SU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAJ | sing | 1.51Å | 1.50Å | |
| OAM | CAJ | doub | 1.21Å | 1.22Å | |
| CAJ | OXT | sing | 1.34Å | 1.31Å | |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAQ | CAK | sing | 1.53Å | 1.56Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAN | CAL | sing | 1.51Å | 1.51Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| OAP | CAN | doub | 1.21Å | 1.24Å | |
| CAN | OAO | sing | 1.34Å | 1.24Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| CAQ | CAR | sing | 1.53Å | 1.55Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAS | CAR | sing | 1.53Å | 1.54Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAT | CAS | sing | 1.53Å | 1.55Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAT | HATB | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAJ | OAM | 122.1° | 120.0° |
| CAK | CAJ | OXT | 111.8° | 120.0° |
| CAJ | CAK | CAL | 103.0° | 109.4° |
| CAJ | CAK | CAQ | 112.8° | 109.5° |
| CAJ | CAK | HAK | 107.4° | 109.5° |
| OAM | CAJ | OXT | 126.1° | 120.0° |
| CAJ | OXT | HOXT | 109.5° | 117.0° |
| CAL | CAK | CAQ | 119.5° | 109.5° |
| CAL | CAK | HAK | 106.9° | 109.5° |
| CAK | CAL | CAN | 107.3° | 109.5° |
| CAK | CAL | HAL | 110.0° | 109.5° |
| CAK | CAL | HALA | 110.0° | 109.4° |
| CAQ | CAK | HAK | 106.7° | 109.5° |
| CAK | CAQ | CAR | 114.9° | 109.5° |
| CAK | CAQ | HAQ | 108.1° | 109.5° |
| CAK | CAQ | HAQA | 108.1° | 109.5° |
| CAN | CAL | HAL | 110.0° | 109.5° |
| CAN | CAL | HALA | 110.0° | 109.5° |
| CAL | CAN | OAP | 115.9° | 120.0° |
| CAL | CAN | OAO | 117.6° | 120.0° |
| HAL | CAL | HALA | 109.4° | 109.4° |
| OAP | CAN | OAO | 126.5° | 120.0° |
| CAN | OAO | HOAO | 109.5° | 117.0° |
| CAR | CAQ | HAQ | 108.1° | 109.4° |
| CAR | CAQ | HAQA | 108.1° | 109.5° |
| CAQ | CAR | CAS | 106.9° | 109.5° |
| CAQ | CAR | HAR | 110.1° | 109.5° |
| CAQ | CAR | HARA | 110.1° | 109.4° |
| HAQ | CAQ | HAQA | 109.5° | 109.4° |
| CAS | CAR | HAR | 110.1° | 109.4° |
| CAS | CAR | HARA | 110.1° | 109.5° |
| CAR | CAS | CAT | 108.7° | 109.5° |
| CAR | CAS | HAS | 109.7° | 109.5° |
| CAR | CAS | HASA | 109.7° | 109.5° |
| HAR | CAR | HARA | 109.4° | 109.5° |
| CAT | CAS | HAS | 109.6° | 109.5° |
| CAT | CAS | HASA | 109.7° | 109.5° |
| CAS | CAT | HAT | 109.5° | 109.5° |
| CAS | CAT | HATA | 109.5° | 109.5° |
| CAS | CAT | HATB | 109.5° | 109.5° |
| HAS | CAS | HASA | 109.5° | 109.5° |
| HAT | CAT | HATA | 109.5° | 109.5° |
| HAT | CAT | HATB | 109.5° | 109.4° |
| HATA | CAT | HATB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAJ | OAM | OXT | 177.9° | 179.8° |
| CAJ | CAK | CAL | CAQ | 125.9° | 120.0° |
| CAJ | CAK | CAL | HAK | 113.0° | 120.0° |
| CAJ | CAK | CAQ | HAK | 117.7° | 120.0° |
| CAJ | CAK | CAL | CAN | 161.6° | 65.0° |
| CAJ | CAK | CAL | HAL | 78.7° | 55.1° |
| CAJ | CAK | CAL | HALA | 41.9° | 175.0° |
| CAJ | CAK | CAQ | CAR | 2.6° | 65.0° |
| CAJ | CAK | CAQ | HAQ | 118.2° | 175.0° |
| CAJ | CAK | CAQ | HAQA | 123.4° | 55.0° |
| CAK | CAJ | OXT | HOXT | 178.1° | 180.0° |
| OAM | CAJ | CAK | CAL | 53.3° | 0.3° |
| OAM | CAJ | CAK | CAQ | 76.8° | 120.2° |
| OAM | CAJ | CAK | HAK | 165.9° | 119.7° |
| OAM | CAJ | OXT | HOXT | 0.0° | 0.3° |
| OXT | CAJ | CAK | CAL | 124.9° | 180.0° |
| OXT | CAJ | CAK | CAQ | 105.0° | 60.0° |
| OXT | CAJ | CAK | HAK | 12.3° | 60.0° |
| CAL | CAK | CAQ | HAK | 121.2° | 120.0° |
| CAK | CAL | CAN | HAL | 119.7° | 120.1° |
| CAK | CAL | CAN | HALA | 119.7° | 120.0° |
| CAK | CAL | HAL | HALA | 121.0° | 119.9° |
| CAK | CAL | CAN | OAP | 96.3° | 0.0° |
| CAK | CAL | CAN | OAO | 83.4° | 179.9° |
| CAL | CAK | CAQ | CAR | 118.5° | 175.0° |
| CAL | CAK | CAQ | HAQ | 120.7° | 55.1° |
| CAL | CAK | CAQ | HAQA | 2.3° | 65.0° |
| CAQ | CAK | CAL | CAN | 35.7° | 175.0° |
| CAQ | CAK | CAL | HAL | 155.4° | 64.9° |
| CAQ | CAK | CAL | HALA | 84.0° | 55.0° |
| CAK | CAQ | CAR | HAQ | 120.8° | 120.0° |
| CAK | CAQ | CAR | HAQA | 120.8° | 120.0° |
| CAK | CAQ | HAQ | HAQA | 117.5° | 120.1° |
| CAK | CAQ | CAR | CAS | 89.3° | 180.0° |
| CAK | CAQ | CAR | HAR | 30.3° | 60.0° |
| CAK | CAQ | CAR | HARA | 151.0° | 60.0° |
| HAK | CAK | CAL | CAN | 85.4° | 55.0° |
| HAK | CAK | CAL | HAL | 34.3° | 175.0° |
| HAK | CAK | CAL | HALA | 154.9° | 65.0° |
| HAK | CAK | CAQ | CAR | 120.3° | 55.0° |
| HAK | CAK | CAQ | HAQ | 0.5° | 64.9° |
| HAK | CAK | CAQ | HAQA | 119.0° | 175.0° |
| CAN | CAL | HAL | HALA | 121.0° | 120.0° |
| CAL | CAN | OAP | OAO | 179.7° | 179.9° |
| CAL | CAN | OAO | HOAO | 179.7° | 179.9° |
| HAL | CAL | CAN | OAP | 144.0° | 120.1° |
| HAL | CAL | CAN | OAO | 36.3° | 60.0° |
| HALA | CAL | CAN | OAP | 23.3° | 120.0° |
| HALA | CAL | CAN | OAO | 156.9° | 59.9° |
| OAP | CAN | OAO | HOAO | 0.0° | 0.1° |
| CAR | CAQ | HAQ | HAQA | 117.5° | 120.0° |
| CAQ | CAR | CAS | HAR | 119.6° | 120.0° |
| CAQ | CAR | CAS | HARA | 119.6° | 120.0° |
| CAQ | CAR | HAR | HARA | 121.2° | 120.0° |
| CAQ | CAR | CAS | CAT | 89.4° | 180.0° |
| CAQ | CAR | CAS | HAS | 30.5° | 60.0° |
| CAQ | CAR | CAS | HASA | 150.7° | 60.0° |
| HAQ | CAQ | CAR | CAS | 149.9° | 60.0° |
| HAQ | CAQ | CAR | HAR | 90.5° | 180.0° |
| HAQ | CAQ | CAR | HARA | 30.2° | 60.0° |
| HAQA | CAQ | CAR | CAS | 31.5° | 60.0° |
| HAQA | CAQ | CAR | HAR | 151.1° | 60.0° |
| HAQA | CAQ | CAR | HARA | 88.2° | 179.9° |
| CAS | CAR | HAR | HARA | 121.2° | 120.0° |
| CAR | CAS | CAT | HAS | 119.9° | 120.0° |
| CAR | CAS | CAT | HASA | 119.9° | 120.0° |
| CAR | CAS | HAS | HASA | 120.4° | 120.0° |
| CAR | CAS | CAT | HAT | 180.0° | 60.0° |
| CAR | CAS | CAT | HATA | 60.0° | 60.0° |
| CAR | CAS | CAT | HATB | 60.0° | 180.0° |
| HAR | CAR | CAS | CAT | 151.0° | 60.0° |
| HAR | CAR | CAS | HAS | 89.2° | 180.0° |
| HAR | CAR | CAS | HASA | 31.1° | 60.0° |
| HARA | CAR | CAS | CAT | 30.2° | 60.0° |
| HARA | CAR | CAS | HAS | 150.1° | 60.0° |
| HARA | CAR | CAS | HASA | 89.7° | 180.0° |
| CAT | CAS | HAS | HASA | 120.3° | 120.0° |
| CAS | CAT | HAT | HATA | 120.0° | 120.1° |
| CAS | CAT | HAT | HATB | 120.0° | 120.0° |
| CAS | CAT | HATA | HATB | 120.0° | 120.1° |
| HAS | CAS | CAT | HAT | 60.1° | 180.0° |
| HAS | CAS | CAT | HATA | 179.9° | 60.0° |
| HAS | CAS | CAT | HATB | 59.9° | 60.0° |
| HASA | CAS | CAT | HAT | 60.1° | 60.0° |
| HASA | CAS | CAT | HATA | 59.9° | 180.0° |
| HASA | CAS | CAT | HATB | 179.9° | 59.9° |
| HAT | CAT | HATA | HATB | 120.0° | 119.9° |
