0 mol 26 unq 0 iso 0 dist 7.89222 3.99573 6.46104 14.0527 7.3022 11.0099 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.89222 11.4986 7.36856 14.0527 7.3022 4.74747 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 5.80623 9.1735 9.52474 10.1283 7.60283 7.50515 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.24775 10.6901 9.52474 3.71754 7.60283 7.50515 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.0478 6.43082 6.14538 5.59128 6.30987 5.06052 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.52378 9.16445 7.16773 6.48665 5.84875 6.28202 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 5.39827 11.1921 9.25641 6.35361 7.46994 5.94559 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.43804 13.2064 6.7117 11.1769 6.0129 8.70415 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.43804 5.65902 4.47349 11.1769 6.0129 10.0962 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.43804 7.85074 5.65185 11.1769 6.0129 11.2452 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.96946 12.8587 9.72053 6.91022 6.90634 6.01663 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 9.96946 14.7321 7.7949 6.91022 6.90634 12.8559 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.80081 7.59723 8.10291 9.31967 4.25566 10.5489 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 5.80081 7.59723 8.10291 10.5556 6.63171 6.71391 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 5.80081 7.59723 8.10291 10.0306 7.67273 6.6258 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 6.97467 15.2799 9.00416 9.32932 6.05323 8.31653 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.65596 7.5712 8.4858 6.56544 5.9032 4.57561 numMergedOcc 0
17 mol 159 unq 1 iso 0 dist 8.65596 7.5712 8.4858 5.20397 8.52082 6.49376 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 7.93807 5.89138 9.67741 6.77802 7.80054 6.36909 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 6.1338 6.33907 8.10214 7.47532 9.33696 12.0548 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.84311 6.78651 5.41321 13.1968 7.57454 6.43754 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 6.78301 10.8238 7.41478 6.39326 5.98039 6.56344 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.37358 5.65983 7.23721 10.1998 9.24367 5.34838 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.52718 12.9284 8.91712 9.81184 5.59555 4.62998 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 9.52718 6.56751 9.65934 9.81184 5.59555 7.23534 numMergedOcc 0
