0 mol 7 unq 0 iso 0 dist 9.84857 7.62195 8.41173 5.75115 9.76779 4.30113 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.42142 5.06934 7.66311 5.2767 7.54797 7.67076 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.06225 8.04327 7.02854 17.6911 9.45905 12.6371 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.71103 6.05149 7.41952 7.96805 7.62846 10.2713 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.28585 4.59148 6.6146 6.91704 9.46251 6.63999 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 9.11693 7.52802 13.0187 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 5.52402 4.2179 9.32474 5.29491 8.1971 5.94602 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 5.52402 4.2179 9.32474 9.40297 7.84262 11.0405 numMergedOcc 0
8 mol 108 unq 3 iso 0 dist 7.57593 4.2179 8.80334 9.40297 9.29208 11.0405 numMergedOcc 0
9 mol 108 unq 4 iso 0 dist 6.79804 10.5919 9.32474 6.94601 7.52802 13.0187 numMergedOcc 0
10 mol 108 unq 5 iso 0 dist 6.79804 10.5919 9.32474 5.49549 8.1971 5.94602 numMergedOcc 0
11 mol 108 unq 6 iso 0 dist 6.79804 10.5919 9.32474 5.53105 7.84262 11.0405 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.66832 9.79203 8.59182 14.084 9.0224 7.92198 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.11083 5.26073 8.59182 12.1102 9.0224 7.92198 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 11.5618 8.60913 11.7194 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 6.85651 14.0828 7.50126 11.5618 8.60913 11.2716 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 7.03858 6.45333 9.07294 5.74462 8.60913 11.7194 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 7.03858 11.5586 7.50126 5.74462 8.60913 11.2716 numMergedOcc 0
18 mol 136 unq 0 iso 0 dist 9.87222 10.7093 9.33635 8.43256 8.82556 5.01943 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.32669 3.56357 8.56593 5.05068 7.83578 6.50283 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.22427 14.778 9.71692 5.13979 6.58752 11.2206 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.32504 14.922 9.73708 5.23046 6.62442 11.1844 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 7.38821 4.0252 7.69421 5.24909 9.59741 6.26917 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 9.92635 13.34 6.21267 13.9974 8.74697 3.97176 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 9.92635 13.9426 7.41743 13.9974 8.74697 11.2781 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 7.85507 9.98606 6.21267 10.3061 8.74697 3.97176 numMergedOcc 0
26 mol 183 unq 4 iso 0 dist 7.85507 11.9935 7.41743 10.3061 8.74697 11.2781 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.12583 10.2313 9.94142 4.96523 8.51847 12.085 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 11.4822 9.79058 4.19782 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 8.56656 4.13623 7.75205 11.4822 9.79058 9.91623 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 9.32657 6.78359 9.89311 12.5507 9.69941 17.2287 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 6.21409 6.78359 7.71155 3.88413 6.88402 5.98421 numMergedOcc 0
32 mol 212 unq 0 iso 0 dist 7.73701 7.5418 9.26387 7.59302 9.12948 7.14115 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 6.2441 7.15853 4.61671 6.63238 8.73468 5.88377 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 6.2441 5.7173 8.44004 6.63238 8.73468 7.38609 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 9.67509 9.05655 10.6145 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 7.03809 9.0218 9.58767 4.52473 5.80702 5.05272 numMergedOcc 0
37 mol 257 unq 0 iso 0 dist 9.02271 6.69682 8.98346 11.2757 6.75578 9.89359 numMergedOcc 0
38 mol 257 unq 1 iso 0 dist 9.02271 6.69682 8.98346 8.87721 9.29499 6.82943 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 5.30516 6.13752 9.58306 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 5.30516 6.13752 9.68247 numMergedOcc 0
41 mol 266 unq 0 iso 0 dist 9.33447 7.61055 5.28417 7.43132 8.14167 4.62446 numMergedOcc 0
42 mol 266 unq 1 iso 0 dist 3.90274 5.01049 5.28417 8.18304 8.14167 4.62446 numMergedOcc 0
43 mol 278 unq 0 iso 0 dist 6.83278 8.84423 8.87405 4.47399 5.12827 4.98313 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 8.82869 4.75799 5.76337 5.66039 8.49287 5.78097 numMergedOcc 0
45 mol 294 unq 1 iso 0 dist 8.82869 11.9879 8.60441 5.66039 8.49287 7.10587 numMergedOcc 0
