FVW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAX | CAU | sing | 1.35Å | 1.22Å | |
CAU | NAV | doub | 1.32Å | 1.33Å | Aromatic |
CAU | CAT | sing | 1.39Å | 1.40Å | Aromatic |
NAV | CAW | sing | 1.32Å | 1.37Å | Aromatic |
CAT | CAS | doub | 1.38Å | 1.38Å | Aromatic |
OBB | CAJ | doub | 1.21Å | 1.28Å | |
OBD | CAN | doub | 1.21Å | 1.27Å | |
CAJ | OBC | sing | 1.34Å | 1.27Å | |
CAJ | CAG | sing | 1.51Å | 1.52Å | |
CAN | OBE | sing | 1.34Å | 1.27Å | |
CAN | CAL | sing | 1.51Å | 1.55Å | |
CAW | CAR | doub | 1.39Å | 1.38Å | Aromatic |
CAS | CAR | sing | 1.39Å | 1.39Å | Aromatic |
CAL | CAK | sing | 1.53Å | 1.51Å | |
CAK | CAG | sing | 1.53Å | 1.55Å | |
CAR | NAQ | sing | 1.40Å | 1.36Å | |
CAG | NAF | sing | 1.47Å | 1.44Å | |
OAH | CAE | doub | 1.22Å | 1.27Å | |
CAM | CAO | sing | 1.51Å | 1.50Å | |
CAM | CAD | sing | 1.53Å | 1.54Å | |
NAF | CAE | sing | 1.35Å | 1.32Å | |
NAQ | CAO | sing | 1.35Å | 1.36Å | |
NAQ | CAY | sing | 1.47Å | 1.47Å | |
CAE | N | sing | 1.35Å | 1.32Å | |
CAO | OAP | doub | 1.21Å | 1.22Å | |
CAD | CB | sing | 1.53Å | 1.54Å | |
CB | CA | sing | 1.53Å | 1.57Å | |
N | CA | sing | 1.46Å | 1.43Å | |
CA | C | sing | 1.51Å | 1.54Å | |
C | O | doub | 1.21Å | 1.26Å | |
C | OXT | sing | 1.34Å | 1.24Å | |
OBE | H1 | sing | 0.97Å | 0.95Å | |
CAL | H2 | sing | 1.09Å | 1.10Å | |
CAL | H3 | sing | 1.09Å | 1.10Å | |
CAK | H4 | sing | 1.09Å | 1.10Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
CAG | H6 | sing | 1.09Å | 1.10Å | |
OBC | H7 | sing | 0.97Å | 0.95Å | |
NAF | H8 | sing | 0.97Å | 1.00Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
CA | H10 | sing | 1.09Å | 1.10Å | |
OXT | H11 | sing | 0.97Å | 0.95Å | |
CB | H12 | sing | 1.09Å | 1.10Å | |
CB | H13 | sing | 1.09Å | 1.10Å | |
CAD | H14 | sing | 1.09Å | 1.10Å | |
CAD | H15 | sing | 1.09Å | 1.10Å | |
CAM | H16 | sing | 1.09Å | 1.10Å | |
CAM | H17 | sing | 1.09Å | 1.10Å | |
CAY | H18 | sing | 1.09Å | 1.10Å | |
CAY | H19 | sing | 1.09Å | 1.10Å | |
CAY | H20 | sing | 1.09Å | 1.10Å | |
CAS | H21 | sing | 1.08Å | 1.08Å | |
CAT | H22 | sing | 1.08Å | 1.08Å | |
CAW | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAX | CAU | NAV | 117.1° | 119.5° |
FAX | CAU | CAT | 120.1° | 119.5° |
NAV | CAU | CAT | 122.8° | 120.9° |
CAU | NAV | CAW | 118.9° | 121.7° |
CAU | CAT | CAS | 118.2° | 119.2° |
CAU | CAT | H22 | 120.9° | 120.4° |
NAV | CAW | CAR | 121.3° | 120.7° |
NAV | CAW | H23 | 119.3° | 119.6° |
CAT | CAS | CAR | 119.7° | 118.5° |
CAT | CAS | H21 | 120.1° | 120.7° |
CAS | CAT | H22 | 120.9° | 120.4° |
OBB | CAJ | OBC | 123.7° | 120.0° |
OBB | CAJ | CAG | 117.7° | 120.0° |
OBD | CAN | OBE | 123.3° | 120.0° |
OBD | CAN | CAL | 121.7° | 120.0° |
OBC | CAJ | CAG | 118.0° | 120.0° |
CAJ | OBC | H7 | 109.5° | 117.0° |
CAJ | CAG | CAK | 109.9° | 109.5° |
CAJ | CAG | NAF | 106.1° | 109.5° |
CAJ | CAG | H6 | 109.1° | 109.5° |
OBE | CAN | CAL | 114.0° | 120.0° |
CAN | OBE | H1 | 109.5° | 117.0° |
CAN | CAL | CAK | 114.3° | 109.4° |
CAN | CAL | H2 | 108.2° | 109.5° |
CAN | CAL | H3 | 108.2° | 109.5° |
CAW | CAR | CAS | 119.1° | 119.1° |
CAW | CAR | NAQ | 118.3° | 120.4° |
CAR | CAW | H23 | 119.4° | 119.7° |
CAS | CAR | NAQ | 122.6° | 120.5° |
CAR | CAS | H21 | 120.2° | 120.8° |
CAL | CAK | CAG | 109.2° | 109.5° |
CAK | CAL | H2 | 108.3° | 109.5° |
CAK | CAL | H3 | 108.3° | 109.5° |
CAL | CAK | H4 | 109.5° | 109.5° |
CAL | CAK | H5 | 109.5° | 109.5° |
CAK | CAG | NAF | 112.9° | 109.4° |
CAG | CAK | H4 | 109.5° | 109.4° |
CAG | CAK | H5 | 109.5° | 109.5° |
CAK | CAG | H6 | 108.7° | 109.5° |
CAR | NAQ | CAO | 123.3° | 120.0° |
CAR | NAQ | CAY | 120.0° | 120.0° |
CAG | NAF | CAE | 121.5° | 120.0° |
NAF | CAG | H6 | 110.1° | 109.4° |
CAG | NAF | H8 | 119.2° | 120.0° |
OAH | CAE | NAF | 119.1° | 120.0° |
OAH | CAE | N | 126.4° | 120.0° |
CAO | CAM | CAD | 114.5° | 109.5° |
CAM | CAO | NAQ | 118.6° | 120.0° |
CAM | CAO | OAP | 117.3° | 120.0° |
CAO | CAM | H16 | 108.2° | 109.5° |
CAO | CAM | H17 | 108.2° | 109.5° |
CAM | CAD | CB | 110.3° | 109.5° |
CAM | CAD | H14 | 109.3° | 109.5° |
CAM | CAD | H15 | 109.3° | 109.5° |
CAD | CAM | H16 | 108.2° | 109.5° |
CAD | CAM | H17 | 108.2° | 109.5° |
NAF | CAE | N | 114.5° | 120.0° |
CAE | NAF | H8 | 119.3° | 120.0° |
CAO | NAQ | CAY | 116.2° | 120.0° |
NAQ | CAO | OAP | 123.5° | 120.0° |
NAQ | CAY | H18 | 109.5° | 109.4° |
NAQ | CAY | H19 | 109.5° | 109.5° |
NAQ | CAY | H20 | 109.5° | 109.5° |
CAE | N | CA | 121.0° | 120.0° |
CAE | N | H9 | 119.5° | 120.0° |
CAD | CB | CA | 113.6° | 109.5° |
CAD | CB | H12 | 108.5° | 109.5° |
CAD | CB | H13 | 108.4° | 109.4° |
CB | CAD | H14 | 109.3° | 109.5° |
CB | CAD | H15 | 109.3° | 109.4° |
CB | CA | N | 108.0° | 109.5° |
CB | CA | C | 110.0° | 109.5° |
CB | CA | H10 | 108.4° | 109.5° |
CA | CB | H12 | 108.4° | 109.5° |
CA | CB | H13 | 108.4° | 109.5° |
N | CA | C | 111.3° | 109.4° |
CA | N | H9 | 119.5° | 120.0° |
N | CA | H10 | 110.3° | 109.5° |
CA | C | O | 116.4° | 120.0° |
CA | C | OXT | 116.2° | 120.0° |
C | CA | H10 | 108.8° | 109.5° |
O | C | OXT | 127.3° | 120.1° |
C | OXT | H11 | 109.5° | 116.9° |
H2 | CAL | H3 | 109.5° | 109.5° |
H4 | CAK | H5 | 109.5° | 109.5° |
H12 | CB | H13 | 109.5° | 109.5° |
H14 | CAD | H15 | 109.5° | 109.5° |
H16 | CAM | H17 | 109.5° | 109.5° |
H18 | CAY | H19 | 109.5° | 109.5° |
H18 | CAY | H20 | 109.4° | 109.5° |
H19 | CAY | H20 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAX | CAU | NAV | CAT | 179.1° | 179.7° |
FAX | CAU | NAV | CAW | 179.1° | 180.0° |
FAX | CAU | CAT | CAS | 179.3° | 179.7° |
FAX | CAU | CAT | H22 | 0.8° | 0.3° |
NAV | CAU | CAT | CAS | 0.2° | 0.0° |
CAU | NAV | CAW | CAR | 0.1° | 0.6° |
NAV | CAU | CAT | H22 | 179.8° | 180.0° |
CAU | NAV | CAW | H23 | 179.9° | 179.9° |
CAT | CAU | NAV | CAW | 0.0° | 0.3° |
CAU | CAT | CAS | H22 | 180.0° | 180.0° |
CAU | CAT | CAS | CAR | 0.6° | 0.0° |
CAU | CAT | CAS | H21 | 179.5° | 180.0° |
NAV | CAW | CAR | H23 | 180.0° | 179.4° |
NAV | CAW | CAR | CAS | 0.5° | 0.6° |
NAV | CAW | CAR | NAQ | 179.6° | 179.7° |
CAT | CAS | CAR | CAW | 0.7° | 0.3° |
CAT | CAS | CAR | H21 | 180.0° | 180.0° |
CAT | CAS | CAR | NAQ | 179.4° | 180.0° |
OBB | CAJ | OBC | CAG | 171.3° | 179.9° |
OBB | CAJ | CAG | CAK | 76.4° | 120.0° |
OBB | CAJ | CAG | NAF | 161.3° | 0.0° |
OBB | CAJ | CAG | H6 | 42.7° | 119.9° |
OBB | CAJ | OBC | H7 | 0.0° | 0.1° |
OBD | CAN | OBE | CAL | 169.0° | 179.7° |
OBD | CAN | CAL | CAK | 35.3° | 0.1° |
OBD | CAN | OBE | H1 | 0.0° | 0.1° |
OBD | CAN | CAL | H2 | 85.4° | 120.0° |
OBD | CAN | CAL | H3 | 156.0° | 119.9° |
OBC | CAJ | CAG | CAK | 95.5° | 60.1° |
OBC | CAJ | CAG | NAF | 26.9° | 180.0° |
OBC | CAJ | CAG | H6 | 145.5° | 60.0° |
CAJ | CAG | CAK | CAL | 62.4° | 175.0° |
CAJ | CAG | CAK | NAF | 118.2° | 120.0° |
CAJ | CAG | CAK | H6 | 119.3° | 120.1° |
CAJ | CAG | NAF | H6 | 117.9° | 120.0° |
CAJ | CAG | NAF | CAE | 56.4° | 85.0° |
CAJ | CAG | CAK | H4 | 177.6° | 55.0° |
CAJ | CAG | CAK | H5 | 57.6° | 65.0° |
CAG | CAJ | OBC | H7 | 171.3° | 180.0° |
CAJ | CAG | NAF | H8 | 123.7° | 94.9° |
OBE | CAN | CAL | CAK | 155.5° | 179.7° |
OBE | CAN | CAL | H2 | 83.8° | 60.3° |
OBE | CAN | CAL | H3 | 34.8° | 59.7° |
CAN | CAL | CAK | H2 | 120.7° | 120.0° |
CAN | CAL | CAK | H3 | 120.7° | 120.0° |
CAN | CAL | CAK | CAG | 170.8° | 180.0° |
CAL | CAN | OBE | H1 | 169.0° | 179.7° |
CAN | CAL | H2 | H3 | 117.8° | 120.1° |
CAN | CAL | CAK | H4 | 69.2° | 60.1° |
CAN | CAL | CAK | H5 | 50.8° | 60.0° |
CAW | CAR | CAS | NAQ | 179.9° | 179.7° |
CAW | CAR | NAQ | CAO | 72.2° | 113.3° |
CAW | CAR | NAQ | CAY | 99.7° | 66.7° |
CAW | CAR | CAS | H21 | 179.4° | 179.7° |
CAS | CAR | NAQ | CAO | 107.8° | 67.0° |
CAS | CAR | NAQ | CAY | 80.2° | 113.0° |
CAR | CAS | CAT | H22 | 179.5° | 180.0° |
CAS | CAR | CAW | H23 | 179.5° | 180.0° |
CAL | CAK | CAG | H4 | 119.9° | 120.0° |
CAL | CAK | CAG | H5 | 120.0° | 120.0° |
CAL | CAK | CAG | NAF | 55.8° | 65.0° |
CAK | CAL | H2 | H3 | 117.8° | 120.0° |
CAL | CAK | H4 | H5 | 120.1° | 120.1° |
CAL | CAK | CAG | H6 | 178.3° | 54.9° |
CAK | CAG | NAF | H6 | 121.7° | 120.0° |
CAK | CAG | NAF | CAE | 176.7° | 155.0° |
CAG | CAK | CAL | H2 | 50.1° | 60.0° |
CAG | CAK | CAL | H3 | 68.5° | 60.0° |
CAG | CAK | H4 | H5 | 120.1° | 120.0° |
CAK | CAG | NAF | H8 | 3.3° | 25.0° |
CAR | NAQ | CAO | CAM | 8.1° | 174.8° |
CAR | NAQ | CAO | CAY | 172.2° | 179.9° |
CAR | NAQ | CAO | OAP | 179.3° | 5.3° |
CAR | NAQ | CAY | H18 | 180.0° | 90.0° |
CAR | NAQ | CAY | H19 | 60.0° | 30.0° |
CAR | NAQ | CAY | H20 | 60.0° | 150.0° |
NAQ | CAR | CAS | H21 | 0.6° | 0.0° |
NAQ | CAR | CAW | H23 | 0.4° | 0.3° |
CAG | NAF | CAE | OAH | 10.8° | 0.1° |
CAG | NAF | CAE | H8 | 180.0° | 179.9° |
CAG | NAF | CAE | N | 167.3° | 180.0° |
NAF | CAG | CAK | H4 | 64.1° | 175.0° |
NAF | CAG | CAK | H5 | 175.8° | 55.0° |
OAH | CAE | NAF | N | 178.1° | 179.9° |
OAH | CAE | N | CA | 9.4° | 0.0° |
OAH | CAE | NAF | H8 | 169.2° | 180.0° |
OAH | CAE | N | H9 | 170.6° | 180.0° |
CAO | CAM | CAD | H16 | 120.7° | 120.0° |
CAO | CAM | CAD | H17 | 120.7° | 120.0° |
CAM | CAO | NAQ | OAP | 171.3° | 180.0° |
CAM | CAO | NAQ | CAY | 179.7° | 5.3° |
CAO | CAM | CAD | CB | 96.4° | 180.0° |
CAO | CAM | CAD | H14 | 23.7° | 60.0° |
CAO | CAM | CAD | H15 | 143.4° | 60.0° |
CAO | CAM | H16 | H17 | 117.8° | 120.0° |
CAD | CAM | CAO | NAQ | 173.8° | 180.0° |
CAD | CAM | CAO | OAP | 2.0° | 0.0° |
CAM | CAD | CB | H14 | 120.1° | 120.0° |
CAM | CAD | CB | H15 | 120.1° | 120.0° |
CAM | CAD | CB | CA | 174.4° | 180.0° |
CAM | CAD | CB | H12 | 65.0° | 60.0° |
CAM | CAD | CB | H13 | 53.8° | 60.0° |
CAM | CAD | H14 | H15 | 119.6° | 120.0° |
CAD | CAM | H16 | H17 | 117.7° | 120.0° |
NAF | CAE | N | CA | 172.7° | 180.0° |
CAE | NAF | CAG | H6 | 61.5° | 35.1° |
NAF | CAE | N | H9 | 7.3° | 0.1° |
NAQ | CAO | CAM | H16 | 53.1° | 60.0° |
NAQ | CAO | CAM | H17 | 65.5° | 60.0° |
CAO | NAQ | CAY | H18 | 7.6° | 90.0° |
CAO | NAQ | CAY | H19 | 112.5° | 150.0° |
CAO | NAQ | CAY | H20 | 127.5° | 30.0° |
CAY | NAQ | CAO | OAP | 8.5° | 174.7° |
NAQ | CAY | H18 | H19 | 120.0° | 120.0° |
NAQ | CAY | H18 | H20 | 120.0° | 120.0° |
NAQ | CAY | H19 | H20 | 120.0° | 120.0° |
CAE | N | CA | CB | 81.8° | 155.0° |
CAE | N | CA | H9 | 180.0° | 179.9° |
CAE | N | CA | C | 157.3° | 85.1° |
N | CAE | NAF | H8 | 12.7° | 0.1° |
CAE | N | CA | H10 | 36.5° | 35.0° |
OAP | CAO | CAM | H16 | 118.7° | 120.0° |
OAP | CAO | CAM | H17 | 122.7° | 120.0° |
CAD | CB | CA | H12 | 120.6° | 120.0° |
CAD | CB | CA | H13 | 120.6° | 119.9° |
CAD | CB | CA | N | 77.0° | 65.1° |
CAD | CB | CA | C | 44.7° | 175.0° |
CAD | CB | CA | H10 | 163.5° | 55.0° |
CAD | CB | H12 | H13 | 118.1° | 119.9° |
CB | CAD | H14 | H15 | 119.7° | 120.0° |
CB | CAD | CAM | H16 | 142.8° | 60.0° |
CB | CAD | CAM | H17 | 24.3° | 60.0° |
CB | CA | N | C | 120.8° | 120.0° |
CB | CA | N | H10 | 118.3° | 120.0° |
CB | CA | C | H10 | 118.6° | 120.0° |
CB | CA | C | O | 92.0° | 120.0° |
CB | CA | C | OXT | 84.8° | 60.0° |
CB | CA | N | H9 | 98.1° | 24.9° |
CA | CB | H12 | H13 | 118.1° | 120.1° |
CA | CB | CAD | H14 | 54.3° | 59.9° |
CA | CB | CAD | H15 | 65.5° | 60.0° |
N | CA | C | H10 | 121.7° | 120.1° |
N | CA | C | O | 27.7° | 0.0° |
N | CA | C | OXT | 155.5° | 180.0° |
N | CA | CB | H12 | 43.6° | 55.0° |
N | CA | CB | H13 | 162.4° | 175.1° |
CA | C | O | OXT | 176.4° | 180.0° |
C | CA | N | H9 | 22.7° | 95.0° |
CA | C | OXT | H11 | 176.4° | 180.0° |
C | CA | CB | H12 | 165.3° | 65.0° |
C | CA | CB | H13 | 76.0° | 55.1° |
O | C | CA | H10 | 149.4° | 120.0° |
O | C | OXT | H11 | 0.0° | 0.0° |
OXT | C | CA | H10 | 33.8° | 60.0° |
H2 | CAL | CAK | H4 | 170.0° | 180.0° |
H2 | CAL | CAK | H5 | 69.9° | 60.0° |
H3 | CAL | CAK | H4 | 51.4° | 60.0° |
H3 | CAL | CAK | H5 | 171.5° | 180.0° |
H4 | CAK | CAG | H6 | 58.4° | 65.0° |
H5 | CAK | CAG | H6 | 61.7° | 175.0° |
H6 | CAG | NAF | H8 | 118.4° | 145.0° |
H9 | N | CA | H10 | 143.6° | 144.9° |
H10 | CA | CB | H12 | 75.9° | 175.0° |
H10 | CA | CB | H13 | 42.9° | 64.9° |
H12 | CB | CAD | H14 | 174.9° | 180.0° |
H12 | CB | CAD | H15 | 55.1° | 60.0° |
H13 | CB | CAD | H14 | 66.3° | 60.0° |
H13 | CB | CAD | H15 | 173.9° | 180.0° |
H14 | CAD | CAM | H16 | 97.1° | 180.0° |
H14 | CAD | CAM | H17 | 144.4° | 60.0° |
H15 | CAD | CAM | H16 | 22.7° | 60.0° |
H15 | CAD | CAM | H17 | 95.9° | 180.0° |
H18 | CAY | H19 | H20 | 119.9° | 120.0° |
H21 | CAS | CAT | H22 | 0.5° | 0.0° |