3V6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLJ | CAT | sing | 1.80Å | 1.73Å | |
| CAT | CLI | sing | 1.80Å | 1.74Å | |
| CAT | CAX | sing | 1.53Å | 1.56Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| OAM | CAX | sing | 1.42Å | 1.48Å | |
| OAM | CAO | sing | 1.36Å | 1.37Å | |
| OAE | CAO | doub | 1.22Å | 1.22Å | |
| CAX | CAC | sing | 1.53Å | 1.53Å | |
| CAX | CAV | sing | 1.52Å | 1.58Å | |
| C | NAL | sing | 1.35Å | 1.37Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CAO | CAQ | sing | 1.43Å | 1.40Å | |
| NAL | CAV | sing | 1.47Å | 1.50Å | |
| CAV | CAW | sing | 1.52Å | 1.54Å | |
| OAG | CAN | sing | 1.35Å | 1.40Å | |
| CAQ | CAW | sing | 1.51Å | 1.47Å | |
| CAQ | CAN | doub | 1.33Å | 1.42Å | |
| CAW | CAU | sing | 1.53Å | 1.54Å | |
| CAN | CAK | sing | 1.50Å | 1.44Å | |
| CAU | OAH | sing | 1.43Å | 1.43Å | |
| CAU | CAS | sing | 1.53Å | 1.55Å | |
| CAK | CAS | sing | 1.53Å | 1.64Å | |
| CAS | CAB | sing | 1.53Å | 1.57Å | |
| CAT | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| OAH | H13 | sing | 0.97Å | 0.95Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAV | H15 | sing | 1.09Å | 1.10Å | |
| NAL | H16 | sing | 0.97Å | 1.00Å | |
| CA | H17 | sing | 1.09Å | 1.10Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| N | H21 | sing | 1.01Å | 1.00Å | |
| N | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLJ | CAT | CLI | 103.5° | 109.5° |
| CLJ | CAT | CAX | 113.1° | 109.5° |
| CLJ | CAT | H1 | 108.9° | 109.5° |
| CLI | CAT | CAX | 111.3° | 109.5° |
| CLI | CAT | H1 | 108.8° | 109.5° |
| CAT | CAX | OAM | 107.5° | 108.7° |
| CAT | CAX | CAC | 112.8° | 108.7° |
| CAT | CAX | CAV | 108.1° | 108.7° |
| CAX | CAT | H1 | 111.0° | 109.5° |
| CB | CA | N | 108.7° | 109.5° |
| CB | CA | C | 112.6° | 109.5° |
| CB | CA | H17 | 107.8° | 109.4° |
| CA | CB | H18 | 109.5° | 109.5° |
| CA | CB | H19 | 109.5° | 109.5° |
| CA | CB | H20 | 109.4° | 109.5° |
| N | CA | C | 112.0° | 109.5° |
| N | CA | H17 | 108.5° | 109.5° |
| CA | N | H21 | 109.5° | 111.0° |
| CA | N | H22 | 109.5° | 111.0° |
| CA | C | NAL | 118.4° | 120.0° |
| CA | C | O | 119.5° | 120.1° |
| C | CA | H17 | 107.1° | 109.5° |
| CAX | OAM | CAO | 124.3° | 116.9° |
| OAM | CAX | CAC | 106.6° | 108.8° |
| OAM | CAX | CAV | 113.7° | 113.2° |
| OAM | CAO | OAE | 121.3° | 122.5° |
| OAM | CAO | CAQ | 118.8° | 115.0° |
| OAE | CAO | CAQ | 119.8° | 122.5° |
| CAC | CAX | CAV | 108.2° | 108.7° |
| CAX | CAC | H2 | 109.5° | 109.4° |
| CAX | CAC | H3 | 109.5° | 109.4° |
| CAX | CAC | H4 | 109.5° | 109.5° |
| CAX | CAV | NAL | 110.3° | 108.8° |
| CAX | CAV | CAW | 108.5° | 112.8° |
| CAX | CAV | H15 | 107.5° | 108.8° |
| NAL | C | O | 122.1° | 119.9° |
| C | NAL | CAV | 122.7° | 120.0° |
| C | NAL | H16 | 118.6° | 120.0° |
| CAO | CAQ | CAW | 119.9° | 116.1° |
| CAO | CAQ | CAN | 116.5° | 120.2° |
| NAL | CAV | CAW | 113.9° | 108.8° |
| NAL | CAV | H15 | 108.5° | 108.8° |
| CAV | NAL | H16 | 118.6° | 120.0° |
| CAV | CAW | CAQ | 113.4° | 109.4° |
| CAV | CAW | CAU | 109.7° | 109.3° |
| CAV | CAW | H14 | 106.2° | 109.4° |
| CAW | CAV | H15 | 108.0° | 108.7° |
| OAG | CAN | CAQ | 118.0° | 118.2° |
| OAG | CAN | CAK | 119.7° | 118.2° |
| CAN | OAG | H5 | 109.5° | 117.0° |
| CAW | CAQ | CAN | 123.5° | 123.7° |
| CAQ | CAW | CAU | 113.7° | 109.9° |
| CAQ | CAW | H14 | 107.0° | 109.4° |
| CAQ | CAN | CAK | 122.3° | 123.6° |
| CAW | CAU | OAH | 111.1° | 109.6° |
| CAW | CAU | CAS | 106.8° | 108.9° |
| CAW | CAU | H12 | 109.1° | 109.7° |
| CAU | CAW | H14 | 106.2° | 109.4° |
| CAN | CAK | CAS | 111.5° | 109.8° |
| CAN | CAK | H6 | 108.9° | 109.4° |
| CAN | CAK | H7 | 108.9° | 109.4° |
| OAH | CAU | CAS | 110.1° | 109.5° |
| OAH | CAU | H12 | 110.7° | 109.6° |
| CAU | OAH | H13 | 109.5° | 114.1° |
| CAU | CAS | CAK | 108.9° | 108.4° |
| CAU | CAS | CAB | 111.9° | 109.7° |
| CAU | CAS | H8 | 106.5° | 109.8° |
| CAS | CAU | H12 | 108.9° | 109.6° |
| CAK | CAS | CAB | 116.8° | 109.6° |
| CAS | CAK | H6 | 109.0° | 109.4° |
| CAS | CAK | H7 | 109.0° | 109.4° |
| CAK | CAS | H8 | 105.6° | 109.6° |
| CAB | CAS | H8 | 106.4° | 109.7° |
| CAS | CAB | H9 | 109.5° | 109.5° |
| CAS | CAB | H10 | 109.5° | 109.4° |
| CAS | CAB | H11 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H4 | 109.4° | 109.5° |
| H3 | CAC | H4 | 109.5° | 109.5° |
| H6 | CAK | H7 | 109.5° | 109.3° |
| H9 | CAB | H10 | 109.5° | 109.4° |
| H9 | CAB | H11 | 109.4° | 109.5° |
| H10 | CAB | H11 | 109.5° | 109.5° |
| H18 | CB | H19 | 109.5° | 109.5° |
| H18 | CB | H20 | 109.5° | 109.5° |
| H19 | CB | H20 | 109.5° | 109.4° |
| H21 | N | H22 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLJ | CAT | CLI | CAX | 121.7° | 120.0° |
| CLJ | CAT | CLI | H1 | 115.6° | 120.0° |
| CLJ | CAT | CAX | H1 | 122.7° | 120.0° |
| CLJ | CAT | CAX | OAM | 67.9° | 172.4° |
| CLJ | CAT | CAX | CAC | 49.3° | 54.2° |
| CLJ | CAT | CAX | CAV | 168.9° | 64.0° |
| CLI | CAT | CAX | H1 | 121.4° | 120.0° |
| CLI | CAT | CAX | OAM | 176.1° | 52.4° |
| CLI | CAT | CAX | CAC | 66.7° | 65.8° |
| CLI | CAT | CAX | CAV | 53.0° | 176.0° |
| CAT | CAX | OAM | CAC | 121.2° | 118.2° |
| CAT | CAX | OAM | CAV | 119.6° | 120.9° |
| CAT | CAX | OAM | CAO | 119.0° | 73.2° |
| CAT | CAX | CAC | CAV | 119.6° | 118.2° |
| CAT | CAX | CAV | NAL | 27.8° | 2.6° |
| CAT | CAX | CAV | CAW | 153.2° | 123.5° |
| CAT | CAX | CAC | H2 | 180.0° | 60.0° |
| CAT | CAX | CAC | H3 | 60.0° | 180.0° |
| CAT | CAX | CAC | H4 | 60.0° | 60.0° |
| CAT | CAX | CAV | H15 | 90.3° | 115.7° |
| CB | CA | N | C | 125.0° | 120.0° |
| CB | CA | N | H17 | 117.0° | 120.0° |
| CB | CA | C | H17 | 118.4° | 120.0° |
| CB | CA | C | NAL | 6.7° | 60.0° |
| CB | CA | C | O | 169.9° | 120.0° |
| CA | CB | H18 | H19 | 120.0° | 120.0° |
| CA | CB | H18 | H20 | 120.0° | 120.0° |
| CA | CB | H19 | H20 | 120.0° | 120.0° |
| CB | CA | N | H21 | 180.0° | 64.0° |
| CB | CA | N | H22 | 60.0° | 60.0° |
| N | CA | C | H17 | 118.8° | 120.0° |
| N | CA | C | NAL | 116.1° | 179.9° |
| N | CA | C | O | 67.3° | 0.0° |
| N | CA | CB | H18 | 180.0° | 180.0° |
| N | CA | CB | H19 | 60.0° | 60.0° |
| N | CA | CB | H20 | 60.0° | 60.0° |
| CA | N | H21 | H22 | 120.0° | 124.0° |
| CA | C | NAL | O | 176.5° | 180.0° |
| CA | C | NAL | CAV | 174.4° | 175.0° |
| CA | C | NAL | H16 | 5.6° | 4.9° |
| C | CA | CB | H18 | 55.3° | 60.0° |
| C | CA | CB | H19 | 175.4° | 180.0° |
| C | CA | CB | H20 | 64.7° | 60.0° |
| C | CA | N | H21 | 55.0° | 56.0° |
| C | CA | N | H22 | 65.0° | 180.0° |
| CAX | OAM | CAO | OAE | 163.6° | 129.5° |
| OAM | CAX | CAC | CAV | 122.7° | 123.6° |
| CAX | OAM | CAO | CAQ | 19.7° | 50.5° |
| OAM | CAX | CAV | NAL | 91.5° | 118.2° |
| OAM | CAX | CAV | CAW | 33.9° | 2.6° |
| OAM | CAX | CAT | H1 | 54.7° | 67.6° |
| OAM | CAX | CAC | H2 | 62.2° | 58.2° |
| OAM | CAX | CAC | H3 | 177.8° | 61.8° |
| OAM | CAX | CAC | H4 | 57.8° | 178.2° |
| OAM | CAX | CAV | H15 | 150.4° | 123.4° |
| OAM | CAO | OAE | CAQ | 176.7° | 180.0° |
| CAO | OAM | CAX | CAC | 119.7° | 168.7° |
| CAO | OAM | CAX | CAV | 0.6° | 47.7° |
| OAM | CAO | CAQ | CAW | 0.2° | 1.3° |
| OAM | CAO | CAQ | CAN | 177.0° | 178.2° |
| OAE | CAO | CAQ | CAW | 176.6° | 178.7° |
| OAE | CAO | CAQ | CAN | 0.2° | 1.8° |
| CAC | CAX | CAV | NAL | 150.3° | 120.8° |
| CAC | CAX | CAV | CAW | 84.3° | 118.4° |
| CAC | CAX | CAT | H1 | 172.0° | 174.2° |
| CAX | CAC | H2 | H3 | 120.0° | 119.9° |
| CAX | CAC | H2 | H4 | 120.0° | 120.0° |
| CAX | CAC | H3 | H4 | 120.0° | 120.0° |
| CAC | CAX | CAV | H15 | 32.2° | 2.4° |
| CAX | CAV | NAL | C | 110.3° | 125.0° |
| CAX | CAV | NAL | CAW | 122.2° | 123.3° |
| CAX | CAV | NAL | H15 | 117.5° | 118.4° |
| CAX | CAV | CAW | H15 | 116.2° | 120.8° |
| CAX | CAV | CAW | CAQ | 52.1° | 44.8° |
| CAX | CAV | CAW | CAU | 179.6° | 165.2° |
| CAV | CAX | CAT | H1 | 68.4° | 56.0° |
| CAV | CAX | CAC | H2 | 60.5° | 178.2° |
| CAV | CAX | CAC | H3 | 59.6° | 61.8° |
| CAV | CAX | CAC | H4 | 179.6° | 58.2° |
| CAX | CAV | CAW | H14 | 65.2° | 75.1° |
| CAX | CAV | NAL | H16 | 69.7° | 54.9° |
| C | NAL | CAV | H16 | 180.0° | 179.9° |
| C | NAL | CAV | CAW | 127.5° | 111.7° |
| C | NAL | CAV | H15 | 7.1° | 6.6° |
| NAL | C | CA | H17 | 125.1° | 60.0° |
| O | C | NAL | CAV | 2.1° | 5.0° |
| O | C | NAL | H16 | 178.0° | 175.1° |
| O | C | CA | H17 | 51.5° | 120.0° |
| CAO | CAQ | CAW | CAV | 37.5° | 44.6° |
| CAO | CAQ | CAN | OAG | 1.7° | 0.3° |
| CAO | CAQ | CAW | CAN | 176.5° | 179.5° |
| CAO | CAQ | CAW | CAU | 163.7° | 164.6° |
| CAO | CAQ | CAN | CAK | 178.8° | 179.7° |
| CAO | CAQ | CAW | H14 | 79.3° | 75.2° |
| NAL | CAV | CAW | H15 | 120.6° | 118.3° |
| NAL | CAV | CAW | CAQ | 71.1° | 76.1° |
| NAL | CAV | CAW | CAU | 57.2° | 44.3° |
| NAL | CAV | CAW | H14 | 171.6° | 164.1° |
| CAV | CAW | CAQ | CAU | 126.2° | 120.0° |
| CAV | CAW | CAQ | H14 | 116.8° | 119.8° |
| CAV | CAW | CAQ | CAN | 146.0° | 135.9° |
| CAV | CAW | CAU | H14 | 114.4° | 119.7° |
| CAV | CAW | CAU | OAH | 61.1° | 71.2° |
| CAV | CAW | CAU | CAS | 178.8° | 169.0° |
| CAV | CAW | CAU | H12 | 61.2° | 49.1° |
| CAW | CAV | NAL | H16 | 52.5° | 68.4° |
| OAG | CAN | CAQ | CAW | 178.4° | 179.7° |
| OAG | CAN | CAQ | CAK | 179.4° | 180.0° |
| OAG | CAN | CAK | CAS | 164.2° | 161.8° |
| OAG | CAN | CAK | H6 | 43.8° | 41.6° |
| OAG | CAN | CAK | H7 | 75.5° | 78.1° |
| CAQ | CAW | CAU | H14 | 117.4° | 120.2° |
| CAW | CAQ | CAN | CAK | 2.2° | 0.3° |
| CAQ | CAW | CAU | OAH | 170.7° | 168.8° |
| CAQ | CAW | CAU | CAS | 50.6° | 49.0° |
| CAQ | CAW | CAU | H12 | 67.0° | 70.9° |
| CAQ | CAW | CAV | H15 | 168.3° | 165.6° |
| CAN | CAQ | CAW | CAU | 19.8° | 16.0° |
| CAQ | CAN | CAK | CAS | 16.4° | 18.2° |
| CAQ | CAN | OAG | H5 | 1.9° | 179.9° |
| CAQ | CAN | CAK | H6 | 136.8° | 138.3° |
| CAQ | CAN | CAK | H7 | 103.9° | 101.9° |
| CAN | CAQ | CAW | H14 | 97.2° | 104.3° |
| CAW | CAU | OAH | CAS | 118.1° | 119.4° |
| CAW | CAU | OAH | H12 | 121.4° | 120.4° |
| CAW | CAU | CAS | H12 | 117.7° | 120.0° |
| CAW | CAU | CAS | CAK | 64.5° | 68.7° |
| CAW | CAU | CAS | CAB | 164.9° | 171.6° |
| CAW | CAU | CAS | H8 | 49.0° | 51.0° |
| CAW | CAU | OAH | H13 | 180.0° | 179.4° |
| CAU | CAW | CAV | H15 | 63.4° | 74.0° |
| CAN | CAK | CAS | CAU | 48.1° | 51.0° |
| CAN | CAK | CAS | H6 | 120.3° | 120.1° |
| CAN | CAK | CAS | H7 | 120.3° | 120.1° |
| CAN | CAK | CAS | CAB | 176.1° | 170.7° |
| CAK | CAN | OAG | H5 | 178.7° | 0.1° |
| CAN | CAK | H6 | H7 | 119.0° | 119.8° |
| CAN | CAK | CAS | H8 | 65.9° | 68.9° |
| OAH | CAU | CAS | H12 | 121.6° | 120.2° |
| OAH | CAU | CAS | CAK | 174.8° | 171.5° |
| OAH | CAU | CAS | CAB | 44.2° | 51.8° |
| OAH | CAU | CAS | H8 | 71.7° | 68.8° |
| OAH | CAU | CAW | H14 | 53.2° | 48.5° |
| CAU | CAS | CAK | CAB | 127.9° | 119.7° |
| CAU | CAS | CAK | H8 | 114.1° | 119.8° |
| CAU | CAS | CAB | H8 | 116.0° | 120.7° |
| CAU | CAS | CAK | H6 | 168.4° | 171.1° |
| CAU | CAS | CAK | H7 | 72.2° | 69.1° |
| CAU | CAS | CAB | H9 | 180.0° | 58.9° |
| CAU | CAS | CAB | H10 | 60.0° | 61.0° |
| CAU | CAS | CAB | H11 | 60.0° | 178.9° |
| CAS | CAU | OAH | H13 | 61.9° | 60.0° |
| CAS | CAU | CAW | H14 | 66.8° | 71.3° |
| CAK | CAS | CAB | H8 | 117.6° | 120.4° |
| CAS | CAK | H6 | H7 | 119.1° | 119.8° |
| CAK | CAS | CAB | H9 | 53.6° | 60.1° |
| CAK | CAS | CAB | H10 | 66.4° | 180.0° |
| CAK | CAS | CAB | H11 | 173.5° | 60.0° |
| CAK | CAS | CAU | H12 | 53.2° | 51.3° |
| CAB | CAS | CAK | H6 | 63.6° | 69.2° |
| CAB | CAS | CAK | H7 | 55.8° | 50.6° |
| CAS | CAB | H9 | H10 | 120.0° | 119.9° |
| CAS | CAB | H9 | H11 | 120.0° | 120.0° |
| CAS | CAB | H10 | H11 | 120.0° | 120.0° |
| CAB | CAS | CAU | H12 | 77.4° | 68.4° |
| H2 | CAC | H3 | H4 | 120.0° | 120.1° |
| H6 | CAK | CAS | H8 | 54.4° | 51.3° |
| H7 | CAK | CAS | H8 | 173.8° | 171.0° |
| H8 | CAS | CAB | H9 | 64.0° | 179.6° |
| H8 | CAS | CAB | H10 | 176.0° | 59.7° |
| H8 | CAS | CAB | H11 | 56.0° | 60.4° |
| H8 | CAS | CAU | H12 | 166.7° | 171.0° |
| H9 | CAB | H10 | H11 | 120.0° | 120.0° |
| H12 | CAU | OAH | H13 | 58.6° | 60.2° |
| H12 | CAU | CAW | H14 | 175.6° | 168.9° |
| H14 | CAW | CAV | H15 | 51.0° | 45.8° |
| H15 | CAV | NAL | H16 | 172.9° | 173.3° |
| H17 | CA | CB | H18 | 62.6° | 60.0° |
| H17 | CA | CB | H19 | 57.4° | 60.0° |
| H17 | CA | CB | H20 | 177.4° | 180.0° |
| H17 | CA | N | H21 | 63.0° | 176.1° |
| H17 | CA | N | H22 | 177.0° | 59.9° |
| H18 | CB | H19 | H20 | 120.0° | 120.0° |
