.0° |
H5 | CBB | CAC | H8 | 58.2° | 60.0° |
H6 | CAC | H7 | H8 | 120.0° | 120.0° |
H9 | CAO | CBA | H11 | 39.1° | 86.0° |
H10 | CAO | CBA | H11 | 82.5° | 36.3° |
H11 | CBA | OAE | H12 | 56.3° | 62.4° |
H11 | CBA | CAN | H13 | 35.8° | 88.1° |
H11 | CBA | CAN | H14 | 85.5° | 35.1° |
H13 | CAN | CBC | H15 | 144.2° | 21.5° |
H14 | CAN | CBC | H15 | 22.8° | 144.7° |
H16 | NAQ | CAM | H17 | 36.8° | 120.0° |
H16 | NAQ | CAM | H18 | 156.5° | 120.1° |
H19 | CAI | CAK | H20 | 0.9° | 0.0° |
H21 | CAH | CAJ | H22 | 0.9° | 0.0° |
H24 | CAB | H25 | H26 | 120.0° | 120.0° |