0 mol 32 unq 0 iso 0 dist 7.6082 13.5196 8.89682 13.3835 5.80429 9.03144 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.24687 4.38241 8.89682 11.6167 5.80429 9.03144 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.86877 7.50273 7.99399 6.72531 5.28198 7.40694 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.33277 7.81335 9.50176 9.3664 7.11496 9.80207 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 15.962 13.3114 9.93688 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.03472 8.39416 4.85152 11.5202 13.3931 9.88184 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.40274 10.4946 4.85152 18.639 13.3114 9.93688 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 9.40274 10.4946 4.85152 14.5511 13.3931 9.88184 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 7.09617 6.9006 8.23566 8.81282 5.36117 5.33644 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.28645 9.10324 9.37708 7.84249 4.59061 6.30128 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 12.6171 5.76817 6.81489 numMergedOcc 0
11 mol 199 unq 0 iso 0 dist 9.61894 5.74514 7.29716 11.6714 4.98653 7.16849 numMergedOcc 0
12 mol 211 unq 0 iso 0 dist 9.76309 7.9703 7.15386 13.3683 5.45968 7.38723 numMergedOcc 0
13 mol 211 unq 1 iso 0 dist 6.42375 7.9703 7.73993 13.3683 9.04294 7.38723 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 8.85976 5.08998 6.41916 11.4337 4.95466 7.73701 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 7.43427 6.86057 5.98076 8.61427 6.7488 6.2441 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 7.50841 12.1138 5.98076 11.8424 6.7488 6.2441 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 10.3679 6.22182 6.61442 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 8.95575 4.35944 5.00735 11.391 5.18766 7.10283 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.21479 8.47021 4.46314 10.8409 5.10642 6.11539 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 8.21479 8.47021 4.46314 13.1673 6.19573 9.71082 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.88264 9.7941 8.11884 7.14598 4.19031 9.37687 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.03983 4.77489 9.2772 5.30455 9.69102 7.97113 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.03983 4.77489 9.2772 6.8184 4.76806 8.38479 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 4.88541 4.90213 6.35457 11.8556 9.20929 9.33447 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 4.88541 4.90213 6.35457 5.43053 4.55986 3.90274 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.8693 8.62596 5.38704 9.27493 4.77555 8.15217 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.8693 13.2785 8.05503 9.27493 4.77555 7.62562 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 7.03782 11.0932 8.26695 11.7519 6.30262 8.15217 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 7.03782 5.66978 5.59151 11.7519 6.30262 7.62562 numMergedOcc 0
30 mol 274 unq 4 iso 0 dist 9.04647 5.88732 7.24089 13.3657 8.77987 8.26851 numMergedOcc 0
