G7N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAA | CAB | sing | 1.40Å | 1.33Å | |
CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAB | CAN | sing | 1.39Å | 1.40Å | Aromatic |
CAC | CAD | sing | 1.40Å | 1.39Å | Aromatic |
CAN | NAO | doub | 1.32Å | 1.39Å | Aromatic |
CAD | CAE | sing | 1.48Å | 1.34Å | |
CAD | CAP | doub | 1.40Å | 1.39Å | Aromatic |
NAO | CAP | sing | 1.32Å | 1.40Å | Aromatic |
CAV | CAW | sing | 1.51Å | 1.53Å | |
CAE | CAQ | doub | 1.38Å | 1.37Å | Aromatic |
CAE | SAF | sing | 1.76Å | 1.64Å | Aromatic |
CAW | CAQ | sing | 1.42Å | 1.36Å | |
CAW | OAX | doub | 1.21Å | 1.23Å | |
CAQ | NAR | sing | 1.33Å | 1.36Å | Aromatic |
SAF | CAG | sing | 1.76Å | 1.65Å | Aromatic |
NAR | CAG | doub | 1.29Å | 1.34Å | Aromatic |
CAG | NAH | sing | 1.39Å | 1.34Å | |
O | C | doub | 1.21Å | 1.23Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
NAH | C | sing | 1.35Å | 1.36Å | |
C | CA | sing | 1.51Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.47Å | |
N | CAL | sing | 1.37Å | 1.34Å | |
CAL | NAM | doub | 1.30Å | 1.34Å | |
CAL | NAU | sing | 1.37Å | 1.34Å | |
N | H1 | sing | 0.97Å | 1.00Å | |
CA | H2 | sing | 1.09Å | 1.10Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.08Å | 1.08Å | |
CAN | H7 | sing | 1.08Å | 1.08Å | |
CAP | H8 | sing | 1.08Å | 1.08Å | |
CAV | H9 | sing | 1.09Å | 1.10Å | |
CAV | H10 | sing | 1.09Å | 1.10Å | |
CAV | H11 | sing | 1.09Å | 1.10Å | |
NAA | H12 | sing | 0.97Å | 1.00Å | |
NAA | H13 | sing | 0.97Å | 1.00Å | |
NAH | H14 | sing | 0.97Å | 1.00Å | |
NAM | H15 | sing | 0.97Å | 1.00Å | |
NAU | H16 | sing | 0.97Å | 1.00Å | |
NAU | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAA | CAB | CAC | 119.5° | 120.4° |
NAA | CAB | CAN | 119.5° | 120.5° |
CAB | NAA | H12 | 109.5° | 120.0° |
CAB | NAA | H13 | 109.5° | 120.0° |
CAC | CAB | CAN | 121.0° | 119.1° |
CAB | CAC | CAD | 120.1° | 118.3° |
CAB | CAC | H6 | 119.9° | 120.9° |
CAB | CAN | NAO | 119.0° | 121.1° |
CAB | CAN | H7 | 120.5° | 119.4° |
CAC | CAD | CAE | 125.2° | 120.6° |
CAC | CAD | CAP | 119.0° | 118.9° |
CAD | CAC | H6 | 120.0° | 120.9° |
CAN | NAO | CAP | 119.8° | 121.9° |
NAO | CAN | H7 | 120.5° | 119.5° |
CAE | CAD | CAP | 115.8° | 120.5° |
CAD | CAE | CAQ | 133.0° | 126.0° |
CAD | CAE | SAF | 118.3° | 126.0° |
CAD | CAP | NAO | 121.1° | 120.8° |
CAD | CAP | H8 | 119.4° | 119.6° |
NAO | CAP | H8 | 119.5° | 119.6° |
CAV | CAW | CAQ | 121.9° | 120.0° |
CAV | CAW | OAX | 118.0° | 120.0° |
CAW | CAV | H9 | 109.5° | 109.5° |
CAW | CAV | H10 | 109.5° | 109.4° |
CAW | CAV | H11 | 109.5° | 109.4° |
CAQ | CAE | SAF | 108.5° | 108.0° |
CAE | CAQ | CAW | 131.4° | 122.8° |
CAE | CAQ | NAR | 112.1° | 114.3° |
CAE | SAF | CAG | 96.3° | 90.3° |
CAQ | CAW | OAX | 120.1° | 120.0° |
CAW | CAQ | NAR | 116.4° | 122.8° |
CAQ | NAR | CAG | 115.4° | 117.2° |
SAF | CAG | NAR | 107.6° | 110.1° |
SAF | CAG | NAH | 128.6° | 124.9° |
NAR | CAG | NAH | 123.8° | 124.9° |
CAG | NAH | C | 121.8° | 120.0° |
CAG | NAH | H14 | 119.1° | 120.0° |
O | C | NAH | 125.8° | 120.0° |
O | C | CA | 118.4° | 120.0° |
CB | CA | C | 109.6° | 109.5° |
CB | CA | N | 108.1° | 109.4° |
CB | CA | H2 | 108.5° | 109.5° |
CA | CB | H3 | 109.5° | 109.5° |
CA | CB | H4 | 109.5° | 109.5° |
CA | CB | H5 | 109.5° | 109.5° |
NAH | C | CA | 115.8° | 120.0° |
C | NAH | H14 | 119.1° | 120.0° |
C | CA | N | 112.8° | 109.4° |
C | CA | H2 | 108.4° | 109.5° |
CA | N | CAL | 124.8° | 120.0° |
CA | N | H1 | 117.6° | 120.0° |
N | CA | H2 | 109.3° | 109.5° |
N | CAL | NAM | 120.2° | 120.0° |
N | CAL | NAU | 119.4° | 120.1° |
CAL | N | H1 | 117.6° | 120.0° |
NAM | CAL | NAU | 120.4° | 119.9° |
CAL | NAM | H15 | 112.0° | 120.1° |
CAL | NAU | H16 | 120.0° | 120.0° |
CAL | NAU | H17 | 120.0° | 120.1° |
H3 | CB | H4 | 109.5° | 109.5° |
H3 | CB | H5 | 109.5° | 109.5° |
H4 | CB | H5 | 109.4° | 109.5° |
H9 | CAV | H10 | 109.4° | 109.5° |
H9 | CAV | H11 | 109.4° | 109.5° |
H10 | CAV | H11 | 109.5° | 109.5° |
H12 | NAA | H13 | 109.5° | 120.0° |
H16 | NAU | H17 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAB | CAC | CAN | 179.2° | 179.7° |
NAA | CAB | CAC | CAD | 179.9° | 179.7° |
NAA | CAB | CAN | NAO | 179.9° | 179.7° |
NAA | CAB | CAC | H6 | 0.1° | 0.3° |
NAA | CAB | CAN | H7 | 0.1° | 0.3° |
CAB | NAA | H12 | H13 | 120.0° | 179.9° |
CAB | CAC | CAD | H6 | 180.0° | 179.9° |
CAC | CAB | CAN | NAO | 0.7° | 0.0° |
CAB | CAC | CAD | CAE | 179.3° | 180.0° |
CAB | CAC | CAD | CAP | 0.8° | 0.0° |
CAC | CAB | CAN | H7 | 179.3° | 179.9° |
CAC | CAB | NAA | H12 | 180.0° | 0.0° |
CAC | CAB | NAA | H13 | 60.0° | 179.9° |
CAN | CAB | CAC | CAD | 0.9° | 0.1° |
CAB | CAN | NAO | H7 | 180.0° | 180.0° |
CAB | CAN | NAO | CAP | 0.4° | 0.0° |
CAN | CAB | CAC | H6 | 179.1° | 180.0° |
CAN | CAB | NAA | H12 | 0.8° | 179.6° |
CAN | CAB | NAA | H13 | 120.8° | 0.3° |
CAC | CAD | CAE | CAP | 179.9° | 180.0° |
CAC | CAD | CAP | NAO | 0.4° | 0.0° |
CAC | CAD | CAE | CAQ | 66.1° | 56.6° |
CAC | CAD | CAE | SAF | 119.3° | 123.0° |
CAC | CAD | CAP | H8 | 179.6° | 180.0° |
CAN | NAO | CAP | CAD | 0.2° | 0.1° |
CAN | NAO | CAP | H8 | 179.8° | 180.0° |
CAE | CAD | CAP | NAO | 179.7° | 180.0° |
CAD | CAE | CAQ | SAF | 175.0° | 179.7° |
CAD | CAE | CAQ | CAW | 5.1° | 0.0° |
CAD | CAE | CAQ | NAR | 176.6° | 180.0° |
CAD | CAE | SAF | CAG | 176.8° | 179.9° |
CAE | CAD | CAC | H6 | 0.6° | 0.0° |
CAE | CAD | CAP | H8 | 0.3° | 0.0° |
CAD | CAP | NAO | H8 | 180.0° | 179.9° |
CAP | CAD | CAE | CAQ | 114.1° | 123.4° |
CAP | CAD | CAE | SAF | 60.6° | 57.0° |
CAP | CAD | CAC | H6 | 179.2° | 180.0° |
CAP | NAO | CAN | H7 | 179.6° | 180.0° |
CAV | CAW | CAQ | CAE | 10.7° | 174.0° |
CAV | CAW | CAQ | OAX | 177.4° | 180.0° |
CAV | CAW | CAQ | NAR | 171.1° | 5.9° |
CAW | CAV | H9 | H10 | 120.0° | 120.0° |
CAW | CAV | H9 | H11 | 120.0° | 120.0° |
CAW | CAV | H10 | H11 | 120.0° | 119.9° |
CAE | CAQ | CAW | NAR | 178.2° | 179.9° |
CAE | CAQ | CAW | OAX | 171.9° | 5.9° |
CAQ | CAE | SAF | CAG | 0.9° | 0.4° |
CAE | CAQ | NAR | CAG | 1.6° | 0.1° |
SAF | CAE | CAQ | CAW | 179.8° | 179.7° |
SAF | CAE | CAQ | NAR | 1.6° | 0.3° |
CAE | SAF | CAG | NAR | 0.1° | 0.4° |
CAE | SAF | CAG | NAH | 179.7° | 179.9° |
CAW | CAQ | NAR | CAG | 179.8° | 180.0° |
CAQ | CAW | CAV | H9 | 177.5° | 90.0° |
CAQ | CAW | CAV | H10 | 62.6° | 150.0° |
CAQ | CAW | CAV | H11 | 57.5° | 30.0° |
OAX | CAW | CAQ | NAR | 6.4° | 174.1° |
OAX | CAW | CAV | H9 | 0.0° | 90.0° |
OAX | CAW | CAV | H10 | 120.0° | 30.0° |
OAX | CAW | CAV | H11 | 120.0° | 149.9° |
CAQ | NAR | CAG | SAF | 0.9° | 0.3° |
CAQ | NAR | CAG | NAH | 178.8° | 180.0° |
SAF | CAG | NAR | NAH | 179.7° | 179.7° |
SAF | CAG | NAH | C | 1.4° | 179.7° |
SAF | CAG | NAH | H14 | 178.5° | 0.4° |
NAR | CAG | NAH | C | 178.2° | 0.1° |
NAR | CAG | NAH | H14 | 1.9° | 180.0° |
CAG | NAH | C | O | 2.3° | 0.1° |
CAG | NAH | C | H14 | 180.0° | 179.9° |
CAG | NAH | C | CA | 179.3° | 180.0° |
O | C | CA | CB | 89.3° | 120.0° |
O | C | NAH | CA | 178.4° | 179.9° |
O | C | CA | N | 150.2° | 0.1° |
O | C | CA | H2 | 29.0° | 119.9° |
O | C | NAH | H14 | 177.7° | 180.0° |
CB | CA | C | NAH | 89.3° | 60.1° |
CB | CA | C | N | 120.6° | 120.0° |
CB | CA | C | H2 | 118.3° | 120.0° |
CB | CA | N | H2 | 117.9° | 120.0° |
CB | CA | N | CAL | 176.4° | 85.0° |
CB | CA | N | H1 | 3.7° | 94.8° |
CA | CB | H3 | H4 | 120.0° | 120.0° |
CA | CB | H3 | H5 | 120.0° | 120.0° |
CA | CB | H4 | H5 | 120.0° | 120.0° |
NAH | C | CA | N | 31.3° | 180.0° |
NAH | C | CA | H2 | 152.4° | 60.0° |
C | CA | N | H2 | 120.7° | 120.1° |
C | CA | N | CAL | 62.2° | 155.0° |
C | CA | N | H1 | 117.7° | 25.2° |
C | CA | CB | H3 | 180.0° | 180.0° |
C | CA | CB | H4 | 60.0° | 60.0° |
C | CA | CB | H5 | 60.0° | 60.0° |
CA | C | NAH | H14 | 0.8° | 0.1° |
CA | N | CAL | H1 | 180.0° | 179.8° |
CA | N | CAL | NAM | 1.4° | 179.7° |
CA | N | CAL | NAU | 179.2° | 0.2° |
N | CA | CB | H3 | 56.7° | 60.0° |
N | CA | CB | H4 | 176.7° | 180.0° |
N | CA | CB | H5 | 63.4° | 60.0° |
N | CAL | NAM | NAU | 179.4° | 179.9° |
CAL | N | CA | H2 | 58.4° | 34.9° |
N | CAL | NAM | H15 | 179.3° | 180.0° |
N | CAL | NAU | H16 | 179.4° | 0.0° |
N | CAL | NAU | H17 | 0.6° | 179.9° |
NAM | CAL | N | H1 | 178.5° | 0.1° |
NAM | CAL | NAU | H16 | 0.0° | 180.0° |
NAM | CAL | NAU | H17 | 180.0° | 0.0° |
NAU | CAL | N | H1 | 0.9° | 180.0° |
NAU | CAL | NAM | H15 | 0.0° | 0.0° |
CAL | NAU | H16 | H17 | 180.0° | 180.0° |
H1 | N | CA | H2 | 121.6° | 145.3° |
H2 | CA | CB | H3 | 61.8° | 59.9° |
H2 | CA | CB | H4 | 58.2° | 60.1° |
H2 | CA | CB | H5 | 178.2° | 179.9° |
H3 | CB | H4 | H5 | 120.0° | 120.0° |
H9 | CAV | H10 | H11 | 120.0° | 120.1° |