0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 9.87885 7.92429 5.35168 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.31201 8.70159 8.50789 6.1206 4.40641 5.35168 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.31201 8.70159 8.50789 7.67927 5.03278 10.1219 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 8.70159 7.58143 6.1206 7.92429 5.35168 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.36807 8.70159 7.58143 7.67927 11.2233 10.1219 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 6.08338 9.35137 8.37543 5.93898 4.28381 4.32991 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 6.08338 7.81429 7.51251 5.93898 4.28381 9.28636 numMergedOcc 0
7 mol 21 unq 2 iso 0 dist 6.08338 9.39415 5.4965 5.93898 4.28381 8.91628 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.77912 8.96978 6.33215 7.12321 9.88768 6.82436 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 9.73086 6.15714 10.4668 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 4.65521 9.79143 13.2106 8.68662 6.10063 12.8099 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 4.65521 9.79143 13.2106 7.4369 6.15714 10.4668 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 8.96501 9.14563 10.2091 7.93281 5.38404 7.64117 numMergedOcc 0
13 mol 74 unq 1 iso 0 dist 8.96501 6.33741 8.68626 7.93281 5.38404 4.40012 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 7.79359 6.81209 7.20037 7.90423 9.49725 11.0058 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.10189 9.30559 4.24369 7.51139 8.40245 9.68157 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 8.66514 6.066 7.39092 7.80898 7.15936 6.29943 numMergedOcc 0
17 mol 88 unq 2 iso 0 dist 9.25235 6.066 8.30564 7.80898 10.8763 6.29943 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.62561 8.2236 6.37061 6.10127 6.95589 3.96477 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 6.03703 7.19937 6.73645 6.89918 6.545 3.92897 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.94837 8.65986 12.3237 9.00918 5.58312 15.3248 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.94837 8.65986 12.3237 7.99477 9.61537 15.8799 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.98142 8.47008 5.3049 6.64173 4.48306 7.11838 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.98142 8.47008 5.3049 9.01624 12.2513 8.25265 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.98142 8.47008 5.3049 9.55105 10.2172 5.42919 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 7.37327 8.47008 10.8044 6.64173 4.88823 7.11838 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 7.37327 8.47008 10.8044 9.01624 14.8923 8.25265 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 7.37327 8.47008 10.8044 9.55105 14.2334 5.42919 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.19704 6.52987 11.6274 6.52816 13.4094 11.2311 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 6.0965 8.29133 10.4683 8.21793 4.31175 9.56732 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 9.59129 8.29133 8.3461 8.21793 4.89372 9.56732 numMergedOcc 0
31 mol 219 unq 0 iso 0 dist 4.87541 5.40597 7.57664 4.33238 3.78261 4.27314 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 8.1945 3.92979 5.95485 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.5707 6.35438 10.0213 7.81215 11.8229 4.76962 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 7.85175 6.35438 6.81789 7.81215 10.5304 4.76962 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 9.39181 9.07916 4.86801 5.64285 6.45373 5.43679 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 9.39181 9.57132 5.16504 5.64285 6.45373 4.76962 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 6.98084 7.48753 6.12136 8.19317 4.47008 5.67913 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 6.98084 7.48753 6.12136 6.29377 7.34601 4.80217 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 7.48005 7.64122 5.15985 9.63573 9.98303 5.82108 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.48005 7.64122 5.15985 7.66153 14.0829 11.464 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 6.50589 8.11169 13.4431 9.30212 15.0646 10.5817 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 6.50589 8.11169 13.4431 6.4611 5.70568 14.0768 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 6.50589 8.73167 8.2178 9.30212 15.0646 11.8445 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 6.50589 8.73167 8.2178 6.4611 5.70568 10.2248 numMergedOcc 0
45 mol 284 unq 0 iso 0 dist 4.86729 8.06073 6.36552 5.83329 7.67245 5.22292 numMergedOcc 0
