0 mol 7 unq 0 iso 0 dist 9.02869 15.4291 9.28571 14.326 8.05125 15.7038 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.02869 14.326 8.05125 15.4291 9.28571 15.7038 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 9.11704 5.88082 9.20106 7.10396 7.76514 8.67997 numMergedOcc 0
3 mol 13 unq 0 iso 1 dist 9.11704 7.10396 7.76514 5.88082 9.20106 8.67997 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.43409 5.81148 8.0757 10.7288 9.8958 8.97054 numMergedOcc 0
5 mol 56 unq 0 iso 1 dist 7.43409 10.7288 9.8958 5.81148 8.0757 8.97054 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.04549 5.85694 7.97386 9.84981 8.3814 6.20749 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 9.04549 9.84981 8.3814 5.85694 7.97386 6.20749 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 7.11706 5.50809 7.97386 6.58099 8.3814 6.20749 numMergedOcc 0
9 mol 61 unq 1 iso 1 dist 7.11706 6.58099 8.3814 5.50809 7.97386 6.20749 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 13.3239 7.76644 5.8441 numMergedOcc 0
11 mol 64 unq 0 iso 1 dist 8.52643 13.3239 7.76644 7.59945 5.45684 5.8441 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 5.41357 5.65551 5.45684 9.81422 7.76644 5.8441 numMergedOcc 0
13 mol 64 unq 1 iso 1 dist 5.41357 9.81422 7.76644 5.65551 5.45684 5.8441 numMergedOcc 0
14 mol 64 unq 2 iso 0 dist 9.75299 7.59945 7.66372 13.3239 9.99743 5.8441 numMergedOcc 0
15 mol 64 unq 2 iso 1 dist 9.75299 13.3239 9.99743 7.59945 7.66372 5.8441 numMergedOcc 0
16 mol 64 unq 3 iso 0 dist 9.30042 5.65551 7.66372 9.81422 9.99743 5.8441 numMergedOcc 0
17 mol 64 unq 3 iso 1 dist 9.30042 9.81422 9.99743 5.65551 7.66372 5.8441 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 14.1204 7.32265 12.3241 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 7.45777 14.1204 7.32265 10.345 6.85356 12.3241 numMergedOcc 0
20 mol 99 unq 0 iso 0 dist 8.68674 8.61334 4.82346 12.2155 8.07233 4.8794 numMergedOcc 0
21 mol 99 unq 0 iso 1 dist 8.68674 12.2155 8.07233 8.61334 4.82346 4.8794 numMergedOcc 0
22 mol 104 unq 0 iso 0 dist 5.71279 5.78815 7.32917 10.2942 8.84844 5.26833 numMergedOcc 0
23 mol 104 unq 0 iso 1 dist 5.71279 10.2942 8.84844 5.78815 7.32917 5.26833 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.88178 15.6097 8.15734 5.57607 6.00896 10.0801 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 9.88178 5.57607 6.00896 15.6097 8.15734 10.0801 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 7.46189 9.43135 6.25764 numMergedOcc 0
27 mol 162 unq 0 iso 1 dist 6.59407 7.46189 9.43135 8.59214 7.08934 6.25764 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 7.86936 7.41663 4.4482 numMergedOcc 0
29 mol 205 unq 0 iso 1 dist 5.86839 7.86936 7.41663 6.38518 6.02053 4.4482 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 8.05949 11.5037 8.50367 15.7959 8.94889 8.21472 numMergedOcc 0
31 mol 210 unq 0 iso 1 dist 8.05949 15.7959 8.94889 11.5037 8.50367 8.21472 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 8.6368 7.36665 9.984 8.17619 8.08702 10.3111 numMergedOcc 0
33 mol 220 unq 0 iso 1 dist 8.6368 8.17619 8.08702 7.36665 9.984 10.3111 numMergedOcc 0
34 mol 223 unq 0 iso 0 dist 8.87456 4.68566 7.76053 11.1044 9.65728 7.55127 numMergedOcc 0
35 mol 223 unq 0 iso 1 dist 8.87456 11.1044 9.65728 4.68566 7.76053 7.55127 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 9.01071 13.3781 7.449 14.2324 8.98789 5.02232 numMergedOcc 0
37 mol 239 unq 0 iso 1 dist 9.01071 14.2324 8.98789 13.3781 7.449 5.02232 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 6.0437 6.8395 9.38192 6.29331 6.99444 10.4134 numMergedOcc 0
39 mol 261 unq 0 iso 1 dist 6.0437 6.29331 6.99444 6.8395 9.38192 10.4134 numMergedOcc 0
40 mol 261 unq 1 iso 0 dist 4.85199 5.03102 9.38192 6.40309 6.99444 10.4134 numMergedOcc 0
41 mol 261 unq 1 iso 1 dist 4.85199 6.40309 6.99444 5.03102 9.38192 10.4134 numMergedOcc 0
42 mol 261 unq 2 iso 0 dist 9.13604 9.37836 9.38192 5.91745 6.99444 10.4134 numMergedOcc 0
43 mol 261 unq 2 iso 1 dist 9.13604 5.91745 6.99444 9.37836 9.38192 10.4134 numMergedOcc 0
44 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 7.05181 7.346 6.91672 numMergedOcc 0
45 mol 273 unq 0 iso 1 dist 5.78262 7.05181 7.346 7.01631 7.84151 6.91672 numMergedOcc 0
46 mol 281 unq 0 iso 0 dist 4.75349 5.50235 6.47753 9.84433 9.69744 4.37277 numMergedOcc 0
47 mol 281 unq 0 iso 1 dist 4.75349 9.84433 9.69744 5.50235 6.47753 4.37277 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 numMergedOcc 0
49 mol 287 unq 0 iso 1 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 numMergedOcc 0
50 mol 287 unq 1 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 numMergedOcc 0
51 mol 287 unq 1 iso 1 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 numMergedOcc 0
53 mol 288 unq 0 iso 1 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 numMergedOcc 0
54 mol 288 unq 1 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 numMergedOcc 0
55 mol 288 unq 1 iso 1 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 numMergedOcc 0
