0 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 13.5984 12.2271 8.70827 14.1706 10.1923 6.6219 4.04519 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.6586 13.2653 8.23075 13.5984 12.2271 8.70827 16.6394 9.24731 5.68215 13.7009 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.6586 13.2653 8.23075 18.4559 12.2839 6.73939 14.1706 10.1923 6.6219 12.5545 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.6586 13.2653 8.23075 18.4559 12.2839 6.73939 16.6394 9.24731 5.68215 4.08755 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.8003 13.5973 7.54568 12.7919 11.1225 7.7068 4.93735 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.23055 4.56886 4.17838 9.7872 3.77771 5.37007 10.9102 7.35325 7.13008 6.26082 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.30746 5.1219 4.17838 10.2815 3.77771 5.37007 9.54368 7.35325 7.13008 6.26082 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 9.09263 5.40648 8.8822 6.12348 3.52445 8.80934 7.1951 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 5.37302 3.52111 9.66219 6.12348 3.52445 8.80934 3.84573 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 11.7617 11.3935 9.23819 9.011 3.17342 6.00603 9.83972 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 6.80798 4.42285 4.42563 11.999 8.90201 8.88537 9.011 3.17342 6.00603 6.29388 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.00063 12.1014 8.92592 8.90876 5.71136 7.44629 7.30338 3.5168 6.02086 4.02702 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.17301 8.58814 9.70481 10.9891 13.4378 6.22122 15.3528 18.0236 8.59874 6.39406 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.10344 4.41193 8.22001 8.95598 5.69882 6.42735 10.1839 3.88698 8.97589 3.7949 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 9.10344 4.41193 8.22001 8.95598 5.69882 6.42735 8.27396 3.30691 5.96423 4.67256 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 7.23557 9.43113 4.8668 6.41148 6.49396 6.49765 9.86388 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 8.86587 9.43113 4.8668 5.06713 6.49396 6.49765 9.86388 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 14.0634 15.5804 7.37798 15.5348 14.4808 8.21793 8.75651 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 7.49754 7.78293 8.82761 11.6475 6.78109 7.73322 15.5348 14.4808 8.21793 8.99471 numMergedOcc 0
19 mol 213 unq 2 iso 0 dist 7.49754 4.67262 4.66576 11.6475 6.78109 8.14332 12.3532 5.45331 8.22569 6.60887 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 10.251 3.66473 7.45616 5.97664 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 10.251 3.66473 7.45616 5.97664 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 7.76945 5.39801 9.65934 10.251 3.66473 7.45616 5.97664 numMergedOcc 0
