0 mol 27 unq 0 iso 0 dist 5.80623 9.1735 9.52474 10.1283 7.60283 7.50515 13.7632 13.4461 10.757 6.78936 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.24775 10.6901 9.52474 3.71754 7.60283 7.50515 9.21811 13.4461 10.757 6.78936 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.43804 13.2064 6.7117 11.1769 6.0129 8.70415 7.6935 3.92737 9.81956 4.44979 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.43804 13.2064 6.7117 11.1769 6.0129 8.70415 8.71558 3.94967 5.10496 6.61111 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 7.43804 5.65902 4.47349 11.1769 6.0129 10.0962 7.6935 3.92737 7.54889 4.44979 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 7.43804 5.65902 4.47349 11.1769 6.0129 10.0962 8.71558 3.94967 5.2571 6.61111 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 7.43804 7.85074 5.65185 11.1769 6.0129 11.2452 7.6935 3.92737 7.78931 4.44979 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 7.43804 7.85074 5.65185 11.1769 6.0129 11.2452 8.71558 3.94967 8.7497 6.61111 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 8.65596 7.5712 8.4858 5.20397 8.52082 6.49376 13.8288 13.0629 13.15 8.88492 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.93807 5.89138 9.67741 6.77802 7.80054 6.36909 5.57495 5.43662 7.20495 9.1326 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 7.93807 5.89138 9.67741 6.77802 7.80054 6.36909 9.38297 5.95858 7.02548 7.30954 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.84311 6.78651 5.41321 13.1968 7.57454 6.43754 14.6265 12.8337 9.91384 7.79951 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 6.78301 10.8238 7.41478 6.39326 5.98039 6.56344 6.16312 4.08768 11.0148 7.12731 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 7.37358 5.65983 7.23721 10.1998 9.24367 5.34838 13.9321 9.85432 10.2562 6.0283 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 7.74312 5.97664 13.0848 8.59762 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 7.74312 5.97664 7.45616 8.59762 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 7.74312 5.97664 13.0848 8.59762 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 7.74312 5.97664 7.45616 8.59762 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 7.74312 5.97664 13.0848 8.59762 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 7.74312 5.97664 7.45616 8.59762 numMergedOcc 0
