NZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAQ | doub | 1.21Å | 1.25Å | |
| SAX | CAW | sing | 1.81Å | 1.78Å | |
| SAX | CAY | sing | 1.71Å | 1.73Å | |
| CAW | CAT | sing | 1.51Å | 1.53Å | |
| CBE | NBD | sing | 1.46Å | 1.47Å | |
| OAR | CAQ | sing | 1.35Å | 1.27Å | |
| CAQ | CAP | sing | 1.47Å | 1.48Å | |
| CAY | NBD | sing | 1.36Å | 1.43Å | |
| CAY | NAZ | doub | 1.32Å | 1.36Å | |
| NBD | NBC | sing | 1.40Å | 1.41Å | |
| NAZ | CBA | sing | 1.33Å | 1.35Å | |
| NBC | CBB | sing | 1.35Å | 1.35Å | |
| CBA | CBB | sing | 1.50Å | 1.39Å | |
| CBA | OBG | doub | 1.22Å | 1.24Å | |
| CBB | OBF | doub | 1.21Å | 1.24Å | |
| CAT | CAP | doub | 1.31Å | 1.36Å | |
| CAT | CAU | sing | 1.50Å | 1.53Å | |
| CAP | NAO | sing | 1.39Å | 1.33Å | |
| NAO | CB | sing | 1.47Å | 1.46Å | |
| CAU | SAV | sing | 1.82Å | 1.78Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CAA | OAB | sing | 1.43Å | 1.41Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CB | SAV | sing | 1.82Å | 1.76Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| OAB | NAC | sing | 1.42Å | 1.25Å | |
| N | CAK | sing | 1.35Å | 1.33Å | |
| NAC | CAD | doub | 1.30Å | 1.25Å | |
| CAD | CAK | sing | 1.48Å | 1.45Å | |
| CAD | CAE | sing | 1.48Å | 1.46Å | |
| CAK | OBJ | doub | 1.21Å | 1.23Å | |
| NAJ | CAE | sing | 1.33Å | 1.36Å | Aromatic |
| NAJ | CAH | doub | 1.30Å | 1.34Å | Aromatic |
| CAE | CAF | doub | 1.35Å | 1.38Å | Aromatic |
| CAH | NAI | sing | 1.39Å | 1.36Å | |
| CAH | SAG | sing | 1.76Å | 1.73Å | Aromatic |
| CAF | SAG | sing | 1.76Å | 1.73Å | Aromatic |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| NAI | H2 | sing | 0.97Å | 1.00Å | |
| NAI | H3 | sing | 0.97Å | 1.00Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CAU | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| OAR | H13 | sing | 0.97Å | 0.95Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| CBE | H17 | sing | 1.09Å | 1.10Å | |
| CBE | H18 | sing | 1.09Å | 1.10Å | |
| CBE | H19 | sing | 1.09Å | 1.10Å | |
| NBC | H20 | sing | 0.97Å | 1.00Å | |
| C | O1 | sing | 1.34Å | 1.34Å | |
| NAO | H9 | sing | 0.97Å | 1.00Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAQ | OAR | 119.9° | 120.0° |
| OAS | CAQ | CAP | 119.7° | 120.0° |
| CAW | SAX | CAY | 107.9° | 100.0° |
| SAX | CAW | CAT | 115.1° | 109.4° |
| SAX | CAW | H15 | 108.0° | 109.5° |
| SAX | CAW | H16 | 108.1° | 109.4° |
| SAX | CAY | NBD | 124.2° | 118.9° |
| SAX | CAY | NAZ | 117.9° | 119.0° |
| CAW | CAT | CAP | 120.2° | 117.2° |
| CAW | CAT | CAU | 117.4° | 117.2° |
| CAT | CAW | H15 | 108.1° | 109.5° |
| CAT | CAW | H16 | 108.1° | 109.5° |
| CBE | NBD | CAY | 122.1° | 119.6° |
| CBE | NBD | NBC | 118.4° | 119.6° |
| NBD | CBE | H17 | 109.5° | 109.5° |
| NBD | CBE | H18 | 109.5° | 109.5° |
| NBD | CBE | H19 | 109.5° | 109.4° |
| OAR | CAQ | CAP | 120.4° | 120.0° |
| CAQ | OAR | H13 | 109.5° | 117.0° |
| CAQ | CAP | CAT | 125.3° | 116.4° |
| CAQ | CAP | NAO | 112.7° | 116.4° |
| NBD | CAY | NAZ | 117.9° | 122.1° |
| CAY | NBD | NBC | 119.5° | 120.8° |
| CAY | NAZ | CBA | 122.0° | 121.0° |
| NBD | NBC | CBB | 119.9° | 118.8° |
| NBD | NBC | H20 | 120.0° | 120.6° |
| NAZ | CBA | CBB | 121.0° | 119.1° |
| NAZ | CBA | OBG | 118.6° | 120.4° |
| NBC | CBB | CBA | 119.7° | 118.1° |
| NBC | CBB | OBF | 120.4° | 121.0° |
| CBB | NBC | H20 | 120.1° | 120.6° |
| CBB | CBA | OBG | 120.4° | 120.5° |
| CBA | CBB | OBF | 119.8° | 120.9° |
| CAP | CAT | CAU | 122.4° | 125.6° |
| CAT | CAP | NAO | 122.0° | 127.3° |
| CAT | CAU | SAV | 110.9° | 109.4° |
| CAT | CAU | H11 | 109.1° | 109.4° |
| CAT | CAU | H12 | 109.1° | 109.5° |
| CAP | NAO | CB | 130.0° | 120.9° |
| CAP | NAO | H9 | 104.1° | 119.6° |
| NAO | CB | SAV | 110.9° | 107.2° |
| NAO | CB | CA | 107.3° | 109.9° |
| NAO | CB | H10 | 108.9° | 110.0° |
| CB | NAO | H9 | 104.1° | 119.5° |
| CAU | SAV | CB | 100.9° | 101.2° |
| SAV | CAU | H11 | 109.1° | 109.5° |
| SAV | CAU | H12 | 109.1° | 109.5° |
| O | C | CA | 122.7° | 120.0° |
| O | C | O1 | 115.3° | 120.0° |
| CAA | OAB | NAC | 119.5° | 114.0° |
| OAB | CAA | H4 | 109.5° | 109.4° |
| OAB | CAA | H5 | 109.5° | 109.5° |
| OAB | CAA | H6 | 109.5° | 109.5° |
| C | CA | CB | 103.1° | 109.5° |
| C | CA | N | 107.4° | 109.5° |
| C | CA | H8 | 106.5° | 109.5° |
| CA | C | O1 | 110.8° | 120.1° |
| SAV | CB | CA | 116.2° | 109.9° |
| SAV | CB | H10 | 105.5° | 109.9° |
| CB | CA | N | 125.2° | 109.5° |
| CB | CA | H8 | 106.3° | 109.4° |
| CA | CB | H10 | 107.9° | 109.9° |
| CA | N | CAK | 122.4° | 120.0° |
| CA | N | H7 | 118.8° | 120.0° |
| N | CA | H8 | 107.1° | 109.4° |
| OAB | NAC | CAD | 118.0° | 120.0° |
| N | CAK | CAD | 115.5° | 120.0° |
| N | CAK | OBJ | 123.1° | 120.0° |
| CAK | N | H7 | 118.8° | 120.0° |
| NAC | CAD | CAK | 122.4° | 120.0° |
| NAC | CAD | CAE | 119.4° | 119.9° |
| CAK | CAD | CAE | 118.1° | 120.0° |
| CAD | CAK | OBJ | 121.4° | 120.0° |
| CAD | CAE | NAJ | 125.1° | 122.4° |
| CAD | CAE | CAF | 122.6° | 122.5° |
| CAE | NAJ | CAH | 110.0° | 116.9° |
| NAJ | CAE | CAF | 112.2° | 115.2° |
| NAJ | CAH | NAI | 122.8° | 125.2° |
| NAJ | CAH | SAG | 117.8° | 109.6° |
| CAE | CAF | SAG | 114.8° | 108.3° |
| CAE | CAF | H1 | 122.6° | 125.8° |
| NAI | CAH | SAG | 119.3° | 125.2° |
| CAH | NAI | H2 | 109.5° | 120.0° |
| CAH | NAI | H3 | 109.5° | 120.0° |
| CAH | SAG | CAF | 85.1° | 90.1° |
| SAG | CAF | H1 | 122.6° | 125.9° |
| H2 | NAI | H3 | 109.5° | 120.0° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H6 | 109.4° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.5° |
| H11 | CAU | H12 | 109.5° | 109.5° |
| H15 | CAW | H16 | 109.5° | 109.5° |
| H17 | CBE | H18 | 109.5° | 109.4° |
| H17 | CBE | H19 | 109.5° | 109.5° |
| H18 | CBE | H19 | 109.5° | 109.5° |
| C | O1 | H14 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAQ | OAR | CAP | 179.8° | 180.0° |
| OAS | CAQ | CAP | CAT | 42.2° | 88.9° |
| OAS | CAQ | CAP | NAO | 137.8° | 91.0° |
| OAS | CAQ | OAR | H13 | 0.0° | 0.0° |
| SAX | CAW | CAT | H15 | 120.8° | 120.0° |
| SAX | CAW | CAT | H16 | 120.8° | 119.9° |
| CAW | SAX | CAY | NBD | 174.2° | 180.0° |
| CAW | SAX | CAY | NAZ | 5.3° | 0.2° |
| SAX | CAW | CAT | CAP | 120.8° | 100.2° |
| SAX | CAW | CAT | CAU | 60.2° | 79.9° |
| SAX | CAW | H15 | H16 | 117.5° | 120.0° |
| CAY | SAX | CAW | CAT | 92.8° | 180.0° |
| SAX | CAY | NBD | CBE | 0.1° | 0.0° |
| SAX | CAY | NBD | NAZ | 179.6° | 179.8° |
| SAX | CAY | NBD | NBC | 179.4° | 180.0° |
| SAX | CAY | NAZ | CBA | 180.0° | 180.0° |
| CAY | SAX | CAW | H15 | 146.4° | 60.0° |
| CAY | SAX | CAW | H16 | 28.0° | 60.1° |
| CAW | CAT | CAP | CAQ | 1.8° | 0.9° |
| CAW | CAT | CAP | CAU | 178.9° | 179.9° |
| CAW | CAT | CAP | NAO | 178.1° | 179.2° |
| CAW | CAT | CAU | SAV | 147.1° | 158.7° |
| CAW | CAT | CAU | H11 | 92.7° | 81.3° |
| CAW | CAT | CAU | H12 | 26.8° | 38.7° |
| CAT | CAW | H15 | H16 | 117.5° | 120.0° |
| CBE | NBD | CAY | NBC | 179.4° | 180.0° |
| CBE | NBD | CAY | NAZ | 179.6° | 179.7° |
| CBE | NBD | NBC | CBB | 179.8° | 180.0° |
| NBD | CBE | H17 | H18 | 120.0° | 120.0° |
| NBD | CBE | H17 | H19 | 120.0° | 120.0° |
| NBD | CBE | H18 | H19 | 120.0° | 120.0° |
| CBE | NBD | NBC | H20 | 0.2° | 0.0° |
| OAR | CAQ | CAP | CAT | 137.9° | 91.1° |
| OAR | CAQ | CAP | NAO | 42.0° | 88.9° |
| CAQ | CAP | CAT | NAO | 179.9° | 180.0° |
| CAQ | CAP | CAT | CAU | 177.1° | 179.2° |
| CAQ | CAP | NAO | CB | 175.5° | 165.3° |
| CAP | CAQ | OAR | H13 | 179.8° | 180.0° |
| CAQ | CAP | NAO | H9 | 52.8° | 14.8° |
| NBD | CAY | NAZ | CBA | 0.4° | 0.2° |
| CAY | NBD | NBC | CBB | 0.8° | 0.0° |
| CAY | NBD | CBE | H17 | 180.0° | 90.0° |
| CAY | NBD | CBE | H18 | 60.0° | 150.0° |
| CAY | NBD | CBE | H19 | 60.0° | 30.1° |
| CAY | NBD | NBC | H20 | 179.3° | 179.9° |
| NAZ | CAY | NBD | NBC | 0.2° | 0.2° |
| CAY | NAZ | CBA | CBB | 0.5° | 0.0° |
| CAY | NAZ | CBA | OBG | 179.3° | 180.0° |
| NBD | NBC | CBB | H20 | 180.0° | 180.0° |
| NBD | NBC | CBB | CBA | 0.6° | 0.3° |
| NBD | NBC | CBB | OBF | 179.3° | 180.0° |
| NBC | NBD | CBE | H17 | 0.6° | 90.0° |
| NBC | NBD | CBE | H18 | 120.6° | 30.0° |
| NBC | NBD | CBE | H19 | 119.4° | 150.0° |
| NAZ | CBA | CBB | NBC | 0.0° | 0.2° |
| NAZ | CBA | CBB | OBG | 179.9° | 180.0° |
| NAZ | CBA | CBB | OBF | 179.9° | 180.0° |
| NBC | CBB | CBA | OBF | 179.9° | 179.7° |
| NBC | CBB | CBA | OBG | 179.9° | 179.8° |
| CBA | CBB | NBC | H20 | 179.4° | 179.7° |
| OBG | CBA | CBB | OBF | 0.0° | 0.0° |
| OBF | CBB | NBC | H20 | 0.7° | 0.0° |
| CAT | CAP | NAO | CB | 4.5° | 14.7° |
| CAP | CAT | CAU | SAV | 34.0° | 21.2° |
| CAP | CAT | CAU | H11 | 86.2° | 98.8° |
| CAP | CAT | CAU | H12 | 154.2° | 141.2° |
| CAP | CAT | CAW | H15 | 0.0° | 139.8° |
| CAP | CAT | CAW | H16 | 118.4° | 19.8° |
| CAT | CAP | NAO | H9 | 127.1° | 165.2° |
| CAU | CAT | CAP | NAO | 2.9° | 0.7° |
| CAT | CAU | SAV | H11 | 120.2° | 119.9° |
| CAT | CAU | SAV | H12 | 120.2° | 120.1° |
| CAT | CAU | SAV | CB | 50.3° | 45.1° |
| CAT | CAU | H11 | H12 | 119.4° | 120.0° |
| CAU | CAT | CAW | H15 | 179.0° | 40.1° |
| CAU | CAT | CAW | H16 | 60.6° | 160.1° |
| CAP | NAO | CB | H9 | 122.7° | 179.9° |
| CAP | NAO | CB | SAV | 21.2° | 44.7° |
| CAP | NAO | CB | CA | 106.7° | 164.1° |
| CAP | NAO | CB | H10 | 136.8° | 74.7° |
| NAO | CB | SAV | CAU | 44.1° | 56.2° |
| NAO | CB | CA | C | 28.4° | 57.7° |
| NAO | CB | SAV | CA | 122.8° | 119.4° |
| NAO | CB | SAV | H10 | 117.7° | 119.5° |
| NAO | CB | CA | H10 | 117.2° | 121.2° |
| NAO | CB | CA | N | 94.2° | 177.8° |
| NAO | CB | CA | H8 | 140.3° | 62.3° |
| CAU | SAV | CB | CA | 78.7° | 175.7° |
| CAU | SAV | CB | H10 | 161.8° | 63.3° |
| SAV | CAU | H11 | H12 | 119.3° | 120.1° |
| O | C | CA | O1 | 141.9° | 180.0° |
| O | C | CA | CB | 136.5° | 120.1° |
| O | C | CA | N | 2.6° | 0.0° |
| O | C | CA | H8 | 111.8° | 120.0° |
| O | C | O1 | H14 | 0.0° | 0.0° |
| CAA | OAB | NAC | CAD | 152.6° | 180.0° |
| OAB | CAA | H4 | H5 | 120.0° | 120.0° |
| OAB | CAA | H4 | H6 | 120.0° | 120.0° |
| OAB | CAA | H5 | H6 | 120.0° | 120.0° |
| C | CA | CB | SAV | 153.1° | 60.1° |
| C | CA | CB | N | 122.6° | 120.1° |
| C | CA | CB | H8 | 111.9° | 120.0° |
| C | CA | N | H8 | 114.1° | 120.0° |
| C | CA | N | CAK | 144.6° | 85.0° |
| C | CA | N | H7 | 35.4° | 95.0° |
| C | CA | CB | H10 | 88.7° | 178.9° |
| CA | C | O1 | H14 | 144.9° | 180.0° |
| SAV | CB | CA | H10 | 118.2° | 121.0° |
| SAV | CB | CA | N | 30.5° | 60.0° |
| SAV | CB | CA | H8 | 95.1° | 180.0° |
| CB | SAV | CAU | H11 | 69.9° | 74.8° |
| CB | SAV | CAU | H12 | 170.6° | 165.1° |
| SAV | CB | NAO | H9 | 101.5° | 135.3° |
| CB | CA | N | H8 | 125.2° | 120.0° |
| CB | CA | N | CAK | 94.6° | 155.0° |
| CB | CA | N | H7 | 85.3° | 25.0° |
| CB | CA | C | O1 | 81.7° | 60.0° |
| CA | CB | NAO | H9 | 130.7° | 15.8° |
| CA | N | CAK | H7 | 180.0° | 180.0° |
| CA | N | CAK | CAD | 172.8° | 175.4° |
| CA | N | CAK | OBJ | 7.2° | 4.9° |
| N | CA | CB | H10 | 148.6° | 61.0° |
| N | CA | C | O1 | 144.5° | 180.0° |
| OAB | NAC | CAD | CAK | 3.1° | 5.6° |
| OAB | NAC | CAD | CAE | 178.4° | 174.5° |
| NAC | OAB | CAA | H4 | 180.0° | 180.0° |
| NAC | OAB | CAA | H5 | 60.0° | 60.0° |
| NAC | OAB | CAA | H6 | 60.0° | 60.0° |
| N | CAK | CAD | NAC | 87.2° | 174.8° |
| N | CAK | CAD | OBJ | 180.0° | 179.7° |
| N | CAK | CAD | CAE | 88.1° | 5.2° |
| CAK | N | CA | H8 | 30.6° | 35.0° |
| NAC | CAD | CAK | CAE | 175.3° | 180.0° |
| NAC | CAD | CAK | OBJ | 92.8° | 5.5° |
| NAC | CAD | CAE | NAJ | 1.9° | 174.6° |
| NAC | CAD | CAE | CAF | 178.3° | 5.7° |
| CAK | CAD | CAE | NAJ | 173.6° | 5.5° |
| CAK | CAD | CAE | CAF | 2.9° | 174.3° |
| CAD | CAK | N | H7 | 7.2° | 4.6° |
| CAE | CAD | CAK | OBJ | 91.9° | 174.5° |
| CAD | CAE | NAJ | CAF | 176.8° | 179.8° |
| CAD | CAE | NAJ | CAH | 178.7° | 179.7° |
| CAD | CAE | CAF | SAG | 178.5° | 180.0° |
| CAD | CAE | CAF | H1 | 1.4° | 0.0° |
| OBJ | CAK | N | H7 | 172.7° | 175.2° |
| CAE | NAJ | CAH | NAI | 179.1° | 179.8° |
| CAE | NAJ | CAH | SAG | 1.6° | 0.5° |
| NAJ | CAE | CAF | SAG | 1.7° | 0.2° |
| NAJ | CAE | CAF | H1 | 178.3° | 179.8° |
| CAH | NAJ | CAE | CAF | 2.0° | 0.5° |
| NAJ | CAH | NAI | SAG | 179.4° | 179.6° |
| NAJ | CAH | SAG | CAF | 0.5° | 0.3° |
| NAJ | CAH | NAI | H2 | 0.0° | 179.7° |
| NAJ | CAH | NAI | H3 | 120.0° | 0.3° |
| CAE | CAF | SAG | CAH | 0.7° | 0.0° |
| CAE | CAF | SAG | H1 | 180.0° | 180.0° |
| NAI | CAH | SAG | CAF | 179.9° | 180.0° |
| CAH | NAI | H2 | H3 | 120.0° | 179.9° |
| CAH | SAG | CAF | H1 | 179.3° | 180.0° |
| SAG | CAH | NAI | H2 | 179.4° | 0.0° |
| SAG | CAH | NAI | H3 | 60.6° | 179.9° |
| H4 | CAA | H5 | H6 | 120.0° | 120.1° |
| H7 | N | CA | H8 | 149.4° | 145.0° |
| H8 | CA | CB | H10 | 23.1° | 59.0° |
| H8 | CA | C | O1 | 30.1° | 60.0° |
| H10 | CB | NAO | H9 | 14.1° | 105.3° |
| H17 | CBE | H18 | H19 | 120.0° | 120.0° |
