0 mol 5 unq 0 iso 0 dist 6.66949 6.72785 5.44356 4.05341 5.69239 8.39424 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.7649 14.2346 7.18124 10.5243 8.25818 7.19357 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.7649 6.7213 8.10168 10.5243 8.25818 13.7061 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.5268 11.9263 7.18124 10.2093 8.25818 7.19357 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.5268 3.83179 8.10168 10.2093 8.25818 13.7061 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 9.56722 7.08646 8.47637 10.8301 8.53424 13.6544 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 9.56722 7.08646 8.47637 10.0008 7.08766 11.0902 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 9.56722 7.08646 8.47637 7.55139 4.82199 8.59089 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 7.10496 9.85109 8.56807 6.55665 6.87277 3.30907 numMergedOcc 0
9 mol 33 unq 0 iso 0 dist 4.41045 5.63669 8.45145 3.82411 4.78873 6.33349 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 8.06894 10.9018 7.73753 11.2724 8.14512 5.98039 numMergedOcc 0
11 mol 63 unq 1 iso 0 dist 5.89846 7.97838 7.73753 6.63195 8.14512 5.98039 numMergedOcc 0
12 mol 63 unq 2 iso 0 dist 8.69452 10.0014 8.90965 7.57912 7.23828 6.2569 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 8.39335 4.48499 8.70827 11.779 9.07629 8.43906 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 8.39335 4.48499 8.70827 13.0405 8.61143 12.2898 numMergedOcc 0
15 mol 78 unq 2 iso 0 dist 8.39335 3.84261 9.86479 11.779 9.07629 14.7216 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 8.39335 3.84261 9.86479 13.0405 8.61143 16.1736 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 9.27814 7.18472 7.67463 11.9486 4.18248 7.59896 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.92653 11.2682 6.9447 8.70619 5.20429 3.80877 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 8.92653 11.2682 6.9447 3.89959 8.71366 12.771 numMergedOcc 0
20 mol 111 unq 0 iso 0 dist 6.33923 9.12385 6.34004 3.83194 4.91212 5.39108 numMergedOcc 0
21 mol 111 unq 1 iso 0 dist 6.33923 9.12385 6.34004 5.56913 9.34782 13.201 numMergedOcc 0
22 mol 111 unq 2 iso 0 dist 5.53271 6.02783 7.24101 7.42165 9.34782 12.2767 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 6.98134 8.18719 7.39112 4.26914 6.55227 4.89202 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 8.55413 13.5312 7.39112 9.53399 6.55227 4.89202 numMergedOcc 0
25 mol 120 unq 0 iso 0 dist 5.56598 7.947 9.8098 8.24077 7.84207 11.5289 numMergedOcc 0
26 mol 120 unq 1 iso 0 dist 5.56598 7.947 9.8098 3.79384 8.56947 10.6796 numMergedOcc 0
27 mol 120 unq 2 iso 0 dist 5.39792 6.36542 9.8098 5.56137 7.84207 11.5289 numMergedOcc 0
28 mol 120 unq 3 iso 0 dist 5.39792 6.36542 9.8098 6.80121 8.56947 10.6796 numMergedOcc 0
29 mol 120 unq 4 iso 0 dist 7.00542 5.1941 9.8098 7.75617 7.84207 11.5289 numMergedOcc 0
30 mol 120 unq 5 iso 0 dist 7.00542 5.1941 9.8098 10.6431 8.56947 10.6796 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 8.14978 15.8234 8.56285 9.809 4.88514 11.8161 numMergedOcc 0
32 mol 176 unq 0 iso 0 dist 8.00223 5.73429 5.58647 3.84631 6.85902 5.64063 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 4.42095 10.9163 8.93352 3.83542 5.18325 11.2435 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 4.42095 10.9163 8.93352 4.02402 4.68722 13.336 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 4.63898 6.28634 8.93352 8.31549 4.68722 13.336 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 4.63898 6.28634 8.93352 4.98625 5.18325 11.2435 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 9.53641 17.7577 8.93352 7.40457 4.68722 13.336 numMergedOcc 0
38 mol 194 unq 5 iso 0 dist 9.53641 17.7577 8.93352 8.48051 5.18325 11.2435 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 5.65735 6.77967 9.57433 6.46348 9.54529 12.4019 numMergedOcc 0
40 mol 260 unq 0 iso 0 dist 9.11501 4.21499 9.68243 9.99682 7.04263 7.79959 numMergedOcc 0
41 mol 260 unq 1 iso 0 dist 9.11501 4.21499 9.68243 7.52009 6.48099 9.44591 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 7.43884 5.7413 7.24165 11.4637 7.80711 13.7573 numMergedOcc 0
43 mol 266 unq 1 iso 0 dist 7.43884 5.7413 7.24165 12.3524 9.9965 10.0357 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 9.82274 14.2357 9.90494 4.3196 7.31132 12.6476 numMergedOcc 0
45 mol 283 unq 1 iso 0 dist 9.82274 7.50757 5.90121 4.3196 7.31132 3.31521 numMergedOcc 0
46 mol 283 unq 2 iso 0 dist 7.17276 8.40497 9.90494 6.30031 7.31132 12.6476 numMergedOcc 0
47 mol 283 unq 3 iso 0 dist 7.17276 8.03948 5.90121 6.30031 7.31132 3.31521 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 5.2862 3.77325 8.82497 5.88619 5.6964 8.65336 numMergedOcc 0
49 mol 284 unq 1 iso 0 dist 5.31097 6.03076 8.82497 4.57529 5.6964 8.65336 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 numMergedOcc 0
51 mol 288 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 numMergedOcc 0
