22H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAQ | doub | 1.21Å | 1.23Å | |
| CAB | CAS | sing | 1.53Å | 1.51Å | |
| CAQ | NAN | sing | 1.35Å | 1.46Å | |
| CAQ | CAA | sing | 1.51Å | 1.52Å | |
| OAD | CAR | doub | 1.21Å | 1.26Å | |
| OAG | CAR | sing | 1.34Å | 1.27Å | |
| CAR | CAS | sing | 1.51Å | 1.50Å | |
| CAS | OAP | sing | 1.43Å | 1.39Å | |
| NAN | CAU | sing | 1.47Å | 1.46Å | |
| OAP | CAW | sing | 1.43Å | 1.38Å | |
| CAU | CAW | sing | 1.53Å | 1.49Å | |
| CAU | CAL | sing | 1.53Å | 1.50Å | |
| CAW | CAV | sing | 1.53Å | 1.52Å | |
| OAH | CAT | sing | 1.43Å | 1.38Å | |
| OAF | CAL | sing | 1.43Å | 1.25Å | |
| CAT | CAV | sing | 1.53Å | 1.49Å | |
| CAT | CAM | sing | 1.53Å | 1.50Å | |
| CAV | OAI | sing | 1.43Å | 1.37Å | |
| CAM | OAO | sing | 1.43Å | 1.38Å | |
| OAO | PAX | sing | 1.61Å | 1.56Å | |
| PAX | OAK | doub | 1.48Å | 1.52Å | |
| PAX | OAJ | sing | 1.61Å | 1.52Å | |
| PAX | OAE | sing | 1.61Å | 1.56Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| NAN | H15 | sing | 0.97Å | 1.00Å | |
| OAE | H16 | sing | 0.97Å | 0.95Å | |
| OAG | H17 | sing | 0.97Å | 0.95Å | |
| OAH | H18 | sing | 0.97Å | 0.95Å | |
| OAI | H19 | sing | 0.97Å | 0.95Å | |
| OAJ | H20 | sing | 0.97Å | 0.95Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| OAF | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAQ | NAN | 119.1° | 120.0° |
| OAC | CAQ | CAA | 119.6° | 120.0° |
| CAB | CAS | CAR | 111.5° | 109.5° |
| CAB | CAS | OAP | 110.5° | 109.5° |
| CAS | CAB | H4 | 109.5° | 109.5° |
| CAS | CAB | H5 | 109.5° | 109.5° |
| CAS | CAB | H6 | 109.5° | 109.4° |
| CAB | CAS | H10 | 108.2° | 109.5° |
| NAN | CAQ | CAA | 121.3° | 120.0° |
| CAQ | NAN | CAU | 124.1° | 120.0° |
| CAQ | NAN | H15 | 118.0° | 120.0° |
| CAQ | CAA | H1 | 109.5° | 109.5° |
| CAQ | CAA | H2 | 109.5° | 109.5° |
| CAQ | CAA | H3 | 109.5° | 109.4° |
| OAD | CAR | OAG | 120.0° | 120.0° |
| OAD | CAR | CAS | 119.6° | 120.0° |
| OAG | CAR | CAS | 120.3° | 120.0° |
| CAR | OAG | H17 | 109.5° | 116.9° |
| CAR | CAS | OAP | 108.5° | 109.5° |
| CAR | CAS | H10 | 108.3° | 109.5° |
| CAS | OAP | CAW | 121.5° | 114.0° |
| OAP | CAS | H10 | 109.9° | 109.5° |
| NAN | CAU | CAW | 112.1° | 109.5° |
| NAN | CAU | CAL | 116.8° | 109.5° |
| NAN | CAU | H12 | 102.4° | 109.4° |
| CAU | NAN | H15 | 118.0° | 120.0° |
| OAP | CAW | CAU | 106.9° | 109.5° |
| OAP | CAW | CAV | 106.6° | 109.5° |
| OAP | CAW | H14 | 111.1° | 109.4° |
| CAW | CAU | CAL | 118.1° | 109.5° |
| CAU | CAW | CAV | 113.6° | 109.5° |
| CAW | CAU | H12 | 102.1° | 109.5° |
| CAU | CAW | H14 | 109.4° | 109.5° |
| CAU | CAL | OAF | 122.4° | 109.5° |
| CAU | CAL | H7 | 106.2° | 109.5° |
| CAL | CAU | H12 | 102.1° | 109.5° |
| CAU | CAL | H21 | 106.1° | 109.5° |
| CAW | CAV | CAT | 108.2° | 109.5° |
| CAW | CAV | OAI | 110.0° | 109.5° |
| CAW | CAV | H13 | 109.4° | 109.4° |
| CAV | CAW | H14 | 109.2° | 109.5° |
| OAH | CAT | CAV | 110.0° | 109.5° |
| OAH | CAT | CAM | 109.8° | 109.5° |
| OAH | CAT | H11 | 110.6° | 109.5° |
| CAT | OAH | H18 | 109.5° | 114.0° |
| OAF | CAL | H7 | 106.1° | 109.5° |
| OAF | CAL | H21 | 106.1° | 109.5° |
| CAL | OAF | H22 | 109.5° | 114.0° |
| CAV | CAT | CAM | 108.6° | 109.5° |
| CAT | CAV | OAI | 107.8° | 109.5° |
| CAV | CAT | H11 | 108.9° | 109.5° |
| CAT | CAV | H13 | 109.8° | 109.5° |
| CAT | CAM | OAO | 114.3° | 109.5° |
| CAT | CAM | H8 | 108.2° | 109.5° |
| CAT | CAM | H9 | 108.2° | 109.4° |
| CAM | CAT | H11 | 108.8° | 109.4° |
| OAI | CAV | H13 | 111.5° | 109.5° |
| CAV | OAI | H19 | 109.5° | 114.0° |
| CAM | OAO | PAX | 120.2° | 123.0° |
| OAO | CAM | H8 | 108.2° | 109.5° |
| OAO | CAM | H9 | 108.3° | 109.5° |
| OAO | PAX | OAK | 106.6° | 109.5° |
| OAO | PAX | OAJ | 110.7° | 109.5° |
| OAO | PAX | OAE | 110.0° | 109.5° |
| OAK | PAX | OAJ | 110.6° | 109.5° |
| OAK | PAX | OAE | 111.5° | 109.5° |
| OAJ | PAX | OAE | 107.5° | 109.5° |
| PAX | OAJ | H20 | 109.5° | 114.0° |
| PAX | OAE | H16 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAL | H21 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAQ | NAN | CAA | 179.7° | 180.0° |
| OAC | CAQ | NAN | CAU | 179.2° | 0.0° |
| OAC | CAQ | CAA | H1 | 0.0° | 90.0° |
| OAC | CAQ | CAA | H2 | 120.0° | 30.0° |
| OAC | CAQ | CAA | H3 | 120.0° | 150.0° |
| OAC | CAQ | NAN | H15 | 0.9° | 180.0° |
| CAB | CAS | CAR | OAD | 31.0° | 115.0° |
| CAB | CAS | CAR | OAG | 149.9° | 65.0° |
| CAB | CAS | CAR | OAP | 121.8° | 120.0° |
| CAB | CAS | CAR | H10 | 119.0° | 120.0° |
| CAB | CAS | OAP | H10 | 119.3° | 120.0° |
| CAB | CAS | OAP | CAW | 49.9° | 90.0° |
| CAS | CAB | H4 | H5 | 120.0° | 120.0° |
| CAS | CAB | H4 | H6 | 120.0° | 120.0° |
| CAS | CAB | H5 | H6 | 120.0° | 120.0° |
| CAQ | NAN | CAU | H15 | 180.0° | 180.0° |
| CAQ | NAN | CAU | CAW | 89.8° | 85.0° |
| CAQ | NAN | CAU | CAL | 51.0° | 155.0° |
| NAN | CAQ | CAA | H1 | 179.7° | 90.0° |
| NAN | CAQ | CAA | H2 | 60.3° | 150.0° |
| NAN | CAQ | CAA | H3 | 59.7° | 30.0° |
| CAQ | NAN | CAU | H12 | 161.5° | 35.0° |
| CAA | CAQ | NAN | CAU | 0.5° | 180.0° |
| CAQ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAA | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAQ | NAN | H15 | 179.5° | 0.0° |
| OAD | CAR | OAG | CAS | 179.1° | 180.0° |
| OAD | CAR | CAS | OAP | 90.8° | 5.0° |
| OAD | CAR | CAS | H10 | 150.0° | 125.0° |
| OAD | CAR | OAG | H17 | 0.0° | 0.1° |
| OAG | CAR | CAS | OAP | 88.3° | 175.0° |
| OAG | CAR | CAS | H10 | 31.0° | 55.0° |
| CAR | CAS | OAP | H10 | 118.2° | 120.0° |
| CAR | CAS | OAP | CAW | 172.4° | 150.0° |
| CAR | CAS | CAB | H4 | 180.0° | 60.0° |
| CAR | CAS | CAB | H5 | 60.0° | 60.0° |
| CAR | CAS | CAB | H6 | 60.0° | 180.0° |
| CAS | CAR | OAG | H17 | 179.1° | 180.0° |
| CAS | OAP | CAW | CAU | 82.6° | 90.0° |
| CAS | OAP | CAW | CAV | 155.6° | 150.0° |
| OAP | CAS | CAB | H4 | 59.4° | 180.0° |
| OAP | CAS | CAB | H5 | 179.4° | 60.0° |
| OAP | CAS | CAB | H6 | 60.6° | 60.0° |
| CAS | OAP | CAW | H14 | 36.8° | 30.0° |
| NAN | CAU | CAW | OAP | 80.1° | 60.0° |
| NAN | CAU | CAW | CAL | 140.2° | 120.0° |
| NAN | CAU | CAW | H12 | 108.9° | 120.0° |
| NAN | CAU | CAL | H12 | 110.7° | 120.0° |
| NAN | CAU | CAW | CAV | 162.6° | 180.0° |
| NAN | CAU | CAL | OAF | 25.1° | 65.0° |
| NAN | CAU | CAL | H7 | 96.7° | 175.0° |
| NAN | CAU | CAW | H14 | 40.4° | 59.9° |
| NAN | CAU | CAL | H21 | 146.9° | 55.0° |
| OAP | CAW | CAU | CAV | 117.3° | 120.0° |
| OAP | CAW | CAU | H14 | 120.4° | 119.9° |
| OAP | CAW | CAU | CAL | 139.7° | 180.0° |
| OAP | CAW | CAV | H14 | 120.2° | 120.0° |
| OAP | CAW | CAV | CAT | 63.2° | 55.0° |
| OAP | CAW | CAV | OAI | 54.4° | 65.0° |
| CAW | OAP | CAS | H10 | 69.4° | 30.0° |
| OAP | CAW | CAU | H12 | 28.8° | 60.0° |
| OAP | CAW | CAV | H13 | 177.3° | 175.0° |
| CAW | CAU | CAL | H12 | 110.9° | 120.0° |
| CAU | CAW | CAV | H14 | 122.4° | 120.0° |
| CAW | CAU | CAL | OAF | 163.5° | 55.0° |
| CAU | CAW | CAV | CAT | 179.4° | 175.0° |
| CAU | CAW | CAV | OAI | 63.0° | 55.0° |
| CAW | CAU | CAL | H7 | 41.7° | 65.0° |
| CAU | CAW | CAV | H13 | 59.9° | 65.0° |
| CAW | CAU | NAN | H15 | 90.2° | 95.0° |
| CAW | CAU | CAL | H21 | 74.7° | 175.1° |
| CAL | CAU | CAW | CAV | 22.4° | 60.0° |
| CAU | CAL | OAF | H7 | 121.8° | 120.0° |
| CAU | CAL | OAF | H21 | 121.8° | 120.1° |
| CAU | CAL | H7 | H21 | 114.1° | 120.0° |
| CAL | CAU | CAW | H14 | 99.8° | 60.1° |
| CAL | CAU | NAN | H15 | 129.0° | 25.0° |
| CAU | CAL | OAF | H22 | 180.0° | 180.0° |
| CAW | CAV | CAT | OAH | 62.6° | 60.0° |
| CAW | CAV | CAT | OAI | 119.0° | 120.0° |
| CAW | CAV | CAT | H13 | 119.3° | 120.0° |
| CAW | CAV | CAT | CAM | 177.2° | 180.0° |
| CAW | CAV | OAI | H13 | 121.6° | 120.0° |
| CAW | CAV | CAT | H11 | 58.8° | 60.0° |
| CAV | CAW | CAU | H12 | 88.5° | 60.0° |
| CAW | CAV | OAI | H19 | 180.0° | 60.0° |
| OAH | CAT | CAV | CAM | 120.2° | 120.0° |
| OAH | CAT | CAV | H11 | 121.4° | 120.0° |
| OAH | CAT | CAM | H11 | 121.2° | 120.0° |
| OAH | CAT | CAV | OAI | 178.4° | 180.0° |
| OAH | CAT | CAM | OAO | 43.9° | 65.0° |
| OAH | CAT | CAM | H8 | 76.8° | 175.0° |
| OAH | CAT | CAM | H9 | 164.6° | 55.0° |
| OAH | CAT | CAV | H13 | 56.7° | 60.0° |
| OAF | CAL | H7 | H21 | 114.2° | 120.0° |
| OAF | CAL | CAU | H12 | 85.5° | 175.0° |
| CAV | CAT | CAM | H11 | 118.5° | 120.0° |
| CAT | CAV | OAI | H13 | 120.6° | 120.0° |
| CAV | CAT | CAM | OAO | 76.4° | 175.0° |
| CAV | CAT | CAM | H8 | 162.9° | 55.0° |
| CAV | CAT | CAM | H9 | 44.3° | 65.0° |
| CAT | CAV | CAW | H14 | 57.0° | 65.0° |
| CAV | CAT | OAH | H18 | 180.0° | 60.0° |
| CAT | CAV | OAI | H19 | 62.2° | 60.0° |
| CAM | CAT | CAV | OAI | 58.2° | 60.0° |
| CAT | CAM | OAO | H8 | 120.7° | 120.0° |
| CAT | CAM | OAO | H9 | 120.7° | 120.0° |
| CAT | CAM | OAO | PAX | 175.3° | 180.0° |
| CAT | CAM | H8 | H9 | 117.8° | 120.0° |
| CAM | CAT | CAV | H13 | 63.5° | 60.0° |
| CAM | CAT | OAH | H18 | 60.5° | 60.0° |
| OAI | CAV | CAT | H11 | 60.2° | 60.0° |
| OAI | CAV | CAW | H14 | 174.6° | 175.0° |
| CAM | OAO | PAX | OAK | 55.0° | 55.0° |
| CAM | OAO | PAX | OAJ | 175.4° | 65.0° |
| CAM | OAO | PAX | OAE | 66.0° | 175.0° |
| OAO | CAM | H8 | H9 | 117.8° | 120.0° |
| OAO | CAM | CAT | H11 | 165.1° | 55.0° |
| OAO | PAX | OAK | OAJ | 120.4° | 120.0° |
| OAO | PAX | OAK | OAE | 120.0° | 120.0° |
| OAO | PAX | OAJ | OAE | 120.2° | 120.0° |
| PAX | OAO | CAM | H8 | 64.0° | 60.0° |
| PAX | OAO | CAM | H9 | 54.6° | 60.0° |
| OAO | PAX | OAE | H16 | 118.0° | 180.0° |
| OAO | PAX | OAJ | H20 | 117.9° | 60.0° |
| OAK | PAX | OAJ | OAE | 121.9° | 120.0° |
| OAK | PAX | OAE | H16 | 0.0° | 60.0° |
| OAK | PAX | OAJ | H20 | 0.0° | 180.0° |
| OAJ | PAX | OAE | H16 | 121.4° | 60.0° |
| OAE | PAX | OAJ | H20 | 121.9° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H4 | CAB | CAS | H10 | 61.0° | 60.0° |
| H5 | CAB | CAS | H10 | 59.0° | 180.0° |
| H6 | CAB | CAS | H10 | 179.0° | 60.0° |
| H7 | CAL | CAU | H12 | 152.7° | 55.0° |
| H7 | CAL | OAF | H22 | 58.2° | 59.9° |
| H8 | CAM | CAT | H11 | 44.4° | 65.0° |
| H9 | CAM | CAT | H11 | 74.2° | 175.0° |
| H11 | CAT | CAV | H13 | 178.1° | 180.0° |
| H11 | CAT | OAH | H18 | 59.6° | 180.0° |
| H12 | CAU | CAW | H14 | 149.3° | 179.9° |
| H12 | CAU | NAN | H15 | 18.5° | 145.0° |
| H12 | CAU | CAL | H21 | 36.3° | 64.9° |
| H13 | CAV | CAW | H14 | 62.5° | 55.0° |
| H13 | CAV | OAI | H19 | 58.4° | 180.0° |
| H21 | CAL | OAF | H22 | 58.2° | 60.0° |
