10H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAP | sing | 1.52Å | 1.53Å | |
| CAL | CAK | sing | 1.51Å | 1.52Å | |
| OAB | CAP | doub | 1.21Å | 1.24Å | |
| CAP | NAT | sing | 1.35Å | 1.33Å | |
| CAK | CAN | doub | 1.32Å | 1.56Å | |
| NAT | CAN | sing | 1.38Å | 1.47Å | |
| NAT | CAQ | sing | 1.40Å | 1.37Å | |
| CAA | CAS | sing | 1.53Å | 1.59Å | |
| CAI | CAM | sing | 1.53Å | 1.51Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAQ | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAS | sing | 1.53Å | 1.53Å | |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAO | sing | 1.53Å | 1.52Å | |
| CAS | NAU | sing | 1.47Å | 1.46Å | |
| CAO | NAU | sing | 1.47Å | 1.47Å | |
| CAG | CAR | doub | 1.38Å | 1.41Å | Aromatic |
| NAU | SAV | sing | 1.66Å | 1.66Å | |
| CAH | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | SAV | sing | 1.76Å | 1.78Å | |
| SAV | OAC | doub | 1.42Å | 1.51Å | |
| SAV | OAD | doub | 1.42Å | 1.47Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAL | CAK | 104.1° | 103.7° |
| CAL | CAP | OAB | 122.8° | 127.2° |
| CAL | CAP | NAT | 112.4° | 105.7° |
| CAP | CAL | H19 | 110.8° | 110.6° |
| CAP | CAL | H20 | 110.8° | 110.6° |
| CAL | CAK | CAN | 105.1° | 106.6° |
| CAL | CAK | H18 | 127.5° | 126.7° |
| CAK | CAL | H19 | 110.8° | 110.9° |
| CAK | CAL | H20 | 110.8° | 110.3° |
| OAB | CAP | NAT | 124.6° | 127.1° |
| CAP | NAT | CAN | 111.2° | 111.5° |
| CAP | NAT | CAQ | 128.5° | 124.2° |
| CAK | CAN | NAT | 106.5° | 112.5° |
| CAK | CAN | H17 | 126.8° | 123.8° |
| CAN | CAK | H18 | 127.4° | 126.7° |
| CAN | NAT | CAQ | 120.3° | 124.3° |
| NAT | CAN | H17 | 126.7° | 123.7° |
| NAT | CAQ | CAE | 124.3° | 120.0° |
| NAT | CAQ | CAF | 116.0° | 120.1° |
| CAA | CAS | CAM | 107.5° | 109.6° |
| CAA | CAS | NAU | 96.5° | 109.6° |
| CAS | CAA | H1 | 109.5° | 109.4° |
| CAS | CAA | H2 | 109.5° | 109.5° |
| CAS | CAA | H3 | 109.5° | 109.5° |
| CAA | CAS | H4 | 111.1° | 109.6° |
| CAM | CAI | CAJ | 110.2° | 109.6° |
| CAI | CAM | CAS | 114.1° | 109.3° |
| CAI | CAM | H5 | 108.3° | 109.5° |
| CAI | CAM | H6 | 108.3° | 109.5° |
| CAM | CAI | H7 | 109.3° | 109.4° |
| CAM | CAI | H8 | 109.3° | 109.4° |
| CAI | CAJ | CAO | 110.8° | 109.3° |
| CAJ | CAI | H7 | 109.3° | 109.5° |
| CAJ | CAI | H8 | 109.3° | 109.5° |
| CAI | CAJ | H9 | 109.1° | 109.5° |
| CAI | CAJ | H10 | 109.1° | 109.5° |
| CAE | CAQ | CAF | 119.6° | 119.9° |
| CAQ | CAE | CAG | 120.8° | 119.9° |
| CAQ | CAE | H16 | 119.6° | 120.0° |
| CAQ | CAF | CAH | 119.7° | 119.9° |
| CAQ | CAF | H14 | 120.2° | 120.0° |
| CAE | CAG | CAR | 119.0° | 120.1° |
| CAE | CAG | H15 | 120.5° | 119.9° |
| CAG | CAE | H16 | 119.6° | 120.1° |
| CAM | CAS | NAU | 115.7° | 108.8° |
| CAM | CAS | H4 | 111.9° | 109.7° |
| CAS | CAM | H5 | 108.3° | 109.5° |
| CAS | CAM | H6 | 108.3° | 109.5° |
| CAF | CAH | CAR | 120.5° | 120.1° |
| CAF | CAH | H13 | 119.7° | 120.0° |
| CAH | CAF | H14 | 120.2° | 120.0° |
| CAJ | CAO | NAU | 114.9° | 108.8° |
| CAO | CAJ | H9 | 109.2° | 109.5° |
| CAO | CAJ | H10 | 109.1° | 109.5° |
| CAJ | CAO | H11 | 108.1° | 109.6° |
| CAJ | CAO | H12 | 108.1° | 109.6° |
| CAS | NAU | CAO | 121.5° | 118.7° |
| CAS | NAU | SAV | 116.1° | 120.6° |
| NAU | CAS | H4 | 113.0° | 109.6° |
| CAO | NAU | SAV | 120.6° | 120.7° |
| NAU | CAO | H11 | 108.1° | 109.6° |
| NAU | CAO | H12 | 108.1° | 109.6° |
| CAG | CAR | CAH | 120.4° | 120.2° |
| CAG | CAR | SAV | 120.8° | 119.9° |
| CAR | CAG | H15 | 120.5° | 120.0° |
| NAU | SAV | CAR | 98.3° | 107.2° |
| NAU | SAV | OAC | 110.0° | 106.4° |
| NAU | SAV | OAD | 113.9° | 106.4° |
| CAH | CAR | SAV | 118.8° | 119.9° |
| CAR | CAH | H13 | 119.7° | 120.0° |
| CAR | SAV | OAC | 107.7° | 106.4° |
| CAR | SAV | OAD | 106.5° | 106.4° |
| OAC | SAV | OAD | 118.3° | 123.2° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.4° |
| H9 | CAJ | H10 | 109.5° | 109.6° |
| H11 | CAO | H12 | 109.5° | 109.6° |
| H19 | CAL | H20 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAL | CAK | H19 | 119.2° | 118.8° |
| CAP | CAL | CAK | H20 | 119.2° | 118.4° |
| CAL | CAP | OAB | NAT | 173.9° | 179.6° |
| CAP | CAL | CAK | CAN | 7.5° | 0.2° |
| CAL | CAP | NAT | CAN | 1.2° | 0.4° |
| CAL | CAP | NAT | CAQ | 178.6° | 179.9° |
| CAP | CAL | CAK | H18 | 172.5° | 179.8° |
| CAP | CAL | H19 | H20 | 122.5° | 122.8° |
| CAK | CAL | CAP | OAB | 170.4° | 180.0° |
| CAK | CAL | CAP | NAT | 4.2° | 0.4° |
| CAL | CAK | CAN | H18 | 180.0° | 180.0° |
| CAL | CAK | CAN | NAT | 8.4° | 0.0° |
| CAL | CAK | CAN | H17 | 171.6° | 179.9° |
| CAK | CAL | H19 | H20 | 122.5° | 122.7° |
| OAB | CAP | NAT | CAN | 175.7° | 179.9° |
| OAB | CAP | NAT | CAQ | 6.9° | 0.2° |
| OAB | CAP | CAL | H19 | 70.5° | 61.0° |
| OAB | CAP | CAL | H20 | 51.2° | 61.8° |
| CAP | NAT | CAN | CAK | 6.1° | 0.3° |
| CAP | NAT | CAN | CAQ | 177.6° | 179.7° |
| CAP | NAT | CAQ | CAE | 22.9° | 179.8° |
| CAP | NAT | CAQ | CAF | 158.6° | 0.5° |
| CAP | NAT | CAN | H17 | 173.9° | 179.8° |
| NAT | CAP | CAL | H19 | 114.9° | 118.6° |
| NAT | CAP | CAL | H20 | 123.4° | 118.6° |
| CAK | CAN | NAT | H17 | 180.0° | 179.9° |
| CAK | CAN | NAT | CAQ | 176.3° | 180.0° |
| CAN | CAK | CAL | H19 | 111.7° | 118.5° |
| CAN | CAK | CAL | H20 | 126.6° | 118.6° |
| CAN | NAT | CAQ | CAE | 160.0° | 0.1° |
| CAN | NAT | CAQ | CAF | 18.6° | 179.8° |
| NAT | CAN | CAK | H18 | 171.6° | 180.0° |
| NAT | CAQ | CAE | CAF | 178.5° | 179.7° |
| NAT | CAQ | CAE | CAG | 179.7° | 180.0° |
| NAT | CAQ | CAF | CAH | 179.9° | 180.0° |
| NAT | CAQ | CAF | H14 | 0.1° | 0.0° |
| NAT | CAQ | CAE | H16 | 0.3° | 0.0° |
| CAQ | NAT | CAN | H17 | 3.7° | 0.1° |
| CAA | CAS | CAM | CAI | 71.7° | 174.4° |
| CAA | CAS | CAM | NAU | 106.4° | 119.8° |
| CAA | CAS | CAM | H4 | 122.2° | 120.4° |
| CAA | CAS | NAU | H4 | 116.2° | 120.3° |
| CAA | CAS | NAU | CAO | 90.4° | 173.4° |
| CAA | CAS | NAU | SAV | 104.9° | 6.6° |
| CAS | CAA | H1 | H2 | 120.0° | 120.0° |
| CAS | CAA | H1 | H3 | 120.0° | 120.0° |
| CAS | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAS | CAM | H5 | 167.7° | 54.4° |
| CAA | CAS | CAM | H6 | 49.0° | 65.6° |
| CAM | CAI | CAJ | H7 | 120.1° | 120.0° |
| CAM | CAI | CAJ | H8 | 120.1° | 120.0° |
| CAI | CAM | CAS | H5 | 120.7° | 120.0° |
| CAI | CAM | CAS | H6 | 120.7° | 120.0° |
| CAM | CAI | CAJ | CAO | 59.3° | 61.4° |
| CAI | CAM | CAS | NAU | 34.8° | 54.7° |
| CAI | CAM | CAS | H4 | 166.2° | 65.2° |
| CAI | CAM | H5 | H6 | 117.9° | 120.1° |
| CAM | CAI | H7 | H8 | 119.7° | 119.9° |
| CAM | CAI | CAJ | H9 | 179.5° | 58.6° |
| CAM | CAI | CAJ | H10 | 60.9° | 178.7° |
| CAJ | CAI | CAM | CAS | 53.7° | 61.4° |
| CAI | CAJ | CAO | H9 | 120.2° | 119.9° |
| CAI | CAJ | CAO | H10 | 120.2° | 119.9° |
| CAI | CAJ | CAO | NAU | 46.8° | 54.7° |
| CAJ | CAI | CAM | H5 | 67.0° | 58.6° |
| CAJ | CAI | CAM | H6 | 174.4° | 178.7° |
| CAJ | CAI | H7 | H8 | 119.7° | 120.0° |
| CAI | CAJ | H9 | H10 | 119.4° | 120.1° |
| CAI | CAJ | CAO | H11 | 74.0° | 174.4° |
| CAI | CAJ | CAO | H12 | 167.6° | 65.1° |
| CAQ | CAE | CAG | H16 | 180.0° | 180.0° |
| CAE | CAQ | CAF | CAH | 1.5° | 0.3° |
| CAQ | CAE | CAG | CAR | 0.5° | 0.0° |
| CAE | CAQ | CAF | H14 | 178.5° | 179.7° |
| CAQ | CAE | CAG | H15 | 179.5° | 180.0° |
| CAF | CAQ | CAE | CAG | 1.8° | 0.3° |
| CAQ | CAF | CAH | H14 | 180.0° | 180.0° |
| CAQ | CAF | CAH | CAR | 0.1° | 0.0° |
| CAQ | CAF | CAH | H13 | 179.9° | 180.0° |
| CAF | CAQ | CAE | H16 | 178.2° | 179.7° |
| CAE | CAG | CAR | H15 | 180.0° | 180.0° |
| CAE | CAG | CAR | CAH | 1.2° | 0.3° |
| CAE | CAG | CAR | SAV | 179.9° | 180.0° |
| CAM | CAS | NAU | H4 | 130.8° | 119.9° |
| CAM | CAS | NAU | CAO | 22.6° | 53.6° |
| CAM | CAS | NAU | SAV | 142.1° | 126.4° |
| CAM | CAS | CAA | H1 | 180.0° | 171.9° |
| CAM | CAS | CAA | H2 | 60.0° | 68.2° |
| CAM | CAS | CAA | H3 | 60.0° | 51.9° |
| CAS | CAM | H5 | H6 | 117.9° | 120.0° |
| CAS | CAM | CAI | H7 | 66.4° | 178.6° |
| CAS | CAM | CAI | H8 | 173.8° | 58.7° |
| CAF | CAH | CAR | CAG | 1.4° | 0.3° |
| CAF | CAH | CAR | H13 | 180.0° | 180.0° |
| CAF | CAH | CAR | SAV | 179.6° | 180.0° |
| CAJ | CAO | NAU | CAS | 29.1° | 53.6° |
| CAJ | CAO | NAU | H11 | 120.8° | 119.8° |
| CAJ | CAO | NAU | H12 | 120.8° | 119.9° |
| CAJ | CAO | NAU | SAV | 134.9° | 126.4° |
| CAO | CAJ | CAI | H7 | 60.8° | 178.6° |
| CAO | CAJ | CAI | H8 | 179.4° | 58.6° |
| CAO | CAJ | H9 | H10 | 119.4° | 120.1° |
| CAJ | CAO | H11 | H12 | 117.5° | 120.4° |
| CAS | NAU | CAO | SAV | 164.0° | 180.0° |
| CAS | NAU | SAV | CAR | 90.3° | 81.1° |
| CAS | NAU | SAV | OAC | 157.4° | 32.4° |
| CAS | NAU | SAV | OAD | 22.0° | 165.4° |
| NAU | CAS | CAA | H1 | 60.4° | 52.6° |
| NAU | CAS | CAA | H2 | 179.6° | 172.5° |
| NAU | CAS | CAA | H3 | 59.6° | 67.4° |
| NAU | CAS | CAM | H5 | 85.9° | 65.3° |
| NAU | CAS | CAM | H6 | 155.5° | 174.6° |
| CAS | NAU | CAO | H11 | 91.7° | 173.4° |
| CAS | NAU | CAO | H12 | 149.9° | 66.2° |
| CAO | NAU | SAV | CAR | 105.0° | 98.9° |
| CAO | NAU | SAV | OAC | 7.4° | 147.6° |
| CAO | NAU | SAV | OAD | 142.8° | 14.7° |
| CAO | NAU | CAS | H4 | 153.4° | 66.3° |
| NAU | CAO | CAJ | H9 | 167.0° | 65.3° |
| NAU | CAO | CAJ | H10 | 73.5° | 174.6° |
| NAU | CAO | H11 | H12 | 117.5° | 120.3° |
| CAG | CAR | SAV | NAU | 81.5° | 83.0° |
| CAG | CAR | CAH | SAV | 178.9° | 179.7° |
| CAG | CAR | SAV | OAC | 32.6° | 163.5° |
| CAG | CAR | SAV | OAD | 160.4° | 30.5° |
| CAG | CAR | CAH | H13 | 178.6° | 179.7° |
| CAR | CAG | CAE | H16 | 179.5° | 180.0° |
| NAU | SAV | CAR | CAH | 99.5° | 97.4° |
| NAU | SAV | CAR | OAC | 114.1° | 113.5° |
| NAU | SAV | CAR | OAD | 118.0° | 113.5° |
| NAU | SAV | OAC | OAD | 133.2° | 122.9° |
| SAV | NAU | CAS | H4 | 11.3° | 113.7° |
| SAV | NAU | CAO | H11 | 104.3° | 6.6° |
| SAV | NAU | CAO | H12 | 14.1° | 113.8° |
| CAH | CAR | SAV | OAC | 146.4° | 16.2° |
| CAH | CAR | SAV | OAD | 18.5° | 149.1° |
| CAR | CAH | CAF | H14 | 179.9° | 180.0° |
| CAH | CAR | CAG | H15 | 178.8° | 179.7° |
| CAR | SAV | OAC | OAD | 120.7° | 123.0° |
| SAV | CAR | CAH | H13 | 0.3° | 0.0° |
| SAV | CAR | CAG | H15 | 0.1° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAS | H4 | 57.3° | 67.7° |
| H2 | CAA | CAS | H4 | 62.7° | 52.2° |
| H3 | CAA | CAS | H4 | 177.3° | 172.3° |
| H4 | CAS | CAM | H5 | 45.5° | 174.8° |
| H4 | CAS | CAM | H6 | 73.2° | 54.8° |
| H5 | CAM | CAI | H7 | 172.9° | 61.5° |
| H5 | CAM | CAI | H8 | 53.1° | 178.6° |
| H6 | CAM | CAI | H7 | 54.3° | 58.6° |
| H6 | CAM | CAI | H8 | 65.5° | 61.3° |
| H7 | CAI | CAJ | H9 | 59.4° | 61.4° |
| H7 | CAI | CAJ | H10 | 179.0° | 58.7° |
| H8 | CAI | CAJ | H9 | 60.4° | 178.6° |
| H8 | CAI | CAJ | H10 | 59.2° | 61.3° |
| H9 | CAJ | CAO | H11 | 46.2° | 54.5° |
| H9 | CAJ | CAO | H12 | 72.3° | 174.9° |
| H10 | CAJ | CAO | H11 | 165.8° | 65.6° |
| H10 | CAJ | CAO | H12 | 47.3° | 54.8° |
| H13 | CAH | CAF | H14 | 0.1° | 0.0° |
| H15 | CAG | CAE | H16 | 0.4° | 0.0° |
| H17 | CAN | CAK | H18 | 8.4° | 0.1° |
| H18 | CAK | CAL | H19 | 68.3° | 61.4° |
| H18 | CAK | CAL | H20 | 53.4° | 61.4° |
