NZM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAY | CAW | doub | 1.22Å | 1.25Å | |
CBD | CBC | doub | 1.33Å | 1.33Å | |
CBC | CAZ | sing | 1.46Å | 1.49Å | |
CAW | OAX | sing | 1.35Å | 1.25Å | |
CAW | CAV | sing | 1.47Å | 1.47Å | |
CAZ | CAV | doub | 1.34Å | 1.36Å | |
CAZ | CBA | sing | 1.50Å | 1.53Å | |
CAV | NAU | sing | 1.39Å | 1.35Å | |
CBA | SBB | sing | 1.82Å | 1.76Å | |
NAU | CB | sing | 1.47Å | 1.47Å | |
OAM | CAK | doub | 1.21Å | 1.26Å | |
O | C | doub | 1.21Å | 1.21Å | |
CAJ | CAK | sing | 1.51Å | 1.51Å | |
CAJ | OAI | sing | 1.43Å | 1.44Å | |
CAK | OAL | sing | 1.34Å | 1.26Å | |
C | CA | sing | 1.51Å | 1.50Å | |
CB | SBB | sing | 1.82Å | 1.75Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
OAI | NAH | sing | 1.42Å | 1.26Å | |
N | CA | sing | 1.46Å | 1.47Å | |
N | CAN | sing | 1.35Å | 1.33Å | |
NAH | CAG | doub | 1.30Å | 1.26Å | |
CAG | CAN | sing | 1.48Å | 1.46Å | |
CAG | CAD | sing | 1.48Å | 1.48Å | |
CAN | OAO | doub | 1.21Å | 1.22Å | |
NAC | CAD | sing | 1.33Å | 1.36Å | Aromatic |
NAC | CAB | doub | 1.30Å | 1.33Å | Aromatic |
CAD | CAE | doub | 1.35Å | 1.40Å | Aromatic |
NAA | CAB | sing | 1.38Å | 1.37Å | |
CAB | SAF | sing | 1.76Å | 1.73Å | Aromatic |
CAE | SAF | sing | 1.76Å | 1.75Å | Aromatic |
OAL | H1 | sing | 0.97Å | 0.95Å | |
CAJ | H2 | sing | 1.09Å | 1.10Å | |
CAJ | H3 | sing | 1.09Å | 1.10Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
NAA | H5 | sing | 0.97Å | 1.00Å | |
NAA | H6 | sing | 0.97Å | 1.00Å | |
N | H7 | sing | 0.97Å | 1.00Å | |
CA | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.08Å | 1.08Å | |
CB | H10 | sing | 1.09Å | 1.10Å | |
CBA | H11 | sing | 1.09Å | 1.10Å | |
CBA | H12 | sing | 1.09Å | 1.10Å | |
CBC | H14 | sing | 1.08Å | 1.08Å | |
CBD | H15 | sing | 1.08Å | 1.08Å | |
CBD | H16 | sing | 1.08Å | 1.08Å | |
OAX | H17 | sing | 0.97Å | 0.95Å | |
NAU | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAY | CAW | OAX | 118.6° | 120.0° |
OAY | CAW | CAV | 122.6° | 120.0° |
CBD | CBC | CAZ | 123.2° | 120.0° |
CBD | CBC | H14 | 118.4° | 120.0° |
CBC | CBD | H15 | 120.0° | 120.0° |
CBC | CBD | H16 | 120.0° | 120.0° |
CBC | CAZ | CAV | 120.4° | 117.3° |
CBC | CAZ | CBA | 118.5° | 117.3° |
CAZ | CBC | H14 | 118.4° | 120.0° |
OAX | CAW | CAV | 118.8° | 120.0° |
CAW | OAX | H17 | 109.5° | 117.1° |
CAW | CAV | CAZ | 126.3° | 116.5° |
CAW | CAV | NAU | 113.0° | 116.6° |
CAV | CAZ | CBA | 121.1° | 125.4° |
CAZ | CAV | NAU | 120.7° | 126.9° |
CAZ | CBA | SBB | 112.1° | 109.5° |
CAZ | CBA | H11 | 108.8° | 109.5° |
CAZ | CBA | H12 | 108.8° | 109.5° |
CAV | NAU | CB | 130.2° | 121.0° |
CAV | NAU | H18 | 104.1° | 119.4° |
CBA | SBB | CB | 100.0° | 101.3° |
SBB | CBA | H11 | 108.8° | 109.4° |
SBB | CBA | H12 | 108.8° | 109.4° |
NAU | CB | SBB | 113.0° | 107.3° |
NAU | CB | CA | 106.1° | 109.9° |
NAU | CB | H10 | 109.0° | 109.9° |
CB | NAU | H18 | 104.1° | 119.6° |
OAM | CAK | CAJ | 119.0° | 120.0° |
OAM | CAK | OAL | 124.2° | 120.0° |
O | C | CA | 128.8° | 120.0° |
O | C | H9 | 115.6° | 120.0° |
CAK | CAJ | OAI | 108.2° | 109.5° |
CAJ | CAK | OAL | 116.8° | 119.9° |
CAK | CAJ | H2 | 109.8° | 109.4° |
CAK | CAJ | H3 | 109.8° | 109.5° |
CAJ | OAI | NAH | 119.0° | 114.0° |
OAI | CAJ | H2 | 109.8° | 109.5° |
OAI | CAJ | H3 | 109.8° | 109.5° |
CAK | OAL | H1 | 109.5° | 116.9° |
C | CA | CB | 104.1° | 109.5° |
C | CA | N | 104.3° | 109.5° |
C | CA | H8 | 108.8° | 109.5° |
CA | C | H9 | 115.6° | 120.0° |
SBB | CB | CA | 114.6° | 109.9° |
SBB | CB | H10 | 105.8° | 109.9° |
CB | CA | N | 121.4° | 109.5° |
CB | CA | H8 | 108.3° | 109.5° |
CA | CB | H10 | 108.2° | 109.8° |
OAI | NAH | CAG | 120.6° | 120.0° |
CA | N | CAN | 122.8° | 120.0° |
CA | N | H7 | 118.6° | 120.0° |
N | CA | H8 | 109.2° | 109.5° |
N | CAN | CAG | 115.7° | 120.0° |
N | CAN | OAO | 125.7° | 120.0° |
CAN | N | H7 | 118.6° | 120.0° |
NAH | CAG | CAN | 124.2° | 120.0° |
NAH | CAG | CAD | 121.7° | 120.0° |
CAN | CAG | CAD | 114.1° | 120.0° |
CAG | CAN | OAO | 118.5° | 120.0° |
CAG | CAD | NAC | 123.3° | 122.4° |
CAG | CAD | CAE | 125.0° | 122.4° |
CAD | NAC | CAB | 110.9° | 116.9° |
NAC | CAD | CAE | 111.7° | 115.1° |
NAC | CAB | NAA | 121.9° | 125.2° |
NAC | CAB | SAF | 118.5° | 109.5° |
CAD | CAE | SAF | 113.9° | 108.3° |
CAD | CAE | H4 | 123.1° | 125.9° |
NAA | CAB | SAF | 119.6° | 125.2° |
CAB | NAA | H5 | 109.5° | 120.0° |
CAB | NAA | H6 | 109.5° | 120.0° |
CAB | SAF | CAE | 85.1° | 90.1° |
SAF | CAE | H4 | 123.1° | 125.8° |
H2 | CAJ | H3 | 109.5° | 109.5° |
H5 | NAA | H6 | 109.5° | 120.0° |
H11 | CBA | H12 | 109.5° | 109.5° |
H15 | CBD | H16 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAY | CAW | OAX | CAV | 177.0° | 180.0° |
OAY | CAW | CAV | CAZ | 38.8° | 92.3° |
OAY | CAW | CAV | NAU | 142.0° | 87.7° |
OAY | CAW | OAX | H17 | 0.0° | 0.0° |
CBD | CBC | CAZ | H14 | 180.0° | 179.9° |
CBD | CBC | CAZ | CAV | 174.8° | 175.9° |
CBD | CBC | CAZ | CBA | 4.2° | 4.1° |
CBC | CBD | H15 | H16 | 180.0° | 179.9° |
CBC | CAZ | CAV | CAW | 6.9° | 1.3° |
CBC | CAZ | CAV | CBA | 179.0° | 180.0° |
CBC | CAZ | CAV | NAU | 172.2° | 178.7° |
CBC | CAZ | CBA | SBB | 139.3° | 158.5° |
CBC | CAZ | CBA | H11 | 100.3° | 81.6° |
CBC | CAZ | CBA | H12 | 18.9° | 38.5° |
CAZ | CBC | CBD | H15 | 180.0° | 180.0° |
CAZ | CBC | CBD | H16 | 0.0° | 0.1° |
OAX | CAW | CAV | CAZ | 144.3° | 87.7° |
OAX | CAW | CAV | NAU | 34.8° | 92.3° |
CAW | CAV | CAZ | NAU | 179.1° | 180.0° |
CAW | CAV | CAZ | CBA | 172.1° | 178.7° |
CAW | CAV | NAU | CB | 172.1° | 164.7° |
CAV | CAW | OAX | H17 | 177.0° | 180.0° |
CAW | CAV | NAU | H18 | 49.4° | 15.4° |
CAV | CAZ | CBA | SBB | 41.7° | 21.5° |
CAZ | CAV | NAU | CB | 7.1° | 15.3° |
CAV | CAZ | CBA | H11 | 78.7° | 98.4° |
CAV | CAZ | CBA | H12 | 162.1° | 141.5° |
CAV | CAZ | CBC | H14 | 5.2° | 4.1° |
CAZ | CAV | NAU | H18 | 129.7° | 164.6° |
CBA | CAZ | CAV | NAU | 8.9° | 1.3° |
CAZ | CBA | SBB | H11 | 120.4° | 120.0° |
CAZ | CBA | SBB | H12 | 120.4° | 120.0° |
CAZ | CBA | SBB | CB | 51.8° | 45.3° |
CAZ | CBA | H11 | H12 | 118.8° | 120.1° |
CBA | CAZ | CBC | H14 | 175.8° | 176.0° |
CAV | NAU | CB | H18 | 122.7° | 179.9° |
CAV | NAU | CB | SBB | 12.9° | 45.2° |
CAV | NAU | CB | CA | 113.4° | 164.6° |
CAV | NAU | CB | H10 | 130.3° | 74.4° |
CBA | SBB | CB | NAU | 38.5° | 56.6° |
CBA | SBB | CB | CA | 83.2° | 176.1° |
CBA | SBB | CB | H10 | 157.7° | 62.9° |
SBB | CBA | H11 | H12 | 118.8° | 120.0° |
NAU | CB | CA | C | 24.0° | 57.9° |
NAU | CB | SBB | CA | 121.7° | 119.5° |
NAU | CB | SBB | H10 | 119.2° | 119.5° |
NAU | CB | CA | H10 | 116.8° | 121.0° |
NAU | CB | CA | N | 92.9° | 177.9° |
NAU | CB | CA | H8 | 139.7° | 62.1° |
OAM | CAK | CAJ | OAL | 180.0° | 180.0° |
OAM | CAK | CAJ | OAI | 165.5° | 0.0° |
OAM | CAK | OAL | H1 | 0.0° | 0.0° |
OAM | CAK | CAJ | H2 | 74.7° | 120.0° |
OAM | CAK | CAJ | H3 | 45.7° | 120.0° |
O | C | CA | H9 | 180.0° | 180.0° |
O | C | CA | CB | 126.9° | 120.0° |
O | C | CA | N | 1.3° | 0.0° |
O | C | CA | H8 | 117.8° | 120.0° |
CAK | CAJ | OAI | H2 | 119.8° | 119.9° |
CAK | CAJ | OAI | H3 | 119.8° | 120.0° |
CAK | CAJ | OAI | NAH | 88.1° | 180.0° |
CAJ | CAK | OAL | H1 | 179.9° | 180.0° |
CAK | CAJ | H2 | H3 | 120.6° | 120.0° |
OAI | CAJ | CAK | OAL | 14.5° | 180.0° |
CAJ | OAI | NAH | CAG | 150.3° | 180.0° |
OAI | CAJ | H2 | H3 | 120.6° | 120.1° |
OAL | CAK | CAJ | H2 | 105.4° | 60.0° |
OAL | CAK | CAJ | H3 | 134.3° | 60.0° |
C | CA | CB | SBB | 149.4° | 60.0° |
C | CA | CB | N | 116.8° | 120.0° |
C | CA | CB | H8 | 115.7° | 120.0° |
C | CA | N | H8 | 116.2° | 120.0° |
C | CA | N | CAN | 142.3° | 85.0° |
C | CA | N | H7 | 37.7° | 95.0° |
C | CA | CB | H10 | 92.9° | 178.9° |
SBB | CB | CA | H10 | 117.7° | 121.1° |
SBB | CB | CA | N | 32.6° | 60.0° |
SBB | CB | CA | H8 | 94.9° | 180.0° |
CB | SBB | CBA | H11 | 68.6° | 74.6° |
CB | SBB | CBA | H12 | 172.2° | 165.4° |
SBB | CB | NAU | H18 | 109.8° | 134.7° |
CB | CA | N | H8 | 127.1° | 120.0° |
CB | CA | N | CAN | 101.0° | 155.0° |
CB | CA | N | H7 | 79.0° | 25.0° |
CB | CA | C | H9 | 53.1° | 60.0° |
CA | CB | NAU | H18 | 123.9° | 15.2° |
OAI | NAH | CAG | CAN | 0.3° | 5.4° |
OAI | NAH | CAG | CAD | 178.0° | 174.6° |
NAH | OAI | CAJ | H2 | 152.1° | 60.1° |
NAH | OAI | CAJ | H3 | 31.8° | 60.0° |
CA | N | CAN | H7 | 180.0° | 180.0° |
CA | N | CAN | CAG | 171.1° | 174.9° |
CA | N | CAN | OAO | 5.3° | 5.1° |
N | CA | C | H9 | 178.7° | 180.0° |
N | CA | CB | H10 | 150.3° | 61.1° |
N | CAN | CAG | NAH | 87.3° | 174.3° |
N | CAN | CAG | OAO | 176.7° | 180.0° |
N | CAN | CAG | CAD | 90.5° | 5.6° |
CAN | N | CA | H8 | 26.1° | 35.0° |
NAH | CAG | CAN | CAD | 177.9° | 180.0° |
NAH | CAG | CAN | OAO | 96.0° | 5.7° |
NAH | CAG | CAD | NAC | 1.9° | 172.1° |
NAH | CAG | CAD | CAE | 179.8° | 8.2° |
CAN | CAG | CAD | NAC | 176.0° | 8.0° |
CAN | CAG | CAD | CAE | 2.3° | 171.8° |
CAG | CAN | N | H7 | 8.9° | 5.0° |
CAD | CAG | CAN | OAO | 86.2° | 174.4° |
CAG | CAD | NAC | CAE | 178.5° | 179.8° |
CAG | CAD | NAC | CAB | 178.1° | 179.7° |
CAG | CAD | CAE | SAF | 178.1° | 180.0° |
CAG | CAD | CAE | H4 | 1.9° | 0.0° |
OAO | CAN | N | H7 | 174.7° | 174.9° |
CAD | NAC | CAB | NAA | 179.6° | 179.9° |
CAD | NAC | CAB | SAF | 0.3° | 0.5° |
NAC | CAD | CAE | SAF | 0.4° | 0.3° |
NAC | CAD | CAE | H4 | 179.6° | 179.8° |
CAB | NAC | CAD | CAE | 0.4° | 0.5° |
NAC | CAB | NAA | SAF | 179.3° | 179.6° |
NAC | CAB | SAF | CAE | 0.1° | 0.2° |
NAC | CAB | NAA | H5 | 0.0° | 179.7° |
NAC | CAB | NAA | H6 | 120.0° | 0.4° |
CAD | CAE | SAF | CAB | 0.2° | 0.0° |
CAD | CAE | SAF | H4 | 180.0° | 180.0° |
NAA | CAB | SAF | CAE | 179.4° | 179.9° |
CAB | NAA | H5 | H6 | 120.0° | 179.9° |
CAB | SAF | CAE | H4 | 179.8° | 180.0° |
SAF | CAB | NAA | H5 | 179.3° | 0.1° |
SAF | CAB | NAA | H6 | 59.3° | 180.0° |
H7 | N | CA | H8 | 153.9° | 145.0° |
H8 | CA | C | H9 | 62.2° | 60.0° |
H8 | CA | CB | H10 | 22.8° | 58.9° |
H10 | CB | NAU | H18 | 7.6° | 105.8° |
H14 | CBC | CBD | H15 | 0.0° | 0.1° |
H14 | CBC | CBD | H16 | 180.0° | 180.0° |