3V5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAN | CAJ | sing | 1.47Å | 1.45Å | |
| NAN | CAK | sing | 1.47Å | 1.45Å | |
| CAJ | NAB | sing | 1.47Å | 1.44Å | |
| CAK | SAQ | sing | 1.81Å | 1.76Å | |
| SAQ | CAW | sing | 1.81Å | 1.77Å | |
| CAW | CAX | sing | 1.54Å | 1.52Å | |
| CAW | CAM | sing | 1.55Å | 1.53Å | |
| OAF | CAS | doub | 1.21Å | 1.23Å | |
| CAX | CAS | sing | 1.51Å | 1.48Å | |
| CAX | NAO | sing | 1.47Å | 1.42Å | |
| CAS | OAH | sing | 1.34Å | 1.22Å | |
| CAM | CAV | sing | 1.55Å | 1.51Å | |
| NAO | CAV | sing | 1.48Å | 1.43Å | |
| CAV | CAY | sing | 1.53Å | 1.50Å | |
| CAY | CAT | sing | 1.51Å | 1.49Å | |
| CAY | CAR | sing | 1.51Å | 1.52Å | |
| CAT | OAG | doub | 1.21Å | 1.20Å | |
| CAR | CAA | sing | 1.51Å | 1.50Å | |
| CAR | OAE | doub | 1.21Å | 1.21Å | |
| OAH | H1 | sing | 0.97Å | 0.95Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| NAN | H6 | sing | 1.01Å | 1.00Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| NAB | H10 | sing | 1.01Å | 1.00Å | |
| NAB | H11 | sing | 1.01Å | 1.00Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| NAO | H15 | sing | 1.01Å | 1.00Å | |
| CAV | H17 | sing | 1.09Å | 1.10Å | |
| CAY | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAT | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | NAN | CAK | 122.7° | 111.0° |
| NAN | CAJ | NAB | 110.8° | 109.4° |
| CAJ | NAN | H6 | 106.1° | 111.0° |
| NAN | CAJ | H8 | 109.2° | 109.6° |
| NAN | CAJ | H9 | 109.1° | 109.5° |
| NAN | CAK | SAQ | 112.2° | 109.5° |
| NAN | CAK | H4 | 108.8° | 109.4° |
| NAN | CAK | H5 | 108.8° | 109.5° |
| CAK | NAN | H6 | 106.0° | 111.0° |
| NAB | CAJ | H8 | 109.1° | 109.5° |
| NAB | CAJ | H9 | 109.2° | 109.4° |
| CAJ | NAB | H10 | 109.5° | 111.0° |
| CAJ | NAB | H11 | 109.5° | 111.0° |
| CAK | SAQ | CAW | 115.6° | 103.0° |
| SAQ | CAK | H4 | 108.8° | 109.5° |
| SAQ | CAK | H5 | 108.8° | 109.4° |
| SAQ | CAW | CAX | 106.7° | 110.7° |
| SAQ | CAW | CAM | 115.4° | 110.7° |
| SAQ | CAW | H3 | 107.9° | 110.8° |
| CAX | CAW | CAM | 105.1° | 103.0° |
| CAW | CAX | CAS | 113.4° | 109.9° |
| CAW | CAX | NAO | 104.8° | 107.2° |
| CAW | CAX | H2 | 110.0° | 110.0° |
| CAX | CAW | H3 | 110.8° | 110.7° |
| CAW | CAM | CAV | 96.0° | 101.7° |
| CAM | CAW | H3 | 110.8° | 110.7° |
| CAW | CAM | H13 | 112.7° | 110.9° |
| CAW | CAM | H14 | 112.7° | 111.0° |
| OAF | CAS | CAX | 117.1° | 120.0° |
| OAF | CAS | OAH | 124.0° | 120.0° |
| CAS | CAX | NAO | 106.2° | 109.9° |
| CAX | CAS | OAH | 118.8° | 120.0° |
| CAS | CAX | H2 | 110.7° | 109.9° |
| CAX | NAO | CAV | 101.2° | 108.6° |
| NAO | CAX | H2 | 111.6° | 109.9° |
| CAX | NAO | H15 | 111.5° | 110.9° |
| CAS | OAH | H1 | 109.5° | 116.9° |
| CAM | CAV | NAO | 102.5° | 104.8° |
| CAM | CAV | CAY | 128.7° | 110.3° |
| CAV | CAM | H13 | 112.7° | 111.0° |
| CAV | CAM | H14 | 112.7° | 111.0° |
| CAM | CAV | H17 | 103.0° | 110.4° |
| NAO | CAV | CAY | 113.0° | 110.4° |
| CAV | NAO | H15 | 111.5° | 111.1° |
| NAO | CAV | H17 | 103.7° | 110.4° |
| CAV | CAY | CAT | 99.9° | 109.5° |
| CAV | CAY | CAR | 123.1° | 109.4° |
| CAY | CAV | H17 | 103.0° | 110.5° |
| CAV | CAY | H18 | 103.3° | 109.5° |
| CAT | CAY | CAR | 121.3° | 109.5° |
| CAY | CAT | OAG | 115.3° | 120.0° |
| CAT | CAY | H18 | 103.4° | 109.5° |
| CAY | CAT | H22 | 122.3° | 120.0° |
| CAY | CAR | CAA | 118.3° | 120.0° |
| CAY | CAR | OAE | 122.5° | 120.0° |
| CAR | CAY | H18 | 103.1° | 109.4° |
| OAG | CAT | H22 | 122.3° | 119.9° |
| CAA | CAR | OAE | 118.7° | 120.0° |
| CAR | CAA | H19 | 109.5° | 109.5° |
| CAR | CAA | H20 | 109.4° | 109.4° |
| CAR | CAA | H21 | 109.5° | 109.4° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H8 | CAJ | H9 | 109.4° | 109.4° |
| H10 | NAB | H11 | 109.4° | 111.0° |
| H13 | CAM | H14 | 109.5° | 110.9° |
| H19 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | NAN | CAK | H6 | 121.8° | 124.0° |
| NAN | CAJ | NAB | H8 | 120.2° | 120.1° |
| NAN | CAJ | NAB | H9 | 120.2° | 120.0° |
| CAJ | NAN | CAK | SAQ | 12.1° | 95.3° |
| CAJ | NAN | CAK | H4 | 132.5° | 24.8° |
| CAJ | NAN | CAK | H5 | 108.3° | 144.8° |
| NAN | CAJ | H8 | H9 | 119.4° | 120.1° |
| NAN | CAJ | NAB | H10 | 180.0° | 56.1° |
| NAN | CAJ | NAB | H11 | 60.0° | 180.0° |
| CAK | NAN | CAJ | NAB | 81.8° | 95.0° |
| NAN | CAK | SAQ | H4 | 120.4° | 120.0° |
| NAN | CAK | SAQ | H5 | 120.4° | 120.0° |
| NAN | CAK | SAQ | CAW | 121.7° | 74.9° |
| NAN | CAK | H4 | H5 | 118.8° | 120.0° |
| CAK | NAN | CAJ | H8 | 38.4° | 145.0° |
| CAK | NAN | CAJ | H9 | 158.0° | 24.9° |
| NAB | CAJ | NAN | H6 | 40.0° | 141.0° |
| NAB | CAJ | H8 | H9 | 119.4° | 119.9° |
| CAJ | NAB | H10 | H11 | 120.0° | 124.0° |
| CAK | SAQ | CAW | CAX | 132.8° | 173.8° |
| CAK | SAQ | CAW | CAM | 110.9° | 72.6° |
| CAK | SAQ | CAW | H3 | 13.6° | 50.6° |
| SAQ | CAK | H4 | H5 | 118.8° | 120.0° |
| SAQ | CAK | NAN | H6 | 109.7° | 28.7° |
| SAQ | CAW | CAX | CAM | 123.0° | 118.4° |
| SAQ | CAW | CAX | H3 | 117.2° | 123.3° |
| SAQ | CAW | CAM | H3 | 123.0° | 123.3° |
| SAQ | CAW | CAX | CAS | 124.6° | 99.9° |
| SAQ | CAW | CAX | NAO | 120.0° | 140.7° |
| SAQ | CAW | CAM | CAV | 144.7° | 154.1° |
| SAQ | CAW | CAX | H2 | 0.1° | 21.2° |
| CAW | SAQ | CAK | H4 | 1.3° | 165.1° |
| CAW | SAQ | CAK | H5 | 117.9° | 45.0° |
| SAQ | CAW | CAM | H13 | 97.6° | 87.9° |
| SAQ | CAW | CAM | H14 | 26.9° | 35.9° |
| CAX | CAW | CAM | H3 | 119.8° | 118.3° |
| CAW | CAX | CAS | OAF | 135.0° | 93.5° |
| CAW | CAX | CAS | NAO | 114.6° | 117.8° |
| CAW | CAX | CAS | H2 | 124.2° | 121.2° |
| CAW | CAX | NAO | H2 | 119.0° | 119.5° |
| CAW | CAX | CAS | OAH | 48.1° | 86.7° |
| CAX | CAW | CAM | CAV | 27.5° | 35.7° |
| CAW | CAX | NAO | CAV | 34.6° | 1.0° |
| CAX | CAW | CAM | H13 | 145.2° | 153.7° |
| CAX | CAW | CAM | H14 | 90.3° | 82.5° |
| CAW | CAX | NAO | H15 | 84.1° | 121.3° |
| CAM | CAW | CAX | CAS | 112.3° | 141.7° |
| CAM | CAW | CAX | NAO | 3.1° | 22.3° |
| CAW | CAM | CAV | H13 | 117.7° | 118.0° |
| CAW | CAM | CAV | H14 | 117.7° | 118.1° |
| CAW | CAM | CAV | NAO | 50.1° | 37.1° |
| CAW | CAM | CAV | CAY | 176.2° | 155.9° |
| CAM | CAW | CAX | H2 | 123.1° | 97.2° |
| CAW | CAM | H13 | H14 | 126.3° | 123.8° |
| CAW | CAM | CAV | H17 | 57.4° | 81.7° |
| OAF | CAS | CAX | OAH | 176.9° | 179.8° |
| OAF | CAS | CAX | NAO | 110.4° | 24.2° |
| OAF | CAS | OAH | H1 | 0.0° | 0.1° |
| OAF | CAS | CAX | H2 | 10.9° | 145.3° |
| CAS | CAX | NAO | H2 | 120.7° | 121.1° |
| CAS | CAX | NAO | CAV | 85.8° | 118.4° |
| CAX | CAS | OAH | H1 | 176.7° | 179.7° |
| CAS | CAX | CAW | H3 | 7.5° | 23.3° |
| CAS | CAX | NAO | H15 | 155.6° | 119.3° |
| NAO | CAX | CAS | OAH | 66.5° | 155.5° |
| CAX | NAO | CAV | CAM | 55.0° | 24.1° |
| CAX | NAO | CAV | H15 | 118.6° | 122.2° |
| CAX | NAO | CAV | CAY | 162.8° | 142.9° |
| NAO | CAX | CAW | H3 | 122.9° | 96.1° |
| CAX | NAO | CAV | H17 | 52.0° | 94.7° |
| OAH | CAS | CAX | H2 | 172.2° | 34.5° |
| CAM | CAV | NAO | CAY | 142.2° | 118.8° |
| CAM | CAV | NAO | H17 | 106.9° | 118.8° |
| CAM | CAV | CAY | H17 | 118.7° | 122.3° |
| CAM | CAV | CAY | CAT | 99.9° | 65.0° |
| CAM | CAV | CAY | CAR | 38.1° | 175.0° |
| CAV | CAM | CAW | H3 | 92.3° | 82.6° |
| CAV | CAM | H13 | H14 | 126.3° | 123.9° |
| CAM | CAV | NAO | H15 | 63.7° | 98.1° |
| CAM | CAV | CAY | H18 | 153.6° | 55.1° |
| NAO | CAV | CAY | H17 | 111.3° | 122.3° |
| NAO | CAV | CAY | CAT | 130.1° | 50.3° |
| NAO | CAV | CAY | CAR | 91.9° | 69.7° |
| CAV | NAO | CAX | H2 | 153.6° | 120.5° |
| NAO | CAV | CAM | H13 | 167.8° | 155.1° |
| NAO | CAV | CAM | H14 | 67.6° | 81.0° |
| NAO | CAV | CAY | H18 | 23.6° | 170.4° |
| CAV | CAY | CAT | CAR | 139.0° | 120.0° |
| CAV | CAY | CAT | H18 | 106.3° | 120.1° |
| CAV | CAY | CAR | H18 | 115.6° | 119.9° |
| CAV | CAY | CAT | OAG | 115.5° | 120.0° |
| CAV | CAY | CAR | CAA | 63.2° | 155.0° |
| CAV | CAY | CAR | OAE | 124.7° | 25.1° |
| CAY | CAV | CAM | H13 | 58.4° | 86.1° |
| CAY | CAV | CAM | H14 | 66.1° | 37.8° |
| CAY | CAV | NAO | H15 | 78.5° | 20.7° |
| CAV | CAY | CAT | H22 | 64.4° | 59.9° |
| CAT | CAY | CAR | H18 | 114.8° | 120.0° |
| CAY | CAT | OAG | H22 | 180.0° | 179.9° |
| CAT | CAY | CAR | CAA | 167.3° | 85.0° |
| CAT | CAY | CAR | OAE | 4.8° | 95.0° |
| CAT | CAY | CAV | H17 | 18.8° | 172.7° |
| CAR | CAY | CAT | OAG | 105.4° | 120.0° |
| CAY | CAR | CAA | OAE | 172.4° | 179.9° |
| CAR | CAY | CAV | H17 | 156.8° | 52.7° |
| CAY | CAR | CAA | H19 | 172.4° | 89.9° |
| CAY | CAR | CAA | H20 | 67.6° | 150.0° |
| CAY | CAR | CAA | H21 | 52.4° | 30.1° |
| CAR | CAY | CAT | H22 | 74.6° | 60.1° |
| OAG | CAT | CAY | H18 | 9.2° | 0.1° |
| CAA | CAR | CAY | H18 | 52.4° | 35.1° |
| CAR | CAA | H19 | H20 | 120.0° | 120.0° |
| CAR | CAA | H19 | H21 | 120.0° | 120.0° |
| CAR | CAA | H20 | H21 | 120.0° | 119.9° |
| OAE | CAR | CAY | H18 | 119.7° | 145.0° |
| OAE | CAR | CAA | H19 | 0.0° | 90.0° |
| OAE | CAR | CAA | H20 | 120.0° | 30.1° |
| OAE | CAR | CAA | H21 | 120.0° | 150.0° |
| H2 | CAX | CAW | H3 | 117.1° | 144.4° |
| H2 | CAX | NAO | H15 | 34.9° | 1.8° |
| H3 | CAW | CAM | H13 | 25.4° | 35.4° |
| H3 | CAW | CAM | H14 | 149.9° | 159.2° |
| H4 | CAK | NAN | H6 | 10.6° | 148.7° |
| H5 | CAK | NAN | H6 | 129.8° | 91.3° |
| H6 | NAN | CAJ | H8 | 160.2° | 21.0° |
| H6 | NAN | CAJ | H9 | 80.2° | 99.0° |
| H8 | CAJ | NAB | H10 | 59.8° | 64.0° |
| H8 | CAJ | NAB | H11 | 179.8° | 59.9° |
| H9 | CAJ | NAB | H10 | 59.8° | 176.0° |
| H9 | CAJ | NAB | H11 | 60.2° | 60.0° |
| H13 | CAM | CAV | H17 | 60.3° | 36.3° |
| H14 | CAM | CAV | H17 | 175.1° | 160.2° |
| H15 | NAO | CAV | H17 | 170.6° | 143.1° |
| H17 | CAV | CAY | H18 | 87.6° | 67.2° |
| H18 | CAY | CAT | H22 | 170.7° | 180.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
