|
IDN
|
Description
|
| 11 |
atom 1 label |
| 12-14 |
atom 1 fractional coords x,y,z |
| 15 |
atom 1 symop number (as in STARTX) |
| 16 |
atom 1 packed cell translations for origin
at 555 |
| 21 |
atom 2 label |
| 22-24 |
atom 2 fractional coords x,y,z |
| 25 |
atom 2 symop number |
| 26 |
atom 2 packed cell translations for origin
at 555 |
| 91 |
distance in Angstroms (calculated) |
| 92 |
e.s.d. of distance (calculated) |
| 93 |
distance in Angstroms (observed) |
| 94 |
e.s.d. of distance (observed) |
| 95 |
weight of restraint |
| |
|
| 101-112 |
atom 1 symmetry elements
 |
| |
|
| 201-212 |
atom 2 symmetry elements |
