0 mol 7 unq 0 iso 0 dist 8.44333 6.70503 7.78327 14.9053 13.5229 8.41585 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.76233 6.64342 6.84216 10.4984 9.68636 4.61088 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.69224 6.44262 7.03372 9.07927 7.23535 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.69224 6.44262 7.03372 8.50987 9.92243 6.03987 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.96181 5.52874 7.4785 10.079 4.25144 6.81627 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.96181 9.02602 6.39747 10.079 4.25144 7.32874 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.61831 5.66392 7.61521 7.36475 3.69293 6.97941 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 8.57479 4.31214 9.07128 12.6459 10.8406 9.36773 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 5.43098 9.86323 6.65615 8.71603 4.47193 9.36773 numMergedOcc 0
9 mol 88 unq 2 iso 0 dist 5.43098 5.3018 5.07548 8.71603 4.47193 8.31336 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.85185 4.91291 8.85601 12.8498 17.4771 9.33898 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.85185 4.91291 8.85601 13.3075 10.2467 9.64443 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.91023 9.62604 7.92856 10.7852 8.29813 5.08437 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.91023 9.62604 7.92856 12.036 13.2057 6.48948 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.91023 9.62604 7.92856 15.5963 12.7473 6.10456 numMergedOcc 0
15 mol 101 unq 0 iso 0 dist 9.26699 5.81947 9.23765 7.42893 7.89838 6.57035 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.27028 4.83846 7.02367 9.34456 5.37655 5.86073 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.31527 8.90504 7.53694 9.41521 5.61274 6.44653 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 7.64841 8.90504 8.38358 9.41521 3.35803 6.44653 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.91039 8.99682 8.64905 11.3052 6.75249 5.99315 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.24882 12.628 8.99891 12.8356 9.14188 5.99315 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.3776 12.8882 7.59457 13.4825 4.73288 5.87555 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.3776 12.8882 7.59457 13.1115 4.70284 8.87437 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.3776 16.0649 9.00072 21.0781 12.2243 8.56324 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.3776 16.0649 9.00072 13.4825 4.73288 6.70283 numMergedOcc 0
25 mol 152 unq 4 iso 0 dist 9.3776 16.0649 9.00072 13.1115 4.70284 7.16148 numMergedOcc 0
26 mol 152 unq 5 iso 0 dist 9.3776 10.6678 7.55419 13.4825 4.73288 8.67331 numMergedOcc 0
27 mol 152 unq 6 iso 0 dist 9.3776 10.6678 7.55419 13.1115 4.70284 8.05741 numMergedOcc 0
28 mol 152 unq 7 iso 0 dist 7.71959 5.29694 7.55934 13.2594 9.73449 8.56324 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 8.88037 7.79718 5.36671 17.371 12.8624 9.87651 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 7.9475 10.9904 7.79063 11.5956 6.19721 7.69895 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 7.9475 10.4923 9.64778 11.5956 6.19721 7.21521 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.34984 5.34337 9.19385 5.27188 5.85692 7.32223 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 8.34984 5.34337 9.19385 10.4338 6.0222 8.31064 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 8.34984 11.9048 9.1927 10.4338 6.0222 6.73034 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.95095 6.30874 5.4557 11.83 4.02333 6.97229 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 7.34927 4.83355 5.69112 6.86014 7.75371 9.7748 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 7.54315 11.2857 5.69112 5.97073 7.75371 9.7748 numMergedOcc 0
38 mol 277 unq 2 iso 0 dist 7.88615 12.1011 7.2091 19.0828 11.3546 9.7748 numMergedOcc 0
