U67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | NAK | sing | 1.47Å | 1.50Å | |
| CAH | CAG | sing | 1.53Å | 1.57Å | |
| CAG | CAI | sing | 1.53Å | 1.55Å | |
| CAI | CAN | sing | 1.53Å | 1.54Å | |
| CAA | CAN | sing | 1.53Å | 1.52Å | |
| CAN | CAB | sing | 1.53Å | 1.56Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| NAK | H14 | sing | 1.01Å | 1.00Å | |
| NAK | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAK | CAH | CAG | 114.5° | 109.5° |
| NAK | CAH | H12 | 108.2° | 109.4° |
| NAK | CAH | H13 | 108.2° | 109.5° |
| CAH | NAK | H14 | 109.5° | 111.0° |
| CAH | NAK | H16 | 109.5° | 111.0° |
| CAH | CAG | CAI | 116.0° | 109.5° |
| CAH | CAG | H10 | 107.8° | 109.4° |
| CAH | CAG | H11 | 107.8° | 109.5° |
| CAG | CAH | H12 | 108.2° | 109.5° |
| CAG | CAH | H13 | 108.2° | 109.5° |
| CAG | CAI | CAN | 112.9° | 109.5° |
| CAG | CAI | H8 | 108.6° | 109.5° |
| CAG | CAI | H9 | 108.6° | 109.5° |
| CAI | CAG | H10 | 107.8° | 109.5° |
| CAI | CAG | H11 | 107.8° | 109.5° |
| CAI | CAN | CAA | 110.0° | 109.5° |
| CAI | CAN | CAB | 113.9° | 109.5° |
| CAI | CAN | H4 | 107.1° | 109.5° |
| CAN | CAI | H8 | 108.6° | 109.5° |
| CAN | CAI | H9 | 108.6° | 109.5° |
| CAA | CAN | CAB | 111.3° | 109.5° |
| CAN | CAA | H1 | 109.5° | 109.5° |
| CAN | CAA | H2 | 109.4° | 109.5° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAA | CAN | H4 | 107.3° | 109.4° |
| CAB | CAN | H4 | 106.8° | 109.4° |
| CAN | CAB | H5 | 109.5° | 109.5° |
| CAN | CAB | H6 | 109.4° | 109.5° |
| CAN | CAB | H7 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.4° |
| H8 | CAI | H9 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.5° | 109.5° |
| H14 | NAK | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAK | CAH | CAG | H12 | 120.7° | 119.9° |
| NAK | CAH | CAG | H13 | 120.8° | 120.0° |
| NAK | CAH | CAG | CAI | 59.8° | 180.0° |
| NAK | CAH | CAG | H10 | 61.1° | 60.0° |
| NAK | CAH | CAG | H11 | 179.2° | 60.0° |
| NAK | CAH | H12 | H13 | 117.7° | 120.0° |
| CAH | NAK | H14 | H16 | 120.0° | 123.9° |
| CAH | CAG | CAI | H10 | 121.0° | 120.0° |
| CAH | CAG | CAI | H11 | 121.0° | 120.0° |
| CAH | CAG | CAI | CAN | 94.3° | 180.0° |
| CAH | CAG | CAI | H8 | 26.2° | 60.0° |
| CAH | CAG | CAI | H9 | 145.2° | 60.0° |
| CAH | CAG | H10 | H11 | 117.0° | 120.0° |
| CAG | CAH | H12 | H13 | 117.7° | 120.0° |
| CAG | CAH | NAK | H14 | 180.0° | 56.0° |
| CAG | CAH | NAK | H16 | 60.0° | 180.0° |
| CAG | CAI | CAN | H8 | 120.5° | 120.0° |
| CAG | CAI | CAN | H9 | 120.5° | 120.0° |
| CAG | CAI | CAN | CAA | 76.3° | 65.0° |
| CAG | CAI | CAN | CAB | 158.0° | 175.0° |
| CAG | CAI | CAN | H4 | 40.1° | 55.0° |
| CAG | CAI | H8 | H9 | 118.4° | 120.0° |
| CAI | CAG | H10 | H11 | 117.0° | 120.0° |
| CAI | CAG | CAH | H12 | 179.4° | 60.0° |
| CAI | CAG | CAH | H13 | 60.9° | 60.0° |
| CAI | CAN | CAA | CAB | 127.2° | 120.0° |
| CAI | CAN | CAA | H4 | 116.2° | 120.1° |
| CAI | CAN | CAB | H4 | 118.1° | 120.0° |
| CAI | CAN | CAA | H1 | 180.0° | 60.0° |
| CAI | CAN | CAA | H2 | 60.0° | 180.0° |
| CAI | CAN | CAA | H3 | 60.0° | 60.0° |
| CAI | CAN | CAB | H5 | 180.0° | 60.0° |
| CAI | CAN | CAB | H6 | 60.0° | 60.0° |
| CAI | CAN | CAB | H7 | 60.0° | 180.0° |
| CAN | CAI | H8 | H9 | 118.5° | 120.0° |
| CAN | CAI | CAG | H10 | 144.7° | 60.0° |
| CAN | CAI | CAG | H11 | 26.6° | 60.0° |
| CAA | CAN | CAB | H4 | 116.8° | 119.9° |
| CAN | CAA | H1 | H2 | 120.0° | 120.1° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | CAB | H5 | 54.9° | 60.0° |
| CAA | CAN | CAB | H6 | 174.9° | 180.0° |
| CAA | CAN | CAB | H7 | 65.1° | 60.0° |
| CAA | CAN | CAI | H8 | 163.2° | 175.0° |
| CAA | CAN | CAI | H9 | 44.2° | 55.0° |
| CAB | CAN | CAA | H1 | 52.7° | 60.0° |
| CAB | CAN | CAA | H2 | 67.2° | 60.0° |
| CAB | CAN | CAA | H3 | 172.8° | 179.9° |
| CAN | CAB | H5 | H6 | 120.0° | 120.0° |
| CAN | CAB | H5 | H7 | 120.0° | 120.0° |
| CAN | CAB | H6 | H7 | 120.0° | 120.0° |
| CAB | CAN | CAI | H8 | 37.5° | 55.0° |
| CAB | CAN | CAI | H9 | 81.5° | 65.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H4 | 63.8° | 179.9° |
| H2 | CAA | CAN | H4 | 176.3° | 59.9° |
| H3 | CAA | CAN | H4 | 56.2° | 60.0° |
| H4 | CAN | CAB | H5 | 61.9° | 180.0° |
| H4 | CAN | CAB | H6 | 58.1° | 60.0° |
| H4 | CAN | CAB | H7 | 178.1° | 60.0° |
| H4 | CAN | CAI | H8 | 80.4° | 65.0° |
| H4 | CAN | CAI | H9 | 160.6° | 175.0° |
| H5 | CAB | H6 | H7 | 120.0° | 120.0° |
| H8 | CAI | CAG | H10 | 94.8° | 180.0° |
| H8 | CAI | CAG | H11 | 147.2° | 60.0° |
| H9 | CAI | CAG | H10 | 24.2° | 60.0° |
| H9 | CAI | CAG | H11 | 93.9° | 180.0° |
| H10 | CAG | CAH | H12 | 59.6° | 179.9° |
| H10 | CAG | CAH | H13 | 178.1° | 60.0° |
| H11 | CAG | CAH | H12 | 58.5° | 60.0° |
| H11 | CAG | CAH | H13 | 60.0° | 180.0° |
| H12 | CAH | NAK | H14 | 59.3° | 63.9° |
| H12 | CAH | NAK | H16 | 60.8° | 60.0° |
| H13 | CAH | NAK | H14 | 59.2° | 176.1° |
| H13 | CAH | NAK | H16 | 179.3° | 60.0° |
