FVZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAF | sing | 1.39Å | 1.40Å | Aromatic |
FAH | CAF | sing | 1.35Å | 1.48Å | |
OAY | CAW | doub | 1.21Å | 1.29Å | |
OBC | CBB | doub | 1.21Å | 1.26Å | |
CAE | CAC | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAD | doub | 1.38Å | 1.41Å | Aromatic |
CAW | OAX | sing | 1.34Å | 1.29Å | |
CAW | CAV | sing | 1.51Å | 1.54Å | |
CBB | OBD | sing | 1.34Å | 1.26Å | |
CBB | CBA | sing | 1.51Å | 1.55Å | |
CAC | NAI | sing | 1.40Å | 1.37Å | |
CAC | CAB | doub | 1.39Å | 1.41Å | Aromatic |
CBA | CAZ | sing | 1.53Å | 1.54Å | |
CAD | CAB | sing | 1.38Å | 1.41Å | Aromatic |
CAZ | CAV | sing | 1.53Å | 1.59Å | |
NAI | CAJ | sing | 1.35Å | 1.33Å | |
CAV | NAU | sing | 1.46Å | 1.48Å | |
CAJ | CAL | sing | 1.51Å | 1.58Å | |
CAJ | OAK | doub | 1.21Å | 1.21Å | |
OAT | CAA | doub | 1.22Å | 1.25Å | |
NAU | CAA | sing | 1.35Å | 1.37Å | |
CAL | CAM | sing | 1.53Å | 1.57Å | |
CAA | N | sing | 1.35Å | 1.31Å | |
CB | CAM | sing | 1.53Å | 1.52Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
N | CA | sing | 1.47Å | 1.49Å | |
CA | C | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.21Å | 1.28Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
OBD | H1 | sing | 0.97Å | 0.95Å | |
CBA | H2 | sing | 1.09Å | 1.10Å | |
CBA | H3 | sing | 1.09Å | 1.10Å | |
CAZ | H4 | sing | 1.09Å | 1.10Å | |
CAZ | H5 | sing | 1.09Å | 1.10Å | |
CAV | H6 | sing | 1.09Å | 1.10Å | |
OAX | H7 | sing | 0.97Å | 0.95Å | |
NAU | 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 | |
CAM | H14 | sing | 1.09Å | 1.10Å | |
CAM | H15 | sing | 1.09Å | 1.10Å | |
CAL | H16 | sing | 1.09Å | 1.10Å | |
CAL | H17 | sing | 1.09Å | 1.10Å | |
NAI | H18 | sing | 0.97Å | 1.00Å | |
CAB | H19 | sing | 1.08Å | 1.08Å | |
CAD | H20 | sing | 1.08Å | 1.08Å | |
CAG | H21 | sing | 1.08Å | 1.08Å | |
CAE | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | CAG | CAF | 120.5° | 120.0° |
CAG | CAE | CAC | 122.1° | 120.0° |
CAE | CAG | H21 | 119.7° | 120.0° |
CAG | CAE | H22 | 119.0° | 120.0° |
CAG | CAF | FAH | 120.8° | 119.9° |
CAG | CAF | CAD | 118.7° | 120.1° |
CAF | CAG | H21 | 119.8° | 120.0° |
FAH | CAF | CAD | 120.4° | 120.0° |
OAY | CAW | OAX | 125.4° | 120.0° |
OAY | CAW | CAV | 116.9° | 120.0° |
OBC | CBB | OBD | 125.2° | 120.0° |
OBC | CBB | CBA | 118.6° | 120.0° |
CAE | CAC | NAI | 116.6° | 120.0° |
CAE | CAC | CAB | 117.2° | 119.9° |
CAC | CAE | H22 | 118.9° | 120.0° |
CAF | CAD | CAB | 119.7° | 120.0° |
CAF | CAD | H20 | 120.2° | 120.0° |
OAX | CAW | CAV | 117.8° | 120.0° |
CAW | OAX | H7 | 109.5° | 116.9° |
CAW | CAV | CAZ | 107.9° | 109.4° |
CAW | CAV | NAU | 107.3° | 109.5° |
CAW | CAV | H6 | 108.7° | 109.5° |
OBD | CBB | CBA | 116.2° | 120.0° |
CBB | OBD | H1 | 109.5° | 117.0° |
CBB | CBA | CAZ | 112.4° | 109.4° |
CBB | CBA | H2 | 108.7° | 109.5° |
CBB | CBA | H3 | 108.7° | 109.4° |
NAI | CAC | CAB | 125.1° | 120.1° |
CAC | NAI | CAJ | 127.9° | 120.0° |
CAC | NAI | H18 | 116.0° | 120.0° |
CAC | CAB | CAD | 121.4° | 120.0° |
CAC | CAB | H19 | 119.3° | 120.0° |
CBA | CAZ | CAV | 109.9° | 109.4° |
CAZ | CBA | H2 | 108.7° | 109.4° |
CAZ | CBA | H3 | 108.7° | 109.5° |
CBA | CAZ | H4 | 109.4° | 109.5° |
CBA | CAZ | H5 | 109.4° | 109.5° |
CAD | CAB | H19 | 119.3° | 120.0° |
CAB | CAD | H20 | 120.2° | 120.0° |
CAZ | CAV | NAU | 115.0° | 109.5° |
CAV | CAZ | H4 | 109.4° | 109.5° |
CAV | CAZ | H5 | 109.4° | 109.5° |
CAZ | CAV | H6 | 108.2° | 109.5° |
NAI | CAJ | CAL | 117.0° | 120.0° |
NAI | CAJ | OAK | 123.3° | 120.0° |
CAJ | NAI | H18 | 116.1° | 120.0° |
CAV | NAU | CAA | 119.9° | 120.0° |
NAU | CAV | H6 | 109.6° | 109.5° |
CAV | NAU | H8 | 120.0° | 120.0° |
CAL | CAJ | OAK | 119.6° | 120.0° |
CAJ | CAL | CAM | 112.0° | 109.5° |
CAJ | CAL | H16 | 108.8° | 109.5° |
CAJ | CAL | H17 | 108.8° | 109.4° |
OAT | CAA | NAU | 120.9° | 120.0° |
OAT | CAA | N | 123.7° | 120.0° |
NAU | CAA | N | 115.4° | 120.0° |
CAA | NAU | H8 | 120.1° | 120.0° |
CAL | CAM | CB | 113.1° | 109.5° |
CAL | CAM | H14 | 108.6° | 109.5° |
CAL | CAM | H15 | 108.6° | 109.5° |
CAM | CAL | H16 | 108.8° | 109.5° |
CAM | CAL | H17 | 108.8° | 109.5° |
CAA | N | CA | 123.8° | 120.0° |
CAA | N | H9 | 118.1° | 120.0° |
CAM | CB | CA | 107.8° | 109.5° |
CAM | CB | H12 | 109.9° | 109.5° |
CAM | CB | H13 | 109.9° | 109.4° |
CB | CAM | H14 | 108.5° | 109.5° |
CB | CAM | H15 | 108.5° | 109.4° |
CB | CA | N | 107.2° | 109.5° |
CB | CA | C | 113.9° | 109.5° |
CB | CA | H10 | 108.4° | 109.5° |
CA | CB | H12 | 109.9° | 109.5° |
CA | CB | H13 | 109.9° | 109.5° |
N | CA | C | 109.6° | 109.4° |
CA | N | H9 | 118.1° | 120.0° |
N | CA | H10 | 109.0° | 109.4° |
CA | C | O | 118.5° | 120.0° |
CA | C | OXT | 115.5° | 120.0° |
C | CA | H10 | 108.7° | 109.5° |
O | C | OXT | 125.9° | 120.0° |
C | OXT | H11 | 109.5° | 116.9° |
H2 | CBA | H3 | 109.5° | 109.5° |
H4 | CAZ | H5 | 109.5° | 109.5° |
H12 | CB | H13 | 109.5° | 109.5° |
H14 | CAM | H15 | 109.5° | 109.5° |
H16 | CAL | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAE | CAG | CAF | H21 | 180.0° | 179.5° |
CAE | CAG | CAF | FAH | 179.3° | 179.7° |
CAG | CAE | CAC | H22 | 180.0° | 179.5° |
CAE | CAG | CAF | CAD | 0.3° | 0.3° |
CAG | CAE | CAC | NAI | 176.0° | 179.8° |
CAG | CAE | CAC | CAB | 7.2° | 0.5° |
CAG | CAF | FAH | CAD | 179.6° | 180.0° |
CAF | CAG | CAE | CAC | 4.2° | 0.5° |
CAG | CAF | CAD | CAB | 0.2° | 0.0° |
CAG | CAF | CAD | H20 | 179.7° | 180.0° |
CAF | CAG | CAE | H22 | 175.8° | 180.0° |
FAH | CAF | CAD | CAB | 179.9° | 180.0° |
FAH | CAF | CAD | H20 | 0.1° | 0.1° |
FAH | CAF | CAG | H21 | 0.7° | 0.2° |
OAY | CAW | OAX | CAV | 179.4° | 179.9° |
OAY | CAW | CAV | CAZ | 80.2° | 120.0° |
OAY | CAW | CAV | NAU | 155.3° | 0.0° |
OAY | CAW | CAV | H6 | 36.9° | 120.0° |
OAY | CAW | OAX | H7 | 0.0° | 0.1° |
OBC | CBB | OBD | CBA | 178.9° | 179.8° |
OBC | CBB | CBA | CAZ | 20.2° | 0.0° |
OBC | CBB | OBD | H1 | 0.0° | 0.1° |
OBC | CBB | CBA | H2 | 100.2° | 119.9° |
OBC | CBB | CBA | H3 | 140.7° | 120.0° |
CAE | CAC | NAI | CAB | 167.8° | 179.7° |
CAE | CAC | CAB | CAD | 6.6° | 0.3° |
CAE | CAC | NAI | CAJ | 156.7° | 145.2° |
CAE | CAC | NAI | H18 | 23.4° | 34.7° |
CAE | CAC | CAB | H19 | 173.4° | 179.7° |
CAC | CAE | CAG | H21 | 175.8° | 180.0° |
CAF | CAD | CAB | CAC | 3.0° | 0.0° |
CAF | CAD | CAB | H20 | 180.0° | 179.9° |
CAF | CAD | CAB | H19 | 177.0° | 180.0° |
CAD | CAF | CAG | H21 | 179.7° | 179.8° |
OAX | CAW | CAV | CAZ | 99.2° | 60.1° |
OAX | CAW | CAV | NAU | 25.2° | 179.9° |
OAX | CAW | CAV | H6 | 143.7° | 59.9° |
CAW | CAV | CAZ | CBA | 69.0° | 175.0° |
CAW | CAV | CAZ | NAU | 119.7° | 120.0° |
CAW | CAV | CAZ | H6 | 117.5° | 120.0° |
CAW | CAV | NAU | H6 | 117.9° | 120.0° |
CAW | CAV | NAU | CAA | 53.4° | 85.0° |
CAW | CAV | CAZ | H4 | 170.9° | 55.1° |
CAW | CAV | CAZ | H5 | 51.1° | 65.0° |
CAV | CAW | OAX | H7 | 179.4° | 180.0° |
CAW | CAV | NAU | H8 | 126.6° | 95.0° |
OBD | CBB | CBA | CAZ | 158.8° | 179.8° |
OBD | CBB | CBA | H2 | 80.8° | 60.3° |
OBD | CBB | CBA | H3 | 38.3° | 59.8° |
CBB | CBA | CAZ | H2 | 120.4° | 120.0° |
CBB | CBA | CAZ | H3 | 120.4° | 120.0° |
CBB | CBA | CAZ | CAV | 166.7° | 180.0° |
CBA | CBB | OBD | H1 | 178.9° | 179.7° |
CBB | CBA | H2 | H3 | 118.6° | 120.0° |
CBB | CBA | CAZ | H4 | 73.2° | 60.0° |
CBB | CBA | CAZ | H5 | 46.6° | 60.0° |
NAI | CAC | CAB | CAD | 174.3° | 179.9° |
CAC | NAI | CAJ | H18 | 180.0° | 179.9° |
CAC | NAI | CAJ | CAL | 171.0° | 175.4° |
CAC | NAI | CAJ | OAK | 13.0° | 4.7° |
NAI | CAC | CAB | H19 | 5.7° | 0.1° |
NAI | CAC | CAE | H22 | 4.0° | 0.3° |
CAC | CAB | CAD | H19 | 180.0° | 180.0° |
CAB | CAC | NAI | CAJ | 35.5° | 35.1° |
CAB | CAC | NAI | H18 | 144.5° | 144.9° |
CAC | CAB | CAD | H20 | 177.1° | 180.0° |
CAB | CAC | CAE | H22 | 172.8° | 180.0° |
CBA | CAZ | CAV | H4 | 120.1° | 119.9° |
CBA | CAZ | CAV | H5 | 120.1° | 120.0° |
CBA | CAZ | CAV | NAU | 50.7° | 65.0° |
CAZ | CBA | H2 | H3 | 118.7° | 120.0° |
CBA | CAZ | H4 | H5 | 119.8° | 120.0° |
CBA | CAZ | CAV | H6 | 173.5° | 55.0° |
CAZ | CAV | NAU | H6 | 122.1° | 120.0° |
CAZ | CAV | NAU | CAA | 173.4° | 155.1° |
CAV | CAZ | CBA | H2 | 46.3° | 60.0° |
CAV | CAZ | CBA | H3 | 72.8° | 60.0° |
CAV | CAZ | H4 | H5 | 119.8° | 120.0° |
CAZ | CAV | NAU | H8 | 6.6° | 25.0° |
NAI | CAJ | CAL | OAK | 176.2° | 179.9° |
NAI | CAJ | CAL | CAM | 144.8° | 180.0° |
NAI | CAJ | CAL | H16 | 24.4° | 60.0° |
NAI | CAJ | CAL | H17 | 94.9° | 60.0° |
CAV | NAU | CAA | OAT | 18.4° | 0.0° |
CAV | NAU | CAA | H8 | 180.0° | 180.0° |
CAV | NAU | CAA | N | 161.3° | 180.0° |
NAU | CAV | CAZ | H4 | 69.4° | 175.0° |
NAU | CAV | CAZ | H5 | 170.8° | 55.0° |
CAJ | CAL | CAM | H16 | 120.4° | 120.0° |
CAJ | CAL | CAM | H17 | 120.4° | 119.9° |
CAJ | CAL | CAM | CB | 80.5° | 180.0° |
CAJ | CAL | CAM | H14 | 159.0° | 60.0° |
CAJ | CAL | CAM | H15 | 40.1° | 60.1° |
CAJ | CAL | H16 | H17 | 118.8° | 120.0° |
CAL | CAJ | NAI | H18 | 9.0° | 4.6° |
OAK | CAJ | CAL | CAM | 31.4° | 0.1° |
OAK | CAJ | CAL | H16 | 151.8° | 120.0° |
OAK | CAJ | CAL | H17 | 89.0° | 120.0° |
OAK | CAJ | NAI | H18 | 167.0° | 175.4° |
OAT | CAA | NAU | N | 179.6° | 180.0° |
OAT | CAA | N | CA | 5.8° | 0.0° |
OAT | CAA | NAU | H8 | 161.6° | 180.0° |
OAT | CAA | N | H9 | 174.2° | 180.0° |
NAU | CAA | N | CA | 174.6° | 180.0° |
CAA | NAU | CAV | H6 | 64.5° | 35.0° |
NAU | CAA | N | H9 | 5.4° | 0.0° |
CAL | CAM | CB | H14 | 120.5° | 120.1° |
CAL | CAM | CB | H15 | 120.5° | 119.9° |
CAL | CAM | CB | CA | 162.9° | 180.0° |
CAL | CAM | CB | H12 | 77.4° | 59.9° |
CAL | CAM | CB | H13 | 43.1° | 60.1° |
CAL | CAM | H14 | H15 | 118.4° | 120.0° |
CAM | CAL | H16 | H17 | 118.8° | 120.0° |
CAA | N | CA | CB | 86.2° | 155.0° |
CAA | N | CA | H9 | 180.0° | 180.0° |
CAA | N | CA | C | 149.8° | 85.0° |
N | CAA | NAU | H8 | 18.7° | 0.0° |
CAA | N | CA | H10 | 30.9° | 35.0° |
CAM | CB | CA | H12 | 119.7° | 120.1° |
CAM | CB | CA | H13 | 119.8° | 119.9° |
CAM | CB | CA | N | 168.9° | 65.1° |
CAM | CB | CA | C | 69.8° | 175.0° |
CAM | CB | CA | H10 | 51.4° | 54.9° |
CAM | CB | H12 | H13 | 120.8° | 120.0° |
CB | CAM | H14 | H15 | 118.3° | 120.0° |
CB | CAM | CAL | H16 | 39.9° | 59.9° |
CB | CAM | CAL | H17 | 159.2° | 60.1° |
CB | CA | N | C | 124.0° | 120.0° |
CB | CA | N | H10 | 117.1° | 120.1° |
CB | CA | C | H10 | 120.9° | 120.1° |
CB | CA | C | O | 82.8° | 119.9° |
CB | CA | C | OXT | 94.9° | 60.0° |
CB | CA | N | H9 | 93.8° | 25.0° |
CA | CB | H12 | H13 | 120.8° | 120.0° |
CA | CB | CAM | H14 | 42.3° | 59.9° |
CA | CB | CAM | H15 | 76.6° | 60.1° |
N | CA | C | H10 | 119.0° | 119.9° |
N | CA | C | O | 37.3° | 0.0° |
N | CA | C | OXT | 145.1° | 180.0° |
N | CA | CB | H12 | 71.4° | 55.0° |
N | CA | CB | H13 | 49.1° | 175.0° |
CA | C | O | OXT | 177.4° | 180.0° |
C | CA | N | H9 | 30.2° | 95.0° |
CA | C | OXT | H11 | 177.4° | 180.0° |
C | CA | CB | H12 | 50.0° | 65.0° |
C | CA | CB | H13 | 170.5° | 55.1° |
O | C | CA | H10 | 156.3° | 120.0° |
O | C | OXT | H11 | 0.0° | 0.0° |
OXT | C | CA | H10 | 26.1° | 60.0° |
H2 | CBA | CAZ | H4 | 166.3° | 180.0° |
H2 | CBA | CAZ | H5 | 73.8° | 60.0° |
H3 | CBA | CAZ | H4 | 47.2° | 59.9° |
H3 | CBA | CAZ | H5 | 167.1° | 180.0° |
H4 | CAZ | CAV | H6 | 53.5° | 64.9° |
H5 | CAZ | CAV | H6 | 66.4° | 175.0° |
H6 | CAV | NAU | H8 | 115.5° | 145.0° |
H9 | N | CA | H10 | 149.1° | 145.0° |
H10 | CA | CB | H12 | 171.1° | 175.0° |
H10 | CA | CB | H13 | 68.4° | 65.0° |
H12 | CB | CAM | H14 | 162.1° | NaN° |
H12 | CB | CAM | H15 | 43.1° | 60.0° |
H13 | CB | CAM | H14 | 77.4° | 60.0° |
H13 | CB | CAM | H15 | 163.6° | 180.0° |
H14 | CAM | CAL | H16 | 80.6° | 180.0° |
H14 | CAM | CAL | H17 | 38.6° | 60.0° |
H15 | CAM | CAL | H16 | 160.4° | 60.0° |
H15 | CAM | CAL | H17 | 80.3° | 180.0° |
H19 | CAB | CAD | H20 | 2.9° | 0.1° |
H21 | CAG | CAE | H22 | 4.2° | 0.5° |