0 mol 1 unq 0 iso 0 dist 5.65716 11.1504 7.73435 7.10269 5.71995 6.07818 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.65716 7.10269 5.71995 11.1504 7.73435 6.07818 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.70141 12.8473 9.40479 4.36056 9.58012 13.4961 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.70141 4.36056 9.58012 12.8473 9.40479 13.4961 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.00593 8.01073 9.72965 8.57321 5.63315 12.4034 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 9.00593 8.57321 5.63315 8.01073 9.72965 12.4034 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 9.00593 8.01073 9.72965 11.0203 9.8465 10.0322 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 9.00593 11.0203 9.8465 8.01073 9.72965 10.0322 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.00593 8.57321 5.63315 11.0203 9.8465 8.71076 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 9.00593 11.0203 9.8465 8.57321 5.63315 8.71076 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 7.86269 7.25581 7.51138 11.1561 9.86843 8.04554 numMergedOcc 0
11 mol 90 unq 0 iso 1 dist 7.86269 11.1561 9.86843 7.25581 7.51138 8.04554 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 7.86269 7.25581 7.51138 11.7919 6.86146 8.25639 numMergedOcc 0
13 mol 90 unq 1 iso 1 dist 7.86269 11.7919 6.86146 7.25581 7.51138 8.25639 numMergedOcc 0
14 mol 90 unq 2 iso 0 dist 7.86269 7.25581 7.51138 9.89859 8.83296 12.234 numMergedOcc 0
15 mol 90 unq 2 iso 1 dist 7.86269 9.89859 8.83296 7.25581 7.51138 12.234 numMergedOcc 0
16 mol 90 unq 1 iso 0 dist 7.86269 11.1561 9.86843 11.7919 6.86146 5.13197 numMergedOcc 0
17 mol 90 unq 1 iso 1 dist 7.86269 11.7919 6.86146 11.1561 9.86843 5.13197 numMergedOcc 0
18 mol 90 unq 2 iso 0 dist 7.86269 11.1561 9.86843 9.89859 8.83296 8.66327 numMergedOcc 0
19 mol 90 unq 2 iso 1 dist 7.86269 9.89859 8.83296 11.1561 9.86843 8.66327 numMergedOcc 0
20 mol 90 unq 2 iso 0 dist 7.86269 11.7919 6.86146 9.89859 8.83296 8.87987 numMergedOcc 0
21 mol 90 unq 2 iso 1 dist 7.86269 9.89859 8.83296 11.7919 6.86146 8.87987 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.42713 8.02579 5.51624 12.3147 7.8674 12.9364 numMergedOcc 0
23 mol 93 unq 0 iso 1 dist 8.42713 12.3147 7.8674 8.02579 5.51624 12.9364 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 8.21032 12.1011 5.51624 9.97789 7.8674 12.9364 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 8.21032 9.97789 7.8674 12.1011 5.51624 12.9364 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 7.49224 8.81106 5.46988 11.6623 9.92553 7.03378 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 7.49224 11.6623 9.92553 8.81106 5.46988 7.03378 numMergedOcc 0
28 mol 140 unq 0 iso 0 dist 7.85653 10.1665 6.98813 5.62223 5.39314 10.1342 numMergedOcc 0
29 mol 140 unq 0 iso 1 dist 7.85653 5.62223 5.39314 10.1665 6.98813 10.1342 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 9.08628 14.8387 7.32419 11.9554 8.31961 5.84099 numMergedOcc 0
31 mol 175 unq 0 iso 1 dist 9.08628 11.9554 8.31961 14.8387 7.32419 5.84099 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.35581 13.6171 7.32419 13.6238 8.31961 5.84099 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 8.35581 13.6238 8.31961 13.6171 7.32419 5.84099 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 6.72569 10.2269 7.32419 10.4606 8.31961 5.84099 numMergedOcc 0
35 mol 175 unq 2 iso 1 dist 6.72569 10.4606 8.31961 10.2269 7.32419 5.84099 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 7.47107 11.4288 5.52678 15.4624 9.81666 7.62717 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 7.47107 15.4624 9.81666 11.4288 5.52678 7.62717 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 5.72444 5.77167 8.93185 7.54799 8.22792 6.52821 numMergedOcc 0
39 mol 218 unq 0 iso 1 dist 5.72444 7.54799 8.22792 5.77167 8.93185 6.52821 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 9.77502 14.9983 9.81305 9.81171 6.89118 7.10598 numMergedOcc 0
41 mol 235 unq 0 iso 1 dist 9.77502 9.81171 6.89118 14.9983 9.81305 7.10598 numMergedOcc 0
42 mol 237 unq 0 iso 0 dist 9.74081 12.7987 9.84466 5.78318 6.16557 7.27576 numMergedOcc 0
43 mol 237 unq 0 iso 1 dist 9.74081 5.78318 6.16557 12.7987 9.84466 7.27576 numMergedOcc 0
44 mol 237 unq 1 iso 0 dist 9.74081 12.7987 9.84466 10.217 5.4813 9.95884 numMergedOcc 0
45 mol 237 unq 1 iso 1 dist 9.74081 10.217 5.4813 12.7987 9.84466 9.95884 numMergedOcc 0
46 mol 237 unq 1 iso 0 dist 9.74081 5.78318 6.16557 10.217 5.4813 7.02925 numMergedOcc 0
47 mol 237 unq 1 iso 1 dist 9.74081 10.217 5.4813 5.78318 6.16557 7.02925 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 9.80232 8.55836 7.31113 6.08522 9.84466 4.98662 numMergedOcc 0
49 mol 237 unq 2 iso 1 dist 9.80232 6.08522 9.84466 8.55836 7.31113 4.98662 numMergedOcc 0
50 mol 237 unq 3 iso 0 dist 6.18606 8.55836 8.10263 6.08522 6.16557 4.98662 numMergedOcc 0
51 mol 237 unq 3 iso 1 dist 6.18606 6.08522 6.16557 8.55836 8.10263 4.98662 numMergedOcc 0
