0 mol 28 unq 0 iso 0 dist 9.32784 6.71823 9.86409 10.9344 5.75809 7.57437 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.10681 13.9294 8.71284 8.3237 9.36493 7.83556 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.10681 13.9294 8.71284 11.3659 9.0665 6.59793 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.10681 13.9294 8.71284 15.0854 7.07773 9.10687 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 9.57176 10.4791 9.16388 11.721 7.00857 3.58776 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 7.95922 11.5078 9.70029 5.05915 8.82943 10.7337 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 6.9327 6.26554 5.81645 9.16104 9.80946 12.6428 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.9327 4.39351 6.75026 9.16104 9.80946 8.28169 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.12546 4.28801 9.93628 3.47529 7.05964 7.17582 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.22514 9.72275 9.57335 11.8083 9.63616 17.4558 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 4.22514 9.53962 8.60653 11.8083 9.63616 14.2852 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.86463 3.99262 7.80375 6.34918 9.93968 9.82442 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 9.63062 12.5294 9.92798 6.0108 7.68964 7.95162 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.87984 5.69409 6.04768 9.40876 8.73798 10.256 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 9.0584 5.69409 9.40173 9.40876 5.24616 10.256 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 6.05736 6.4428 8.89769 9.87425 6.82267 7.93893 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 8.34007 13.2158 8.89769 6.88393 6.82267 7.93893 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.45309 11.5736 6.65725 10.5062 9.511 4.79971 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 8.45309 11.5736 6.65725 8.57356 7.72354 5.05856 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.10646 6.79948 8.06003 9.35225 5.04072 8.44353 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 7.10646 6.79948 8.06003 3.95521 8.67956 3.95528 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 8.25961 6.3638 8.76329 6.41178 5.22629 5.24709 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 8.25961 10.361 9.91906 6.41178 5.22629 6.28883 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 4.66398 9.28668 9.14228 11.3639 9.87415 16.0653 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 9.05448 13.7746 9.14228 6.51662 9.87415 16.0653 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 8.5835 10.6258 6.8256 3.41163 8.81508 8.63927 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.15432 4.51217 7.10052 3.75969 5.76793 5.21917 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 5.15432 4.51217 7.10052 11.1754 7.72276 9.79726 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 8.2375 7.77773 7.10052 3.72823 5.76793 5.21917 numMergedOcc 0
29 mol 279 unq 3 iso 0 dist 8.2375 7.77773 7.10052 9.62805 7.72276 9.79726 numMergedOcc 0
30 mol 279 unq 4 iso 0 dist 9.23951 4.85823 7.10052 6.22298 5.76793 5.21917 numMergedOcc 0
31 mol 279 unq 5 iso 0 dist 9.23951 4.85823 7.10052 8.30922 7.72276 9.79726 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 9.91812 9.28495 5.24993 5.88619 6.61811 3.57807 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.85872 8.18822 8.53802 3.76412 9.2144 5.9468 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.85872 8.18822 8.53802 5.39384 8.36585 3.63993 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.85872 8.18822 8.53802 3.76412 9.2144 5.9468 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 8.85872 8.18822 8.53802 5.39384 8.36585 3.63993 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 8.85872 8.18822 8.53802 3.76412 9.2144 5.9468 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.85872 8.18822 8.53802 5.39384 8.36585 3.63993 numMergedOcc 0
