M2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAL | sing | 1.51Å | 1.39Å | |
| CAL | CAB | sing | 1.53Å | 1.55Å | |
| CAS | CAP | sing | 1.51Å | 1.40Å | |
| CLAZ | CAO | sing | 1.74Å | 1.80Å | |
| CAP | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| NAA | CAB | sing | 1.47Å | 1.49Å | |
| NAA | C4 | sing | 1.38Å | 1.35Å | |
| CAQ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| OBD | PBA | doub | 1.48Å | 1.64Å | |
| CAB | PBA | sing | 1.82Å | 1.84Å | |
| CAR | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAJ | sing | 1.48Å | 1.36Å | |
| CAI | CAJ | doub | 1.33Å | 1.36Å | Aromatic |
| CAI | C5 | sing | 1.45Å | 1.37Å | Aromatic |
| CAJ | SAK | sing | 1.75Å | 1.62Å | Aromatic |
| C4 | C5 | doub | 1.42Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.36Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| PBA | OBC | sing | 1.61Å | 1.63Å | |
| PBA | OBB | sing | 1.61Å | 1.48Å | |
| C6 | SAK | sing | 1.76Å | 1.69Å | Aromatic |
| C6 | N1 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.31Å | 1.40Å | Aromatic |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAS | H2 | sing | 1.09Å | 1.10Å | |
| CAS | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| NAA | H9 | sing | 0.97Å | 1.00Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| OBC | H11 | sing | 0.97Å | 0.95Å | |
| OBB | H12 | sing | 0.97Å | 0.95Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAU | H15 | sing | 1.08Å | 1.08Å | |
| CAV | H16 | sing | 1.08Å | 1.08Å | |
| CAW | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| CAY | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | CAV | CAU | 120.8° | 120.0° |
| CAV | CAW | CAX | 120.0° | 120.0° |
| CAW | CAV | H16 | 119.6° | 120.0° |
| CAV | CAW | H17 | 120.0° | 120.0° |
| CAV | CAU | CAT | 119.6° | 120.0° |
| CAV | CAU | H15 | 120.2° | 120.0° |
| CAU | CAV | H16 | 119.6° | 120.0° |
| CAW | CAX | CAY | 119.3° | 120.1° |
| CAX | CAW | H17 | 120.0° | 120.0° |
| CAW | CAX | H18 | 120.4° | 119.9° |
| CAU | CAT | CAY | 120.0° | 120.0° |
| CAU | CAT | CAL | 119.3° | 120.0° |
| CAT | CAU | H15 | 120.2° | 120.0° |
| CAX | CAY | CAT | 120.4° | 120.0° |
| CAY | CAX | H18 | 120.4° | 120.0° |
| CAX | CAY | H19 | 119.8° | 120.0° |
| CAY | CAT | CAL | 120.8° | 120.0° |
| CAT | CAY | H19 | 119.8° | 120.0° |
| CAT | CAL | CAB | 110.2° | 109.5° |
| CAT | CAL | H13 | 109.3° | 109.4° |
| CAT | CAL | H14 | 109.3° | 109.4° |
| CAL | CAB | NAA | 112.4° | 109.5° |
| CAL | CAB | PBA | 107.4° | 109.5° |
| CAL | CAB | H10 | 109.6° | 109.5° |
| CAB | CAL | H13 | 109.3° | 109.5° |
| CAB | CAL | H14 | 109.3° | 109.5° |
| CAS | CAP | CAO | 120.8° | 119.9° |
| CAS | CAP | CAQ | 120.9° | 119.9° |
| CAP | CAS | H2 | 109.5° | 109.5° |
| CAP | CAS | H3 | 109.5° | 109.5° |
| CAP | CAS | H4 | 109.5° | 109.5° |
| CLAZ | CAO | CAP | 120.7° | 119.9° |
| CLAZ | CAO | CAN | 119.0° | 119.9° |
| CAO | CAP | CAQ | 118.3° | 120.3° |
| CAP | CAO | CAN | 120.4° | 120.1° |
| CAP | CAQ | CAR | 121.1° | 120.2° |
| CAP | CAQ | H5 | 119.5° | 119.9° |
| CAO | CAN | CAM | 122.0° | 119.8° |
| CAO | CAN | H1 | 119.0° | 120.1° |
| CAB | NAA | C4 | 122.6° | 120.0° |
| NAA | CAB | PBA | 110.6° | 109.4° |
| CAB | NAA | H9 | 106.1° | 120.0° |
| NAA | CAB | H10 | 110.3° | 109.5° |
| NAA | C4 | C5 | 118.8° | 120.5° |
| NAA | C4 | N3 | 118.7° | 120.5° |
| C4 | NAA | H9 | 106.1° | 120.0° |
| CAQ | CAR | CAM | 121.6° | 119.9° |
| CAR | CAQ | H5 | 119.5° | 119.9° |
| CAQ | CAR | H6 | 119.2° | 120.1° |
| CAN | CAM | CAR | 116.7° | 119.7° |
| CAN | CAM | CAJ | 121.7° | 120.1° |
| CAM | CAN | H1 | 119.0° | 120.1° |
| OBD | PBA | CAB | 103.0° | 109.5° |
| OBD | PBA | OBC | 108.3° | 109.5° |
| OBD | PBA | OBB | 114.6° | 109.5° |
| CAB | PBA | OBC | 107.6° | 109.5° |
| CAB | PBA | OBB | 111.9° | 109.5° |
| PBA | CAB | H10 | 106.4° | 109.5° |
| CAR | CAM | CAJ | 121.6° | 120.2° |
| CAM | CAR | H6 | 119.2° | 120.1° |
| CAM | CAJ | CAI | 128.1° | 124.3° |
| CAM | CAJ | SAK | 123.7° | 124.4° |
| CAJ | CAI | C5 | 115.9° | 114.6° |
| CAI | CAJ | SAK | 108.2° | 111.2° |
| CAJ | CAI | H7 | 122.0° | 122.7° |
| CAI | C5 | C4 | 130.7° | 130.4° |
| CAI | C5 | C6 | 111.5° | 112.1° |
| C5 | CAI | H7 | 122.1° | 122.7° |
| CAJ | SAK | C6 | 96.1° | 92.2° |
| C5 | C4 | N3 | 122.6° | 118.9° |
| C4 | C5 | C6 | 117.8° | 117.5° |
| C4 | N3 | C2 | 119.8° | 121.2° |
| C5 | C6 | SAK | 108.3° | 109.8° |
| C5 | C6 | N1 | 121.6° | 119.1° |
| N3 | C2 | N1 | 117.2° | 122.2° |
| N3 | C2 | H8 | 121.4° | 118.9° |
| OBC | PBA | OBB | 111.1° | 109.5° |
| PBA | OBC | H11 | 109.5° | 114.0° |
| PBA | OBB | H12 | 109.5° | 114.0° |
| SAK | C6 | N1 | 130.1° | 131.1° |
| C6 | N1 | C2 | 121.1° | 121.0° |
| N1 | C2 | H8 | 121.4° | 118.8° |
| H2 | CAS | H3 | 109.4° | 109.5° |
| H2 | CAS | H4 | 109.5° | 109.4° |
| H3 | CAS | H4 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | CAV | CAU | H16 | 180.0° | 180.0° |
| CAV | CAW | CAX | H17 | 180.0° | 180.0° |
| CAW | CAV | CAU | CAT | 0.5° | 0.1° |
| CAV | CAW | CAX | CAY | 0.3° | 0.1° |
| CAW | CAV | CAU | H15 | 179.5° | 180.0° |
| CAV | CAW | CAX | H18 | 179.6° | 180.0° |
| CAU | CAV | CAW | CAX | 0.5° | 0.0° |
| CAV | CAU | CAT | H15 | 180.0° | 179.9° |
| CAV | CAU | CAT | CAY | 0.2° | 0.1° |
| CAV | CAU | CAT | CAL | 179.6° | 179.7° |
| CAU | CAV | CAW | H17 | 179.5° | 180.0° |
| CAW | CAX | CAY | H18 | 180.0° | 179.9° |
| CAW | CAX | CAY | CAT | 0.1° | 0.1° |
| CAX | CAW | CAV | H16 | 179.5° | 180.0° |
| CAW | CAX | CAY | H19 | 179.9° | 179.7° |
| CAU | CAT | CAY | CAX | 0.0° | 0.0° |
| CAU | CAT | CAY | CAL | 179.8° | 179.7° |
| CAU | CAT | CAL | CAB | 108.2° | 92.9° |
| CAU | CAT | CAL | H13 | 131.6° | 147.1° |
| CAU | CAT | CAL | H14 | 11.9° | 27.1° |
| CAT | CAU | CAV | H16 | 179.6° | 179.9° |
| CAU | CAT | CAY | H19 | 180.0° | 179.7° |
| CAX | CAY | CAT | H19 | 180.0° | 179.7° |
| CAX | CAY | CAT | CAL | 179.8° | 179.7° |
| CAY | CAX | CAW | H17 | 179.7° | 179.9° |
| CAY | CAT | CAL | CAB | 71.6° | 86.8° |
| CAY | CAT | CAL | H13 | 48.5° | 33.3° |
| CAY | CAT | CAL | H14 | 168.3° | 153.2° |
| CAY | CAT | CAU | H15 | 179.8° | 180.0° |
| CAT | CAY | CAX | H18 | 179.9° | 180.0° |
| CAT | CAL | CAB | H13 | 120.1° | 120.0° |
| CAT | CAL | CAB | H14 | 120.1° | 120.0° |
| CAT | CAL | CAB | NAA | 60.5° | 64.7° |
| CAT | CAL | CAB | PBA | 177.6° | 175.3° |
| CAT | CAL | CAB | H10 | 62.5° | 55.3° |
| CAT | CAL | H13 | H14 | 119.6° | 119.9° |
| CAL | CAT | CAU | H15 | 0.4° | 0.3° |
| CAL | CAT | CAY | H19 | 0.2° | 0.0° |
| CAL | CAB | NAA | PBA | 120.1° | 120.0° |
| CAL | CAB | NAA | H10 | 122.6° | 120.0° |
| CAL | CAB | NAA | C4 | 132.3° | 135.0° |
| CAL | CAB | PBA | OBD | 7.3° | 55.2° |
| CAL | CAB | PBA | H10 | 117.3° | 120.0° |
| CAL | CAB | PBA | OBC | 121.6° | 64.8° |
| CAL | CAB | PBA | OBB | 116.2° | 175.2° |
| CAL | CAB | NAA | H9 | 105.9° | 45.0° |
| CAB | CAL | H13 | H14 | 119.7° | 120.0° |
| CAS | CAP | CAO | CLAZ | 0.2° | 0.0° |
| CAS | CAP | CAO | CAQ | 179.8° | 180.0° |
| CAS | CAP | CAO | CAN | 179.8° | 180.0° |
| CAS | CAP | CAQ | CAR | 179.7° | 180.0° |
| CAP | CAS | H2 | H3 | 120.0° | 120.0° |
| CAP | CAS | H2 | H4 | 120.0° | 119.9° |
| CAP | CAS | H3 | H4 | 120.0° | 120.0° |
| CAS | CAP | CAQ | H5 | 0.2° | 0.0° |
| CLAZ | CAO | CAP | CAN | 179.6° | 180.0° |
| CLAZ | CAO | CAP | CAQ | 179.7° | 180.0° |
| CLAZ | CAO | CAN | CAM | 179.7° | 180.0° |
| CLAZ | CAO | CAN | H1 | 0.3° | 0.3° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.0° |
| CAP | CAO | CAN | CAM | 0.6° | 0.0° |
| CAP | CAO | CAN | H1 | 179.3° | 179.7° |
| CAO | CAP | CAS | H2 | 90.1° | 90.0° |
| CAO | CAP | CAS | H3 | 149.9° | 150.0° |
| CAO | CAP | CAS | H4 | 29.9° | 30.0° |
| CAO | CAP | CAQ | H5 | 179.9° | 180.0° |
| CAQ | CAP | CAO | CAN | 0.0° | 0.0° |
| CAP | CAQ | CAR | H5 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAM | 0.8° | 0.1° |
| CAQ | CAP | CAS | H2 | 90.1° | 90.0° |
| CAQ | CAP | CAS | H3 | 29.9° | 30.0° |
| CAQ | CAP | CAS | H4 | 149.9° | 150.0° |
| CAP | CAQ | CAR | H6 | 179.3° | 180.0° |
| CAO | CAN | CAM | H1 | 180.0° | 179.7° |
| CAO | CAN | CAM | CAR | 1.2° | 0.0° |
| CAO | CAN | CAM | CAJ | 178.8° | 179.8° |
| CAB | NAA | C4 | H9 | 121.8° | 179.9° |
| NAA | CAB | PBA | OBD | 115.7° | 64.8° |
| NAA | CAB | PBA | H10 | 119.7° | 120.0° |
| CAB | NAA | C4 | C5 | 164.6° | 180.0° |
| CAB | NAA | C4 | N3 | 16.0° | 0.2° |
| NAA | CAB | PBA | OBC | 1.5° | 175.2° |
| NAA | CAB | PBA | OBB | 120.8° | 55.2° |
| NAA | CAB | CAL | H13 | 179.4° | 55.3° |
| NAA | CAB | CAL | H14 | 59.6° | 175.3° |
| C4 | NAA | CAB | PBA | 107.6° | 105.1° |
| NAA | C4 | C5 | CAI | 0.2° | 0.3° |
| NAA | C4 | C5 | N3 | 179.4° | 179.8° |
| NAA | C4 | C5 | C6 | 180.0° | 179.8° |
| NAA | C4 | N3 | C2 | 179.9° | 179.7° |
| C4 | NAA | CAB | H10 | 9.7° | 14.9° |
| CAQ | CAR | CAM | CAN | 1.3° | 0.1° |
| CAQ | CAR | CAM | H6 | 180.0° | 179.9° |
| CAQ | CAR | CAM | CAJ | 178.9° | 179.7° |
| CAN | CAM | CAR | CAJ | 177.6° | 179.8° |
| CAN | CAM | CAJ | CAI | 21.3° | 179.9° |
| CAN | CAM | CAJ | SAK | 155.7° | 0.0° |
| CAN | CAM | CAR | H6 | 178.7° | 180.0° |
| OBD | PBA | CAB | OBC | 114.2° | 120.0° |
| OBD | PBA | CAB | OBB | 123.5° | 120.0° |
| OBD | PBA | OBC | OBB | 126.6° | 120.0° |
| OBD | PBA | CAB | H10 | 124.6° | 175.2° |
| OBD | PBA | OBC | H11 | 0.0° | 55.0° |
| OBD | PBA | OBB | H12 | 0.0° | 60.0° |
| CAB | PBA | OBC | OBB | 122.7° | 120.0° |
| PBA | CAB | NAA | H9 | 14.2° | 75.0° |
| CAB | PBA | OBC | H11 | 110.7° | 65.0° |
| CAB | PBA | OBB | H12 | 116.7° | 60.0° |
| PBA | CAB | CAL | H13 | 57.5° | 64.7° |
| PBA | CAB | CAL | H14 | 62.2° | 55.3° |
| CAR | CAM | CAJ | CAI | 161.2° | 0.1° |
| CAR | CAM | CAJ | SAK | 21.8° | 179.8° |
| CAR | CAM | CAN | H1 | 178.7° | 179.8° |
| CAM | CAR | CAQ | H5 | 179.3° | 180.0° |
| CAM | CAJ | CAI | SAK | 177.4° | 179.9° |
| CAM | CAJ | CAI | C5 | 178.3° | 180.0° |
| CAM | CAJ | SAK | C6 | 178.2° | 179.9° |
| CAJ | CAM | CAN | H1 | 1.2° | 0.0° |
| CAJ | CAM | CAR | H6 | 1.1° | 0.2° |
| CAM | CAJ | CAI | H7 | 1.8° | 0.1° |
| CAJ | CAI | C5 | H7 | 180.0° | 179.9° |
| CAJ | CAI | C5 | C4 | 179.6° | 180.0° |
| CAJ | CAI | C5 | C6 | 0.6° | 0.1° |
| CAI | CAJ | SAK | C6 | 0.7° | 0.0° |
| C5 | CAI | CAJ | SAK | 0.9° | 0.1° |
| CAI | C5 | C4 | C6 | 179.8° | 179.9° |
| CAI | C5 | C4 | N3 | 179.6° | 179.9° |
| CAI | C5 | C6 | SAK | 0.0° | 0.0° |
| CAI | C5 | C6 | N1 | 180.0° | 180.0° |
| CAJ | SAK | C6 | C5 | 0.4° | 0.0° |
| CAJ | SAK | C6 | N1 | 179.6° | 180.0° |
| SAK | CAJ | CAI | H7 | 179.2° | 179.9° |
| C5 | C4 | N3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | SAK | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | CAI | H7 | 0.4° | 0.1° |
| C5 | C4 | NAA | H9 | 42.7° | 0.1° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| C4 | N3 | C2 | H8 | 180.0° | 180.0° |
| N3 | C4 | NAA | H9 | 137.8° | 179.7° |
| C5 | C6 | SAK | N1 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | CAI | H7 | 179.4° | 179.9° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| N3 | C2 | N1 | H8 | 180.0° | 180.0° |
| OBC | PBA | CAB | H10 | 121.2° | 55.2° |
| OBC | PBA | OBB | H12 | 123.1° | 180.0° |
| OBB | PBA | CAB | H10 | 1.1° | 64.8° |
| OBB | PBA | OBC | H11 | 126.6° | 175.0° |
| SAK | C6 | N1 | C2 | 179.6° | 180.0° |
| C6 | N1 | C2 | H8 | 179.6° | 180.0° |
| H2 | CAS | H3 | H4 | 120.0° | 120.0° |
| H5 | CAQ | CAR | H6 | 0.7° | 0.0° |
| H9 | NAA | CAB | H10 | 131.5° | 165.0° |
| H10 | CAB | CAL | H13 | 57.6° | 175.3° |
| H10 | CAB | CAL | H14 | 177.4° | 64.7° |
| H15 | CAU | CAV | H16 | 0.5° | 0.0° |
| H16 | CAV | CAW | H17 | 0.5° | 0.0° |
| H17 | CAW | CAX | H18 | 0.4° | 0.0° |
| H18 | CAX | CAY | H19 | 0.1° | 0.3° |
