NUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAU | sing | 1.51Å | 1.53Å | |
| OAS | CAU | sing | 1.34Å | 1.35Å | Aromatic |
| OAS | NAR | sing | 1.21Å | 1.39Å | Aromatic |
| CAU | CBA | doub | 1.37Å | 1.40Å | Aromatic |
| NAR | CAZ | doub | 1.31Å | 1.35Å | Aromatic |
| CBA | CAZ | sing | 1.48Å | 1.45Å | Aromatic |
| CBA | CAT | sing | 1.47Å | 1.61Å | |
| OAB | CAT | doub | 1.22Å | 1.24Å | |
| CAZ | CAW | sing | 1.48Å | 1.42Å | |
| CAI | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | NBB | sing | 1.35Å | 1.37Å | |
| CAW | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| NBB | CAN | sing | 1.47Å | 1.52Å | |
| NBB | CAO | sing | 1.47Å | 1.48Å | |
| CAN | CAP | sing | 1.53Å | 1.54Å | |
| CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.53Å | 1.55Å | |
| CAP | NBC | sing | 1.47Å | 1.47Å | |
| CAQ | NBC | sing | 1.47Å | 1.48Å | |
| NBC | CAY | sing | 1.40Å | 1.42Å | |
| CL1 | CAV | sing | 1.74Å | 1.74Å | |
| CAY | CAV | doub | 1.39Å | 1.42Å | Aromatic |
| CAY | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | NBD | sing | 1.48Å | 1.33Å | |
| NBD | OAD | sing | 1.22Å | 1.36Å | |
| NBD | OAC | doub | 1.22Å | 1.37Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| CAK | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAU | OAS | 121.9° | 126.7° |
| CAA | CAU | CBA | 126.5° | 126.7° |
| CAU | CAA | H6 | 109.5° | 109.5° |
| CAU | CAA | H7 | 109.4° | 109.5° |
| CAU | CAA | H8 | 109.5° | 109.5° |
| CAU | OAS | NAR | 105.6° | 113.4° |
| OAS | CAU | CBA | 111.6° | 106.6° |
| OAS | NAR | CAZ | 111.4° | 112.1° |
| CAU | CBA | CAZ | 104.2° | 102.8° |
| CAU | CBA | CAT | 114.9° | 128.6° |
| NAR | CAZ | CBA | 107.1° | 105.1° |
| NAR | CAZ | CAW | 117.8° | 127.4° |
| CAZ | CBA | CAT | 140.9° | 128.5° |
| CBA | CAZ | CAW | 135.0° | 127.5° |
| CBA | CAT | OAB | 114.5° | 120.0° |
| CBA | CAT | NBB | 134.9° | 120.0° |
| OAB | CAT | NBB | 110.6° | 119.9° |
| CAZ | CAW | CAI | 117.4° | 120.2° |
| CAZ | CAW | CAJ | 125.6° | 120.1° |
| CAW | CAI | CAG | 121.2° | 119.9° |
| CAI | CAW | CAJ | 117.0° | 119.7° |
| CAW | CAI | H1 | 119.4° | 120.1° |
| CAI | CAG | CAF | 120.7° | 120.1° |
| CAG | CAI | H1 | 119.4° | 120.0° |
| CAI | CAG | H2 | 119.7° | 120.0° |
| CAT | NBB | CAN | 114.8° | 120.9° |
| CAT | NBB | CAO | 123.9° | 120.9° |
| CAW | CAJ | CAH | 122.4° | 119.9° |
| CAW | CAJ | H5 | 118.8° | 120.0° |
| CAG | CAF | CAH | 118.9° | 120.3° |
| CAF | CAG | H2 | 119.7° | 120.0° |
| CAG | CAF | H3 | 120.5° | 119.8° |
| CAN | NBB | CAO | 121.2° | 118.2° |
| NBB | CAN | CAP | 117.7° | 108.6° |
| NBB | CAN | H13 | 107.4° | 109.6° |
| NBB | CAN | H14 | 107.3° | 109.6° |
| NBB | CAO | CAQ | 116.1° | 108.5° |
| NBB | CAO | H9 | 107.8° | 109.6° |
| NBB | CAO | H10 | 107.8° | 109.6° |
| CAN | CAP | NBC | 111.2° | 109.3° |
| CAP | CAN | H13 | 107.3° | 109.6° |
| CAP | CAN | H14 | 107.4° | 109.6° |
| CAN | CAP | H15 | 109.0° | 109.5° |
| CAN | CAP | H16 | 109.0° | 109.5° |
| CAJ | CAH | CAF | 119.8° | 120.1° |
| CAJ | CAH | H4 | 120.1° | 119.9° |
| CAH | CAJ | H5 | 118.8° | 120.1° |
| CAH | CAF | H3 | 120.5° | 119.9° |
| CAF | CAH | H4 | 120.0° | 120.0° |
| CAO | CAQ | NBC | 112.6° | 109.3° |
| CAQ | CAO | H9 | 107.8° | 109.7° |
| CAQ | CAO | H10 | 107.8° | 109.6° |
| CAO | CAQ | H11 | 108.7° | 109.4° |
| CAO | CAQ | H12 | 108.7° | 109.5° |
| CAP | NBC | CAQ | 117.4° | 111.1° |
| CAP | NBC | CAY | 123.4° | 110.8° |
| NBC | CAP | H15 | 109.1° | 109.5° |
| NBC | CAP | H16 | 109.0° | 109.4° |
| CAQ | NBC | CAY | 119.1° | 111.0° |
| NBC | CAQ | H11 | 108.7° | 109.5° |
| NBC | CAQ | H12 | 108.7° | 109.6° |
| NBC | CAY | CAV | 125.1° | 120.1° |
| NBC | CAY | CAL | 116.6° | 120.1° |
| CL1 | CAV | CAY | 125.1° | 120.0° |
| CL1 | CAV | CAM | 115.4° | 120.1° |
| CAV | CAY | CAL | 118.3° | 119.8° |
| CAY | CAV | CAM | 119.5° | 119.9° |
| CAY | CAL | CAK | 121.5° | 119.9° |
| CAY | CAL | H18 | 119.2° | 120.0° |
| CAV | CAM | CAX | 121.4° | 120.1° |
| CAV | CAM | H17 | 119.3° | 119.9° |
| CAL | CAK | CAX | 119.9° | 120.1° |
| CAK | CAL | H18 | 119.2° | 120.0° |
| CAL | CAK | H19 | 120.1° | 119.9° |
| CAM | CAX | CAK | 119.4° | 120.2° |
| CAM | CAX | NBD | 119.5° | 119.9° |
| CAX | CAM | H17 | 119.3° | 120.0° |
| CAK | CAX | NBD | 121.1° | 119.9° |
| CAX | CAK | H19 | 120.0° | 120.0° |
| CAX | NBD | OAD | 119.8° | 120.0° |
| CAX | NBD | OAC | 120.5° | 120.0° |
| OAD | NBD | OAC | 119.6° | 120.0° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.4° |
| H9 | CAO | H10 | 109.5° | 109.8° |
| H11 | CAQ | H12 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.5° | 109.8° |
| H15 | CAP | H16 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAU | OAS | CBA | 179.6° | 179.7° |
| CAA | CAU | OAS | NAR | 180.0° | 180.0° |
| CAA | CAU | CBA | CAZ | 179.8° | 179.9° |
| CAA | CAU | CBA | CAT | 0.0° | 0.3° |
| CAU | CAA | H6 | H7 | 120.0° | 120.0° |
| CAU | CAA | H6 | H8 | 120.0° | 120.0° |
| CAU | CAA | H7 | H8 | 120.0° | 120.0° |
| CAU | OAS | NAR | CAZ | 0.4° | 0.0° |
| OAS | CAU | CBA | CAZ | 0.1° | 0.4° |
| OAS | CAU | CBA | CAT | 179.6° | 180.0° |
| OAS | CAU | CAA | H6 | 0.0° | 0.0° |
| OAS | CAU | CAA | H7 | 120.0° | 120.0° |
| OAS | CAU | CAA | H8 | 120.0° | 120.0° |
| NAR | OAS | CAU | CBA | 0.3° | 0.3° |
| OAS | NAR | CAZ | CBA | 0.3° | 0.3° |
| OAS | NAR | CAZ | CAW | 179.8° | 180.0° |
| CAU | CBA | CAZ | NAR | 0.1° | 0.4° |
| CAU | CBA | CAZ | CAT | 179.7° | 179.6° |
| CAU | CBA | CAT | OAB | 7.2° | 90.0° |
| CAU | CBA | CAZ | CAW | 180.0° | 179.8° |
| CAU | CBA | CAT | NBB | 172.1° | 90.0° |
| CBA | CAU | CAA | H6 | 179.6° | 179.6° |
| CBA | CAU | CAA | H7 | 60.4° | 59.6° |
| CBA | CAU | CAA | H8 | 59.6° | 60.3° |
| NAR | CAZ | CBA | CAW | 179.9° | 179.7° |
| NAR | CAZ | CBA | CAT | 179.8° | 180.0° |
| NAR | CAZ | CAW | CAI | 12.8° | 35.0° |
| NAR | CAZ | CAW | CAJ | 166.4° | 145.1° |
| CAZ | CBA | CAT | OAB | 172.4° | 90.5° |
| CBA | CAZ | CAW | CAI | 167.4° | 144.7° |
| CAZ | CBA | CAT | NBB | 8.2° | 89.5° |
| CBA | CAZ | CAW | CAJ | 13.5° | 35.3° |
| CBA | CAT | OAB | NBB | 179.5° | 180.0° |
| CAT | CBA | CAZ | CAW | 0.4° | 0.2° |
| CBA | CAT | NBB | CAN | 179.1° | 179.9° |
| CBA | CAT | NBB | CAO | 0.0° | 0.3° |
| OAB | CAT | NBB | CAN | 0.3° | 0.1° |
| OAB | CAT | NBB | CAO | 179.4° | 179.7° |
| CAZ | CAW | CAI | CAJ | 179.2° | 179.9° |
| CAZ | CAW | CAI | CAG | 179.9° | 180.0° |
| CAZ | CAW | CAJ | CAH | 180.0° | 179.9° |
| CAZ | CAW | CAI | H1 | 0.2° | 0.4° |
| CAZ | CAW | CAJ | H5 | 0.0° | 0.0° |
| CAW | CAI | CAG | H1 | 180.0° | 179.7° |
| CAW | CAI | CAG | CAF | 0.3° | 0.1° |
| CAI | CAW | CAJ | CAH | 0.8° | 0.0° |
| CAW | CAI | CAG | H2 | 179.7° | 179.9° |
| CAI | CAW | CAJ | H5 | 179.2° | 179.9° |
| CAG | CAI | CAW | CAJ | 0.6° | 0.1° |
| CAI | CAG | CAF | H2 | 180.0° | 180.0° |
| CAI | CAG | CAF | CAH | 0.2° | 0.0° |
| CAI | CAG | CAF | H3 | 179.8° | 179.9° |
| CAT | NBB | CAN | CAO | 179.1° | 179.7° |
| CAT | NBB | CAN | CAP | 167.6° | 128.8° |
| CAT | NBB | CAO | CAQ | 166.7° | 128.8° |
| CAT | NBB | CAO | H9 | 72.4° | 111.5° |
| CAT | NBB | CAO | H10 | 45.7° | 9.1° |
| CAT | NBB | CAN | H13 | 46.4° | 9.1° |
| CAT | NBB | CAN | H14 | 71.2° | 111.5° |
| CAW | CAJ | CAH | H5 | 180.0° | 179.9° |
| CAW | CAJ | CAH | CAF | 0.8° | 0.1° |
| CAJ | CAW | CAI | H1 | 179.4° | 179.7° |
| CAW | CAJ | CAH | H4 | 179.2° | 180.0° |
| CAG | CAF | CAH | CAJ | 0.4° | 0.1° |
| CAG | CAF | CAH | H3 | 180.0° | 180.0° |
| CAF | CAG | CAI | H1 | 179.7° | 179.7° |
| CAG | CAF | CAH | H4 | 179.6° | 180.0° |
| NBB | CAN | CAP | H13 | 121.2° | 119.7° |
| NBB | CAN | CAP | H14 | 121.2° | 119.7° |
| CAN | NBB | CAO | CAQ | 14.3° | 50.9° |
| NBB | CAN | CAP | NBC | 30.0° | 53.9° |
| CAN | NBB | CAO | H9 | 106.7° | 68.9° |
| CAN | NBB | CAO | H10 | 135.2° | 170.6° |
| NBB | CAN | H13 | H14 | 116.2° | 120.4° |
| NBB | CAN | CAP | H15 | 90.3° | 66.1° |
| NBB | CAN | CAP | H16 | 150.2° | 173.8° |
| CAO | NBB | CAN | CAP | 13.2° | 50.9° |
| NBB | CAO | CAQ | H9 | 121.0° | 119.7° |
| NBB | CAO | CAQ | H10 | 120.9° | 119.7° |
| NBB | CAO | CAQ | NBC | 32.6° | 53.9° |
| NBB | CAO | H9 | H10 | 117.0° | 120.5° |
| NBB | CAO | CAQ | H11 | 153.1° | 173.8° |
| NBB | CAO | CAQ | H12 | 87.8° | 66.2° |
| CAO | NBB | CAN | H13 | 134.4° | 170.6° |
| CAO | NBB | CAN | H14 | 108.0° | 68.8° |
| CAN | CAP | NBC | H15 | 120.3° | 120.0° |
| CAN | CAP | NBC | H16 | 120.3° | 119.9° |
| CAN | CAP | NBC | CAQ | 52.2° | 63.4° |
| CAN | CAP | NBC | CAY | 131.6° | 172.7° |
| CAP | CAN | H13 | H14 | 116.3° | 120.5° |
| CAN | CAP | H15 | H16 | 119.2° | 120.1° |
| CAJ | CAH | CAF | H4 | 180.0° | 180.0° |
| CAJ | CAH | CAF | H3 | 179.6° | 180.0° |
| CAH | CAF | CAG | H2 | 179.8° | 180.0° |
| CAF | CAH | CAJ | H5 | 179.3° | 180.0° |
| CAO | CAQ | NBC | CAP | 54.3° | 63.4° |
| CAO | CAQ | NBC | H11 | 120.5° | 119.9° |
| CAO | CAQ | NBC | H12 | 120.5° | 120.0° |
| CAO | CAQ | NBC | CAY | 129.3° | 172.8° |
| CAQ | CAO | H9 | H10 | 117.0° | 120.5° |
| CAO | CAQ | H11 | H12 | 118.6° | 120.0° |
| CAP | NBC | CAQ | CAY | 176.4° | 123.8° |
| CAP | NBC | CAY | CAV | 43.7° | 116.0° |
| CAP | NBC | CAY | CAL | 136.9° | 64.3° |
| CAP | NBC | CAQ | H11 | 174.8° | 176.7° |
| CAP | NBC | CAQ | H12 | 66.2° | 56.6° |
| NBC | CAP | CAN | H13 | 151.2° | 173.6° |
| NBC | CAP | CAN | H14 | 91.2° | 65.8° |
| NBC | CAP | H15 | H16 | 119.2° | 120.0° |
| CAQ | NBC | CAY | CAV | 140.1° | 120.0° |
| CAQ | NBC | CAY | CAL | 39.2° | 59.6° |
| NBC | CAQ | CAO | H9 | 88.3° | 65.8° |
| NBC | CAQ | CAO | H10 | 153.6° | 173.6° |
| NBC | CAQ | H11 | H12 | 118.6° | 120.2° |
| CAQ | NBC | CAP | H15 | 68.1° | 56.6° |
| CAQ | NBC | CAP | H16 | 172.5° | 176.7° |
| NBC | CAY | CAV | CL1 | 0.5° | 0.1° |
| NBC | CAY | CAV | CAL | 179.4° | 179.7° |
| NBC | CAY | CAV | CAM | 179.5° | 180.0° |
| NBC | CAY | CAL | CAK | 179.7° | 180.0° |
| CAY | NBC | CAQ | H11 | 8.9° | 52.9° |
| CAY | NBC | CAQ | H12 | 110.2° | 67.2° |
| CAY | NBC | CAP | H15 | 108.2° | 67.3° |
| CAY | NBC | CAP | H16 | 11.3° | 52.8° |
| NBC | CAY | CAL | H18 | 0.3° | 0.0° |
| CL1 | CAV | CAY | CAM | 179.9° | 180.0° |
| CL1 | CAV | CAY | CAL | 179.9° | 179.7° |
| CL1 | CAV | CAM | CAX | 179.9° | 180.0° |
| CL1 | CAV | CAM | H17 | 0.1° | 0.0° |
| CAV | CAY | CAL | CAK | 0.3° | 0.3° |
| CAY | CAV | CAM | CAX | 0.0° | 0.0° |
| CAY | CAV | CAM | H17 | 180.0° | 180.0° |
| CAV | CAY | CAL | H18 | 179.7° | 179.7° |
| CAL | CAY | CAV | CAM | 0.2° | 0.3° |
| CAY | CAL | CAK | H18 | 180.0° | 180.0° |
| CAY | CAL | CAK | CAX | 0.3° | 0.1° |
| CAY | CAL | CAK | H19 | 179.7° | 180.0° |
| CAV | CAM | CAX | H17 | 180.0° | 180.0° |
| CAV | CAM | CAX | CAK | 0.0° | 0.2° |
| CAV | CAM | CAX | NBD | 180.0° | 180.0° |
| CAL | CAK | CAX | CAM | 0.1° | 0.2° |
| CAL | CAK | CAX | H19 | 180.0° | 179.9° |
| CAL | CAK | CAX | NBD | 179.8° | 180.0° |
| CAM | CAX | CAK | NBD | 179.9° | 179.8° |
| CAM | CAX | NBD | OAD | 39.5° | 0.1° |
| CAM | CAX | NBD | OAC | 139.1° | 180.0° |
| CAM | CAX | CAK | H19 | 179.9° | 179.8° |
| CAK | CAX | NBD | OAD | 140.6° | 179.7° |
| CAK | CAX | NBD | OAC | 40.8° | 0.2° |
| CAK | CAX | CAM | H17 | 180.0° | 179.8° |
| CAX | CAK | CAL | H18 | 179.7° | 179.9° |
| CAX | NBD | OAD | OAC | 178.6° | 179.9° |
| NBD | CAX | CAM | H17 | 0.0° | 0.1° |
| NBD | CAX | CAK | H19 | 0.2° | 0.1° |
| H1 | CAI | CAG | H2 | 0.3° | 0.3° |
| H2 | CAG | CAF | H3 | 0.2° | 0.1° |
| H3 | CAF | CAH | H4 | 0.4° | 0.0° |
| H4 | CAH | CAJ | H5 | 0.7° | 0.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H9 | CAO | CAQ | H11 | 32.1° | 54.1° |
| H9 | CAO | CAQ | H12 | 151.2° | 174.1° |
| H10 | CAO | CAQ | H11 | 86.0° | 66.5° |
| H10 | CAO | CAQ | H12 | 33.1° | 53.5° |
| H13 | CAN | CAP | H15 | 30.9° | 53.6° |
| H13 | CAN | CAP | H16 | 88.6° | 66.5° |
| H14 | CAN | CAP | H15 | 148.5° | 174.2° |
| H14 | CAN | CAP | H16 | 29.1° | 54.1° |
| H18 | CAL | CAK | H19 | 0.3° | 0.0° |
