G7H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAI | CAM | sing | 1.54Å | 1.51Å | |
CAI | CAL | sing | 1.55Å | 1.52Å | |
CAM | NBC | sing | 1.47Å | 1.49Å | |
CAL | CAU | sing | 1.51Å | 1.40Å | |
CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAX | sing | 1.39Å | 1.39Å | Aromatic |
NBC | CAX | sing | 1.40Å | 1.34Å | |
NBC | CAU | sing | 1.34Å | 1.34Å | |
CAE | CAW | sing | 1.40Å | 1.40Å | Aromatic |
CAX | CAH | doub | 1.39Å | 1.39Å | Aromatic |
CAU | OAC | doub | 1.21Å | 1.23Å | |
CAW | CBA | sing | 1.47Å | 1.35Å | |
CAW | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAA | CAT | sing | 1.51Å | 1.54Å | |
CAH | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CBA | CAZ | doub | 1.38Å | 1.37Å | Aromatic |
CBA | SAS | sing | 1.76Å | 1.75Å | Aromatic |
CAT | CAZ | sing | 1.42Å | 1.36Å | |
CAT | OAB | doub | 1.21Å | 1.24Å | |
CAZ | NAO | sing | 1.34Å | 1.36Å | Aromatic |
SAS | CAY | sing | 1.76Å | 1.65Å | Aromatic |
NAO | CAY | doub | 1.29Å | 1.34Å | Aromatic |
CAY | NAR | sing | 1.39Å | 1.34Å | |
NAR | C | sing | 1.35Å | 1.36Å | |
O | C | doub | 1.21Å | 1.23Å | |
C | CA | sing | 1.51Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
N | CAK | sing | 1.47Å | 1.48Å | |
CB | NAP | sing | 1.47Å | 1.47Å | |
CAK | CAJ | sing | 1.53Å | 1.53Å | |
NAP | CAJ | sing | 1.47Å | 1.47Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
CA | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAA | H7 | sing | 1.09Å | 1.10Å | |
CAA | H8 | sing | 1.09Å | 1.10Å | |
CAE | H9 | sing | 1.08Å | 1.08Å | |
CAF | H10 | sing | 1.08Å | 1.08Å | |
CAG | H11 | sing | 1.08Å | 1.08Å | |
CAH | H12 | sing | 1.08Å | 1.08Å | |
CAI | H13 | sing | 1.09Å | 1.10Å | |
CAI | H14 | sing | 1.09Å | 1.10Å | |
CAJ | H15 | sing | 1.09Å | 1.10Å | |
CAJ | H16 | sing | 1.09Å | 1.10Å | |
CAK | H17 | sing | 1.09Å | 1.10Å | |
CAK | H18 | sing | 1.09Å | 1.10Å | |
CAL | H19 | sing | 1.09Å | 1.10Å | |
CAL | H20 | sing | 1.09Å | 1.10Å | |
CAM | H21 | sing | 1.09Å | 1.10Å | |
CAM | H22 | sing | 1.09Å | 1.10Å | |
NAP | H23 | sing | 1.01Å | 1.00Å | |
NAR | H25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAM | CAI | CAL | 100.6° | 101.7° |
CAI | CAM | NBC | 101.7° | 105.5° |
CAM | CAI | H13 | 111.6° | 111.0° |
CAM | CAI | H14 | 111.6° | 111.0° |
CAI | CAM | H21 | 111.4° | 110.2° |
CAI | CAM | H22 | 111.4° | 110.2° |
CAI | CAL | CAU | 102.6° | 104.2° |
CAL | CAI | H13 | 111.7° | 111.0° |
CAL | CAI | H14 | 111.7° | 111.0° |
CAI | CAL | H19 | 111.2° | 110.5° |
CAI | CAL | H20 | 111.2° | 110.5° |
CAM | NBC | CAX | 121.5° | 124.4° |
CAM | NBC | CAU | 107.5° | 111.3° |
NBC | CAM | H21 | 111.4° | 110.3° |
NBC | CAM | H22 | 111.4° | 110.2° |
CAL | CAU | NBC | 112.5° | 110.1° |
CAL | CAU | OAC | 122.5° | 125.0° |
CAU | CAL | H19 | 111.1° | 110.5° |
CAU | CAL | H20 | 111.2° | 110.5° |
CAE | CAG | CAX | 121.0° | 120.1° |
CAG | CAE | CAW | 120.8° | 119.9° |
CAG | CAE | H9 | 119.6° | 120.0° |
CAE | CAG | H11 | 119.5° | 119.9° |
CAG | CAX | NBC | 119.4° | 119.9° |
CAG | CAX | CAH | 118.6° | 120.2° |
CAX | CAG | H11 | 119.5° | 120.0° |
CAX | NBC | CAU | 130.9° | 124.4° |
NBC | CAX | CAH | 122.0° | 119.9° |
NBC | CAU | OAC | 125.0° | 124.9° |
CAE | CAW | CBA | 125.6° | 120.1° |
CAE | CAW | CAF | 117.5° | 119.8° |
CAW | CAE | H9 | 119.6° | 120.1° |
CAX | CAH | CAF | 120.1° | 120.0° |
CAX | CAH | H12 | 119.9° | 119.9° |
CBA | CAW | CAF | 116.9° | 120.1° |
CAW | CBA | CAZ | 134.7° | 126.0° |
CAW | CBA | SAS | 118.2° | 126.0° |
CAW | CAF | CAH | 122.1° | 120.0° |
CAW | CAF | H10 | 119.0° | 120.0° |
CAA | CAT | CAZ | 121.7° | 120.0° |
CAA | CAT | OAB | 118.1° | 120.0° |
CAT | CAA | H6 | 109.5° | 109.5° |
CAT | CAA | H7 | 109.5° | 109.4° |
CAT | CAA | H8 | 109.5° | 109.4° |
CAH | CAF | H10 | 119.0° | 120.0° |
CAF | CAH | H12 | 120.0° | 120.0° |
CAZ | CBA | SAS | 107.1° | 107.9° |
CBA | CAZ | CAT | 133.7° | 122.9° |
CBA | CAZ | NAO | 112.2° | 114.3° |
CBA | SAS | CAY | 94.3° | 90.3° |
CAZ | CAT | OAB | 119.9° | 120.0° |
CAT | CAZ | NAO | 114.1° | 122.8° |
CAZ | NAO | CAY | 117.5° | 117.2° |
SAS | CAY | NAO | 108.9° | 110.2° |
SAS | CAY | NAR | 129.0° | 124.9° |
NAO | CAY | NAR | 122.0° | 124.9° |
CAY | NAR | C | 122.1° | 120.1° |
CAY | NAR | H25 | 118.9° | 120.0° |
NAR | C | O | 126.2° | 119.9° |
NAR | C | CA | 113.9° | 120.0° |
C | NAR | H25 | 119.0° | 119.9° |
O | C | CA | 119.8° | 120.0° |
C | CA | N | 109.6° | 109.5° |
C | CA | CB | 106.9° | 109.5° |
C | CA | H3 | 109.9° | 109.5° |
N | CA | CB | 109.9° | 109.4° |
CA | N | CAK | 109.8° | 110.9° |
CA | N | H1 | 109.4° | 111.0° |
N | CA | H3 | 110.7° | 109.5° |
CA | CB | NAP | 111.3° | 109.4° |
CB | CA | H3 | 109.7° | 109.5° |
CA | CB | H4 | 109.0° | 109.5° |
CA | CB | H5 | 109.0° | 109.5° |
N | CAK | CAJ | 110.0° | 109.4° |
CAK | N | H1 | 109.4° | 110.9° |
N | CAK | H17 | 109.3° | 109.5° |
N | CAK | H18 | 109.3° | 109.5° |
CB | NAP | CAJ | 108.8° | 110.9° |
NAP | CB | H4 | 109.0° | 109.5° |
NAP | CB | H5 | 109.0° | 109.5° |
CB | NAP | H23 | 109.6° | 111.0° |
CAK | CAJ | NAP | 110.8° | 109.4° |
CAK | CAJ | H15 | 109.2° | 109.5° |
CAK | CAJ | H16 | 109.1° | 109.5° |
CAJ | CAK | H17 | 109.4° | 109.4° |
CAJ | CAK | H18 | 109.3° | 109.5° |
NAP | CAJ | H15 | 109.1° | 109.5° |
NAP | CAJ | H16 | 109.1° | 109.6° |
CAJ | NAP | H23 | 109.7° | 111.0° |
H4 | CB | H5 | 109.5° | 109.5° |
H6 | CAA | H7 | 109.5° | 109.5° |
H6 | CAA | H8 | 109.4° | 109.5° |
H7 | CAA | H8 | 109.5° | 109.5° |
H13 | CAI | H14 | 109.5° | 110.9° |
H15 | CAJ | H16 | 109.5° | 109.5° |
H17 | CAK | H18 | 109.5° | 109.5° |
H19 | CAL | H20 | 109.5° | 110.5° |
H21 | CAM | H22 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAM | CAI | CAL | H13 | 118.5° | 118.1° |
CAM | CAI | CAL | H14 | 118.5° | 118.1° |
CAI | CAM | NBC | H21 | 118.7° | 119.0° |
CAI | CAM | NBC | H22 | 118.7° | 119.0° |
CAM | CAI | CAL | CAU | 36.2° | 24.8° |
CAI | CAM | NBC | CAX | 157.8° | 163.0° |
CAI | CAM | NBC | CAU | 24.3° | 17.0° |
CAM | CAI | H13 | H14 | 124.1° | 123.9° |
CAM | CAI | CAL | H19 | 155.1° | 94.0° |
CAM | CAI | CAL | H20 | 82.7° | 143.5° |
CAI | CAM | H21 | H22 | 123.6° | 121.9° |
CAL | CAI | CAM | NBC | 36.2° | 25.4° |
CAI | CAL | CAU | H19 | 118.9° | 118.7° |
CAI | CAL | CAU | H20 | 118.9° | 118.7° |
CAI | CAL | CAU | NBC | 23.0° | 16.3° |
CAI | CAL | CAU | OAC | 157.2° | 163.8° |
CAL | CAI | H13 | H14 | 124.2° | 123.8° |
CAI | CAL | H19 | H20 | 123.2° | 122.5° |
CAL | CAI | CAM | H21 | 82.5° | 144.4° |
CAL | CAI | CAM | H22 | 154.9° | 93.6° |
CAM | NBC | CAU | CAL | 0.8° | 0.4° |
CAM | NBC | CAX | CAG | 20.2° | 5.8° |
CAM | NBC | CAX | CAU | 177.2° | 180.0° |
CAM | NBC | CAX | CAH | 158.4° | 174.3° |
CAM | NBC | CAU | OAC | 179.0° | 179.5° |
NBC | CAM | CAI | H13 | 82.4° | 92.7° |
NBC | CAM | CAI | H14 | 154.8° | 143.5° |
NBC | CAM | H21 | H22 | 123.6° | 122.0° |
CAL | CAU | NBC | CAX | 178.3° | 179.6° |
CAL | CAU | NBC | OAC | 179.8° | 180.0° |
CAU | CAL | CAI | H13 | 82.3° | 93.3° |
CAU | CAL | CAI | H14 | 154.8° | 142.9° |
CAU | CAL | H19 | H20 | 123.2° | 122.6° |
CAE | CAG | CAX | H11 | 180.0° | 180.0° |
CAE | CAG | CAX | NBC | 178.7° | 180.0° |
CAG | CAE | CAW | H9 | 180.0° | 179.7° |
CAE | CAG | CAX | CAH | 0.0° | 0.0° |
CAG | CAE | CAW | CBA | 179.2° | 179.7° |
CAG | CAE | CAW | CAF | 2.1° | 0.3° |
CAG | CAX | NBC | CAH | 178.6° | 179.9° |
CAG | CAX | NBC | CAU | 162.6° | 174.2° |
CAX | CAG | CAE | CAW | 1.3° | 0.0° |
CAG | CAX | CAH | CAF | 0.6° | 0.2° |
CAX | CAG | CAE | H9 | 178.7° | 179.7° |
CAG | CAX | CAH | H12 | 179.4° | 179.8° |
CAX | NBC | CAU | OAC | 1.5° | 0.5° |
NBC | CAX | CAH | CAF | 179.2° | 179.7° |
NBC | CAX | CAG | H11 | 1.4° | 0.0° |
NBC | CAX | CAH | H12 | 0.8° | 0.3° |
CAX | NBC | CAM | H21 | 83.4° | 44.0° |
CAX | NBC | CAM | H22 | 39.1° | 78.0° |
CAU | NBC | CAX | CAH | 18.8° | 5.7° |
NBC | CAU | CAL | H19 | 141.9° | 102.5° |
NBC | CAU | CAL | H20 | 95.9° | 134.9° |
CAU | NBC | CAM | H21 | 94.4° | 136.0° |
CAU | NBC | CAM | H22 | 143.1° | 102.0° |
CAE | CAW | CBA | CAF | 177.1° | 180.0° |
CAE | CAW | CAF | CAH | 1.5° | 0.5° |
CAE | CAW | CBA | CAZ | 51.8° | 127.5° |
CAE | CAW | CBA | SAS | 129.8° | 52.8° |
CAE | CAW | CAF | H10 | 178.5° | 180.0° |
CAW | CAE | CAG | H11 | 178.6° | 180.0° |
CAX | CAH | CAF | CAW | 0.2° | 0.5° |
CAX | CAH | CAF | H12 | 180.0° | 180.0° |
CAX | CAH | CAF | H10 | 179.8° | 180.0° |
CAH | CAX | CAG | H11 | 180.0° | 179.9° |
OAC | CAU | CAL | H19 | 38.3° | 77.5° |
OAC | CAU | CAL | H20 | 83.9° | 45.1° |
CBA | CAW | CAF | CAH | 178.9° | 179.5° |
CAW | CBA | CAZ | SAS | 178.5° | 179.7° |
CAW | CBA | CAZ | CAT | 0.9° | 0.0° |
CAW | CBA | CAZ | NAO | 179.1° | 179.9° |
CAW | CBA | SAS | CAY | 179.9° | 180.0° |
CBA | CAW | CAE | H9 | 0.8° | 0.0° |
CBA | CAW | CAF | H10 | 1.1° | 0.0° |
CAW | CAF | CAH | H10 | 180.0° | 179.5° |
CAF | CAW | CBA | CAZ | 131.0° | 52.5° |
CAF | CAW | CBA | SAS | 47.4° | 127.2° |
CAF | CAW | CAE | H9 | 178.0° | 180.0° |
CAW | CAF | CAH | H12 | 179.8° | 179.5° |
CAA | CAT | CAZ | CBA | 5.3° | 174.6° |
CAA | CAT | CAZ | OAB | 174.2° | 179.9° |
CAA | CAT | CAZ | NAO | 172.8° | 5.3° |
CAT | CAA | H6 | H7 | 120.0° | 120.0° |
CAT | CAA | H6 | H8 | 120.0° | 120.0° |
CAT | CAA | H7 | H8 | 120.0° | 119.9° |
CBA | CAZ | CAT | NAO | 178.1° | 179.9° |
CBA | CAZ | CAT | OAB | 179.5° | 5.5° |
CAZ | CBA | SAS | CAY | 1.3° | 0.2° |
CBA | CAZ | NAO | CAY | 0.8° | 0.1° |
SAS | CBA | CAZ | CAT | 177.6° | 179.8° |
SAS | CBA | CAZ | NAO | 0.5° | 0.1° |
CBA | SAS | CAY | NAO | 1.7° | 0.2° |
CBA | SAS | CAY | NAR | 177.3° | 180.0° |
CAT | CAZ | NAO | CAY | 179.3° | 180.0° |
CAZ | CAT | CAA | H6 | 174.3° | 90.0° |
CAZ | CAT | CAA | H7 | 65.7° | 150.0° |
CAZ | CAT | CAA | H8 | 54.3° | 30.1° |
OAB | CAT | CAZ | NAO | 1.4° | 174.6° |
OAB | CAT | CAA | H6 | 0.0° | 90.0° |
OAB | CAT | CAA | H7 | 120.0° | 30.1° |
OAB | CAT | CAA | H8 | 120.0° | 150.0° |
CAZ | NAO | CAY | SAS | 1.8° | 0.2° |
CAZ | NAO | CAY | NAR | 177.7° | 180.0° |
SAS | CAY | NAO | NAR | 175.9° | 179.8° |
SAS | CAY | NAR | C | 10.1° | 179.7° |
SAS | CAY | NAR | H25 | 169.8° | 0.3° |
NAO | CAY | NAR | C | 164.9° | 0.0° |
NAO | CAY | NAR | H25 | 15.1° | 180.0° |
CAY | NAR | C | H25 | 180.0° | 180.0° |
CAY | NAR | C | O | 5.2° | 0.0° |
CAY | NAR | C | CA | 172.3° | 180.0° |
NAR | C | O | CA | 177.4° | 180.0° |
NAR | C | CA | N | 171.9° | 160.0° |
NAR | C | CA | CB | 68.9° | 80.1° |
NAR | C | CA | H3 | 50.1° | 39.9° |
O | C | CA | N | 10.3° | 20.0° |
O | C | CA | CB | 108.8° | 99.9° |
O | C | CA | H3 | 132.2° | 140.1° |
O | C | NAR | H25 | 174.8° | 180.0° |
C | CA | N | CB | 117.2° | 120.0° |
C | CA | N | H3 | 121.4° | 120.1° |
C | CA | CB | H3 | 119.1° | 120.1° |
C | CA | N | CAK | 174.9° | 179.3° |
C | CA | CB | NAP | 177.1° | 178.4° |
C | CA | N | H1 | 54.9° | 55.5° |
C | CA | CB | H4 | 62.6° | 61.6° |
C | CA | CB | H5 | 56.8° | 58.4° |
CA | C | NAR | H25 | 7.7° | 0.0° |
N | CA | CB | H3 | 122.0° | 119.9° |
CA | N | CAK | H1 | 120.1° | 123.9° |
N | CA | CB | NAP | 58.2° | 58.4° |
CA | N | CAK | CAJ | 58.7° | 59.3° |
N | CA | CB | H4 | 178.5° | 178.4° |
N | CA | CB | H5 | 62.0° | 61.6° |
CA | N | CAK | H17 | 178.8° | 179.2° |
CA | N | CAK | H18 | 61.4° | 60.7° |
CB | CA | N | CAK | 57.7° | 59.3° |
CA | CB | NAP | H4 | 120.3° | 120.0° |
CA | CB | NAP | H5 | 120.3° | 120.0° |
CA | CB | NAP | CAJ | 57.8° | 59.3° |
CB | CA | N | H1 | 62.3° | 64.5° |
CA | CB | H4 | H5 | 119.2° | 120.1° |
CA | CB | NAP | H23 | 62.1° | 64.6° |
N | CAK | CAJ | H17 | 120.1° | 120.0° |
N | CAK | CAJ | H18 | 120.1° | 120.0° |
N | CAK | CAJ | NAP | 59.6° | 58.4° |
CAK | N | CA | H3 | 63.7° | 60.6° |
N | CAK | CAJ | H15 | 60.6° | 61.6° |
N | CAK | CAJ | H16 | 179.8° | 178.4° |
N | CAK | H17 | H18 | 119.8° | 120.1° |
CB | NAP | CAJ | CAK | 58.5° | 59.3° |
CB | NAP | CAJ | H23 | 119.9° | 123.9° |
NAP | CB | CA | H3 | 63.8° | 61.6° |
NAP | CB | H4 | H5 | 119.2° | 120.0° |
CB | NAP | CAJ | H15 | 61.7° | 60.6° |
CB | NAP | CAJ | H16 | 178.7° | 179.3° |
CAK | CAJ | NAP | H15 | 120.2° | 119.9° |
CAK | CAJ | NAP | H16 | 120.2° | 120.0° |
CAJ | CAK | N | H1 | 61.4° | 64.5° |
CAK | CAJ | H15 | H16 | 119.4° | 120.0° |
CAJ | CAK | H17 | H18 | 119.8° | 120.1° |
CAK | CAJ | NAP | H23 | 61.3° | 64.5° |
CAJ | NAP | CB | H4 | 178.1° | 179.3° |
CAJ | NAP | CB | H5 | 62.4° | 60.7° |
NAP | CAJ | H15 | H16 | 119.4° | 120.1° |
NAP | CAJ | CAK | H17 | 179.7° | 178.3° |
NAP | CAJ | CAK | H18 | 60.5° | 61.6° |
H1 | N | CA | H3 | 176.2° | 175.6° |
H1 | N | CAK | H17 | 58.7° | 55.4° |
H1 | N | CAK | H18 | 178.6° | 175.5° |
H3 | CA | CB | H4 | 56.5° | 58.4° |
H3 | CA | CB | H5 | 176.0° | 178.5° |
H4 | CB | NAP | H23 | 58.2° | 55.4° |
H5 | CB | NAP | H23 | 177.7° | 175.4° |
H6 | CAA | H7 | H8 | 120.0° | 120.1° |
H9 | CAE | CAG | H11 | 1.4° | 0.3° |
H10 | CAF | CAH | H12 | 0.2° | 0.0° |
H13 | CAI | CAL | H19 | 36.6° | 147.9° |
H13 | CAI | CAL | H20 | 158.8° | 25.4° |
H13 | CAI | CAM | H21 | 158.9° | 26.4° |
H13 | CAI | CAM | H22 | 36.4° | 148.3° |
H14 | CAI | CAL | H19 | 86.3° | 24.2° |
H14 | CAI | CAL | H20 | 35.9° | 98.4° |
H14 | CAI | CAM | H21 | 36.1° | 97.5° |
H14 | CAI | CAM | H22 | 86.5° | 24.5° |
H15 | CAJ | CAK | H17 | 59.5° | 58.4° |
H15 | CAJ | CAK | H18 | 179.3° | 178.5° |
H15 | CAJ | NAP | H23 | 178.4° | 175.5° |
H16 | CAJ | CAK | H17 | 60.1° | 61.6° |
H16 | CAJ | CAK | H18 | 59.7° | 58.5° |
H16 | CAJ | NAP | H23 | 58.8° | 55.5° |