CD7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAK | CAS | sing | 1.55Å | 1.53Å | |
CAK | NAM | sing | 1.49Å | 1.48Å | |
CAS | CAI | sing | 1.55Å | 1.47Å | |
CAS | CAQ | sing | 1.51Å | 1.55Å | |
NAM | CAF | sing | 1.48Å | 1.52Å | |
CAI | CAF | sing | 1.54Å | 1.60Å | |
O | C | doub | 1.21Å | 1.24Å | |
CAQ | OAC | doub | 1.21Å | 1.22Å | |
CAQ | NAN | sing | 1.35Å | 1.35Å | |
NAN | NAO | sing | 1.40Å | 1.33Å | |
C | NAO | sing | 1.35Å | 1.37Å | |
C | CA | sing | 1.51Å | 1.44Å | |
CAL | N | sing | 1.47Å | 1.48Å | |
CAL | CAP | sing | 1.51Å | 1.45Å | |
N | CA | sing | 1.47Å | 1.46Å | |
N | CAE | sing | 1.35Å | 1.35Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CAE | OAB | doub | 1.21Å | 1.24Å | |
CAP | NAA | doub | 1.28Å | 1.32Å | |
CAP | CAH | sing | 1.51Å | 1.41Å | |
CAH | CB | sing | 1.53Å | 1.47Å | |
CAE | H1 | sing | 1.08Å | 1.08Å | |
CAL | H2 | sing | 1.09Å | 1.10Å | |
CAL | H3 | sing | 1.09Å | 1.10Å | |
NAA | H4 | sing | 0.97Å | 1.00Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
CB | H8 | sing | 1.09Å | 1.10Å | |
CA | H9 | sing | 1.09Å | 1.10Å | |
NAO | H10 | sing | 0.97Å | 1.00Å | |
NAN | H11 | sing | 0.97Å | 1.00Å | |
CAS | H12 | sing | 1.09Å | 1.10Å | |
CAI | H13 | sing | 1.09Å | 1.10Å | |
CAI | H14 | sing | 1.09Å | 1.10Å | |
CAF | H15 | sing | 1.09Å | 1.10Å | |
CAF | H16 | sing | 1.09Å | 1.10Å | |
NAM | O1 | sing | 1.46Å | 1.02Å | |
CAK | H19 | sing | 1.09Å | 1.10Å | |
CAK | H20 | sing | 1.09Å | 1.10Å | |
O1 | S1 | sing | 1.52Å | 15.81Å | |
S1 | O3 | doub | 1.42Å | 0.00Å | |
S1 | O2 | doub | 1.42Å | 0.00Å | |
S1 | O4 | sing | 1.52Å | 0.00Å | |
O4 | H17 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAS | CAK | NAM | 104.0° | 103.2° |
CAK | CAS | CAI | 101.7° | 102.9° |
CAK | CAS | CAQ | 112.7° | 110.7° |
CAK | CAS | H12 | 110.1° | 110.8° |
CAS | CAK | H19 | 110.8° | 110.7° |
CAS | CAK | H20 | 110.8° | 110.7° |
CAK | NAM | CAF | 104.5° | 105.8° |
CAK | NAM | O1 | 111.2° | 111.0° |
NAM | CAK | H19 | 110.8° | 110.7° |
NAM | CAK | H20 | 110.8° | 110.6° |
CAI | CAS | CAQ | 111.6° | 110.8° |
CAS | CAI | CAF | 99.4° | 105.2° |
CAI | CAS | H12 | 110.8° | 110.7° |
CAS | CAI | H13 | 111.9° | 110.3° |
CAS | CAI | H14 | 111.9° | 110.3° |
CAS | CAQ | OAC | 122.6° | 120.0° |
CAS | CAQ | NAN | 115.5° | 120.0° |
CAQ | CAS | H12 | 109.8° | 110.7° |
NAM | CAF | CAI | 105.9° | 107.1° |
NAM | CAF | H15 | 110.4° | 109.9° |
NAM | CAF | H16 | 110.4° | 110.1° |
CAF | NAM | O1 | 111.1° | 111.0° |
CAF | CAI | H13 | 112.0° | 110.3° |
CAF | CAI | H14 | 111.9° | 110.4° |
CAI | CAF | H15 | 110.4° | 109.9° |
CAI | CAF | H16 | 110.3° | 109.9° |
O | C | NAO | 123.4° | 120.0° |
O | C | CA | 120.9° | 120.0° |
OAC | CAQ | NAN | 121.9° | 120.0° |
CAQ | NAN | NAO | 118.6° | 120.0° |
CAQ | NAN | H11 | 120.7° | 120.0° |
NAN | NAO | C | 118.1° | 120.0° |
NAN | NAO | H10 | 121.0° | 120.0° |
NAO | NAN | H11 | 120.7° | 120.0° |
NAO | C | CA | 115.7° | 120.0° |
C | NAO | H10 | 120.9° | 120.0° |
C | CA | N | 116.1° | 109.5° |
C | CA | CB | 116.8° | 109.3° |
C | CA | H9 | 108.6° | 109.5° |
N | CAL | CAP | 102.0° | 107.6° |
CAL | N | CA | 120.8° | 118.6° |
CAL | N | CAE | 120.0° | 120.7° |
N | CAL | H2 | 111.3° | 109.8° |
N | CAL | H3 | 111.3° | 109.8° |
CAL | CAP | NAA | 120.2° | 121.0° |
CAL | CAP | CAH | 126.5° | 118.0° |
CAP | CAL | H2 | 111.3° | 109.8° |
CAP | CAL | H3 | 111.3° | 109.9° |
CA | N | CAE | 119.1° | 120.7° |
N | CA | CB | 98.8° | 109.3° |
N | CA | H9 | 108.5° | 109.5° |
N | CAE | OAB | 123.4° | 120.0° |
N | CAE | H1 | 118.3° | 120.0° |
CA | CB | CAH | 112.5° | 109.4° |
CA | CB | H7 | 108.7° | 109.5° |
CA | CB | H8 | 108.7° | 109.5° |
CB | CA | H9 | 107.4° | 109.7° |
OAB | CAE | H1 | 118.3° | 120.0° |
NAA | CAP | CAH | 113.3° | 121.0° |
CAP | NAA | H4 | 112.0° | 120.0° |
CAP | CAH | CB | 114.8° | 108.7° |
CAP | CAH | H5 | 108.1° | 109.6° |
CAP | CAH | H6 | 108.1° | 109.6° |
CB | CAH | H5 | 108.1° | 109.6° |
CB | CAH | H6 | 108.1° | 109.6° |
CAH | CB | H7 | 108.7° | 109.5° |
CAH | CB | H8 | 108.7° | 109.5° |
H2 | CAL | H3 | 109.4° | 109.8° |
H5 | CAH | H6 | 109.5° | 109.7° |
H7 | CB | H8 | 109.5° | 109.5° |
H13 | CAI | H14 | 109.5° | 110.3° |
H15 | CAF | H16 | 109.5° | 109.9° |
NAM | O1 | S1 | 154.9° | 114.0° |
H19 | CAK | H20 | 109.4° | 110.8° |
O1 | S1 | O3 | 90.0° | 106.4° |
O1 | S1 | O2 | 90.0° | 106.4° |
O1 | S1 | O4 | 90.0° | 107.2° |
O3 | S1 | O2 | 90.0° | 123.2° |
O3 | S1 | O4 | 90.0° | 106.4° |
O2 | S1 | O4 | 90.0° | 106.4° |
S1 | O4 | H17 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAS | CAK | NAM | H19 | 119.1° | 118.5° |
CAS | CAK | NAM | H20 | 119.1° | 118.4° |
CAK | CAS | CAI | CAQ | 120.3° | 118.4° |
CAK | CAS | CAI | H12 | 117.0° | 118.5° |
CAK | CAS | CAQ | H12 | 123.1° | 123.3° |
CAS | CAK | NAM | CAF | 29.3° | 39.2° |
CAK | CAS | CAI | CAF | 45.5° | 21.9° |
CAK | CAS | CAQ | OAC | 4.9° | 113.5° |
CAK | CAS | CAQ | NAN | 174.8° | 66.5° |
CAK | CAS | CAI | H13 | 163.8° | 97.0° |
CAK | CAS | CAI | H14 | 72.9° | 140.9° |
CAS | CAK | NAM | O1 | 90.7° | 159.7° |
CAS | CAK | H19 | H20 | 122.6° | 123.1° |
NAM | CAK | CAS | CAI | 49.2° | 37.4° |
NAM | CAK | CAS | CAQ | 70.3° | 155.8° |
CAK | NAM | CAF | O1 | 120.0° | 120.5° |
CAK | NAM | CAF | CAI | 1.0° | 25.3° |
NAM | CAK | CAS | H12 | 166.7° | 81.0° |
CAK | NAM | CAF | H15 | 118.4° | 94.0° |
CAK | NAM | CAF | H16 | 120.4° | 144.8° |
NAM | CAK | H19 | H20 | 122.5° | 123.1° |
CAK | NAM | O1 | S1 | 29.0° | 122.7° |
CAI | CAS | CAQ | H12 | 123.3° | 123.2° |
CAS | CAI | CAF | NAM | 28.3° | 1.2° |
CAS | CAI | CAF | H13 | 118.3° | 118.9° |
CAS | CAI | CAF | H14 | 118.3° | 119.0° |
CAI | CAS | CAQ | OAC | 108.7° | 0.0° |
CAI | CAS | CAQ | NAN | 71.6° | 180.0° |
CAS | CAI | H13 | H14 | 124.7° | 122.1° |
CAS | CAI | CAF | H15 | 147.7° | 118.1° |
CAS | CAI | CAF | H16 | 91.1° | 120.8° |
CAI | CAS | CAK | H19 | 69.9° | 155.8° |
CAI | CAS | CAK | H20 | 168.3° | 81.0° |
CAQ | CAS | CAI | CAF | 74.8° | 140.3° |
CAS | CAQ | OAC | NAN | 179.7° | 180.0° |
CAS | CAQ | NAN | NAO | 167.0° | 180.0° |
CAS | CAQ | NAN | H11 | 13.0° | 0.0° |
CAQ | CAS | CAI | H13 | 43.5° | 21.4° |
CAQ | CAS | CAI | H14 | 166.8° | 100.7° |
CAQ | CAS | CAK | H19 | 170.6° | 85.8° |
CAQ | CAS | CAK | H20 | 48.8° | 37.4° |
NAM | CAF | CAI | H15 | 119.4° | 119.4° |
NAM | CAF | CAI | H16 | 119.4° | 119.6° |
NAM | CAF | CAI | H13 | 146.6° | 120.1° |
NAM | CAF | CAI | H14 | 90.0° | 117.7° |
NAM | CAF | H15 | H16 | 121.7° | 121.4° |
CAF | NAM | CAK | H19 | 89.8° | 157.6° |
CAF | NAM | CAK | H20 | 148.5° | 79.2° |
CAF | NAM | O1 | S1 | 86.9° | 119.9° |
CAF | CAI | CAS | H12 | 162.4° | 96.6° |
CAF | CAI | H13 | H14 | 124.7° | 122.2° |
CAI | CAF | H15 | H16 | 121.6° | 121.1° |
CAI | CAF | NAM | O1 | 119.0° | 145.9° |
O | C | NAO | NAN | 12.2° | 0.0° |
O | C | NAO | CA | 177.4° | 179.9° |
O | C | CA | N | 21.5° | 47.6° |
O | C | CA | CB | 137.4° | 72.0° |
O | C | CA | H9 | 101.0° | 167.7° |
O | C | NAO | H10 | 167.8° | 179.9° |
OAC | CAQ | NAN | NAO | 13.2° | 0.0° |
OAC | CAQ | NAN | H11 | 166.7° | 180.0° |
OAC | CAQ | CAS | H12 | 128.0° | 123.2° |
CAQ | NAN | NAO | H11 | 180.0° | 180.0° |
CAQ | NAN | NAO | C | 81.0° | 180.0° |
CAQ | NAN | NAO | H10 | 98.9° | 0.1° |
NAN | CAQ | CAS | H12 | 51.8° | 56.8° |
NAN | NAO | C | H10 | 180.0° | 179.9° |
NAN | NAO | C | CA | 165.3° | 180.0° |
NAO | C | CA | N | 161.0° | 132.4° |
NAO | C | CA | CB | 45.0° | 107.9° |
NAO | C | CA | H9 | 76.5° | 12.3° |
C | NAO | NAN | H11 | 98.9° | 0.0° |
C | CA | N | CAL | 54.0° | 176.7° |
C | CA | N | CB | 125.7° | 119.7° |
C | CA | N | H9 | 122.6° | 120.1° |
C | CA | N | CAE | 123.1° | 2.9° |
C | CA | CB | H9 | 122.2° | 120.1° |
C | CA | CB | CAH | 67.0° | 178.2° |
C | CA | CB | H7 | 53.5° | 61.8° |
C | CA | CB | H8 | 172.6° | 58.2° |
CA | C | NAO | H10 | 14.7° | 0.0° |
N | CAL | CAP | H2 | 118.8° | 119.5° |
N | CAL | CAP | H3 | 118.8° | 119.6° |
CAL | N | CA | CAE | 177.1° | 179.7° |
CAL | N | CA | CB | 71.7° | 57.1° |
CAL | N | CAE | OAB | 172.3° | 5.1° |
N | CAL | CAP | NAA | 149.5° | 133.9° |
N | CAL | CAP | CAH | 28.5° | 46.1° |
CAL | N | CAE | H1 | 7.6° | 175.2° |
N | CAL | H2 | H3 | 123.5° | 120.9° |
CAL | N | CA | H9 | 176.6° | 63.2° |
CAP | CAL | N | CA | 55.5° | 48.4° |
CAP | CAL | N | CAE | 127.4° | 131.2° |
CAL | CAP | NAA | CAH | 178.2° | 180.0° |
CAL | CAP | CAH | CB | 27.0° | 52.6° |
CAP | CAL | H2 | H3 | 123.5° | 121.0° |
CAL | CAP | NAA | H4 | 178.2° | 180.0° |
CAL | CAP | CAH | H5 | 147.8° | 67.2° |
CAL | CAP | CAH | H6 | 93.8° | 172.3° |
N | CA | CB | H9 | 112.6° | 120.1° |
CA | N | CAE | OAB | 10.5° | 174.6° |
N | CA | CB | CAH | 58.2° | 58.4° |
CA | N | CAE | H1 | 169.5° | 5.1° |
CA | N | CAL | H2 | 174.4° | 71.1° |
CA | N | CAL | H3 | 63.3° | 168.1° |
N | CA | CB | H7 | 178.6° | 178.4° |
N | CA | CB | H8 | 62.2° | 61.6° |
CAE | N | CA | CB | 111.2° | 122.6° |
N | CAE | OAB | H1 | 180.0° | 179.7° |
CAE | N | CAL | H2 | 8.6° | 109.3° |
CAE | N | CAL | H3 | 113.8° | 11.6° |
CAE | N | CA | H9 | 0.5° | 117.2° |
CA | CB | CAH | CAP | 41.9° | 56.2° |
CA | CB | CAH | H7 | 120.4° | 120.0° |
CA | CB | CAH | H8 | 120.4° | 120.0° |
CA | CB | CAH | H5 | 162.6° | 63.6° |
CA | CB | CAH | H6 | 78.9° | 175.9° |
CA | CB | H7 | H8 | 118.6° | 120.1° |
NAA | CAP | CAH | CB | 151.1° | 127.4° |
NAA | CAP | CAL | H2 | 30.7° | 106.6° |
NAA | CAP | CAL | H3 | 91.7° | 14.3° |
NAA | CAP | CAH | H5 | 30.3° | 112.8° |
NAA | CAP | CAH | H6 | 88.1° | 7.7° |
CAP | CAH | CB | H5 | 120.8° | 119.8° |
CAP | CAH | CB | H6 | 120.8° | 119.7° |
CAH | CAP | CAL | H2 | 147.3° | 73.4° |
CAH | CAP | CAL | H3 | 90.3° | 165.7° |
CAH | CAP | NAA | H4 | 0.0° | 0.1° |
CAP | CAH | H5 | H6 | 117.6° | 120.4° |
CAP | CAH | CB | H7 | 162.3° | 176.2° |
CAP | CAH | CB | H8 | 78.5° | 63.8° |
CB | CAH | H5 | H6 | 117.6° | 120.4° |
CAH | CB | H7 | H8 | 118.6° | 120.0° |
CAH | CB | CA | H9 | 170.8° | 61.7° |
H5 | CAH | CB | H7 | 76.9° | 56.3° |
H5 | CAH | CB | H8 | 42.2° | 176.4° |
H6 | CAH | CB | H7 | 41.5° | 64.1° |
H6 | CAH | CB | H8 | 160.7° | 56.0° |
H7 | CB | CA | H9 | 68.8° | 58.3° |
H8 | CB | CA | H9 | 50.3° | 178.3° |
H10 | NAO | NAN | H11 | 81.1° | 180.0° |
H12 | CAS | CAI | H13 | 79.2° | 144.5° |
H12 | CAS | CAI | H14 | 44.1° | 22.4° |
H12 | CAS | CAK | H19 | 47.6° | 37.4° |
H12 | CAS | CAK | H20 | 74.1° | 160.6° |
H13 | CAI | CAF | H15 | 93.9° | 0.8° |
H13 | CAI | CAF | H16 | 27.2° | 120.3° |
H14 | CAI | CAF | H15 | 29.4° | 122.9° |
H14 | CAI | CAF | H16 | 150.6° | 1.9° |
H15 | CAF | NAM | O1 | 121.6° | 26.5° |
H16 | CAF | NAM | O1 | 0.4° | 94.7° |
O1 | NAM | CAK | H19 | 150.2° | 81.8° |
O1 | NAM | CAK | H20 | 28.5° | 41.3° |
NAM | O1 | S1 | O3 | 90.0° | 171.5° |
NAM | O1 | S1 | O2 | 90.0° | 38.6° |
NAM | O1 | S1 | O4 | 90.0° | 75.0° |
O1 | S1 | O3 | O2 | 90.0° | 122.9° |
O1 | S1 | O3 | O4 | 90.0° | 114.1° |
O1 | S1 | O2 | O4 | 90.0° | 114.1° |
O1 | S1 | O4 | H17 | 90.0° | 180.0° |
O3 | S1 | O2 | O4 | 90.0° | 122.9° |
O3 | S1 | O4 | H17 | 90.0° | 66.5° |
O2 | S1 | O4 | H17 | 90.0° | 66.4° |