0 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.3648 7.69625 17.0794 8.7083 14.6955 8.54034 13.7864 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 9.88364 13.9632 9.85784 15.6528 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 6.58998 9.38831 11.5841 9.78753 15.2234 9.87996 14.556 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 14.8647 13.0098 6.61696 8.10397 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 5.11636 8.24948 5.80953 9.57743 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 14.8647 13.0098 6.61696 13.8334 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 5.11636 8.24948 5.80953 4.47891 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.72502 8.44664 7.6844 11.2106 9.40479 16.1638 4.79736 11.2038 9.98592 15.5135 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.72502 8.44664 7.6844 5.97304 9.38831 11.9865 4.79736 11.2038 9.98592 7.56164 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.72502 9.44691 7.05541 11.2106 9.40479 8.16324 14.4081 13.5399 9.586 5.11135 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.72502 9.44691 7.05541 5.97304 9.38831 14.4545 14.4081 13.5399 9.586 17.774 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 15.4313 18.97 9.85784 15.6528 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 4.93188 6.73939 10.0715 9.48345 9.40479 11.5841 14.1829 18.1962 9.87996 14.556 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 15.4313 18.97 9.85784 26.1752 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 4.93188 6.73939 10.0715 14.4162 9.58012 18.2994 14.1829 18.1962 9.87996 25.9829 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.1157 8.03028 12.8873 6.95017 12.4442 8.93769 15.6065 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 7.23437 7.39754 8.29345 6.95017 12.4442 8.93769 8.08435 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 8.24418 8.26172 11.5185 13.4066 6.77921 6.65731 10.2834 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 10.8441 5.73236 17.8758 4.78563 13.1913 5.06564 15.2605 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 10.8441 5.73236 17.012 4.78563 13.1913 7.5373 15.2605 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 9.35703 11.1022 9.34834 5.70722 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 9.14311 10.6118 5.74846 8.34756 numMergedOcc 0
22 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 14.4375 11.1022 9.34834 5.70722 numMergedOcc 0
23 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 13.6262 10.6118 5.74846 8.34756 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 8.12143 7.23293 12.1418 14.106 10.5765 9.99396 12.2526 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 12.7155 7.55358 17.9524 10.8286 14.6369 9.99396 16.882 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 7.20574 8.73217 11.8992 11.2142 8.87818 17.7762 10.8286 14.6369 9.99396 14.9597 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 6.66155 5.52678 6.37788 10.0756 5.53324 4.19371 5.28603 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 6.66155 5.52678 6.37788 16.4082 11.4466 9.71015 10.7058 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 5.4499 9.81666 8.7028 10.0756 5.53324 4.19371 11.0713 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 6.26839 8.65535 5.92931 5.4499 9.81666 8.7028 16.4082 11.4466 9.71015 16.9177 numMergedOcc 0
31 mol 194 unq 4 iso 0 dist 8.83356 8.29382 12.361 13.0333 5.52678 17.8402 5.97754 9.996 8.64056 14.1912 numMergedOcc 0
32 mol 194 unq 5 iso 0 dist 8.83356 8.29382 12.361 18.6469 9.81666 20.7484 5.97754 9.996 8.64056 18.9365 numMergedOcc 0
33 mol 194 unq 6 iso 0 dist 8.83356 6.72379 7.50057 13.0333 5.52678 12.6186 4.66791 6.72182 9.00322 9.8803 numMergedOcc 0
34 mol 194 unq 7 iso 0 dist 8.83356 6.72379 7.50057 18.6469 9.81666 15.8032 4.66791 6.72182 9.00322 15.9964 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 11.0628 9.56257 14.3567 5.0317 9.43618 9.18728 7.3164 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 11.0628 9.56257 12.135 5.0317 9.43618 8.91971 7.3164 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.72331 9.81305 10.5789 13.089 11.0265 7.39085 16.7091 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 8.33772 6.89118 10.4925 13.089 11.0265 7.39085 13.6213 numMergedOcc 0
