0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 6.51408 9.53992 7.96742 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.89568 4.80868 6.8892 10.9016 11.5675 7.19397 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 7.6948 6.67429 8.31647 11.4314 5.59667 8.17981 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 5.76006 4.86727 5.9021 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 5.25583 5.77108 6.6051 13.3953 10.763 8.98466 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 16.6039 9.4204 9.26685 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 9.76497 5.38502 8.6232 7.31253 5.10048 6.72231 numMergedOcc 0
7 mol 21 unq 1 iso 0 dist 9.76497 5.38502 8.6232 13.1141 5.89271 9.50179 numMergedOcc 0
8 mol 42 unq 0 iso 0 dist 9.50049 8.14608 5.52834 14.3866 5.21506 8.84148 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 14.2052 13.2937 8.36915 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.99735 13.11 9.53081 7.77714 5.41488 6.01454 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 9.7516 4.99432 9.53081 10.7326 13.2937 8.36915 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 9.7516 4.99432 9.53081 6.46118 5.41488 6.01454 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 5.65519 5.88036 6.08228 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 5.65519 5.88036 9.86958 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 10.5228 5.22567 7.02854 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 9.69413 7.89197 9.06641 8.48921 5.12529 6.6146 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 8.88177 5.87263 8.078 12.3073 8.96379 7.81042 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.20977 6.84485 9.39389 7.79845 10.8474 8.15549 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 9.71281 5.35551 9.07294 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.61918 15.392 9.2759 16.3752 10.8516 5.12189 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 8.61918 15.392 9.2759 9.71281 5.35551 7.50126 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 11.2782 6.01484 7.85526 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.25968 10.9848 9.88178 14.045 10.6104 5.33543 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.16949 5.14081 7.60956 9.83976 4.8476 8.05043 numMergedOcc 0
25 mol 140 unq 1 iso 0 dist 8.65294 5.14081 9.9171 9.83976 8.53976 8.05043 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 9.89646 12.352 5.32865 12.6009 4.61905 9.13646 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 9.9332 10.4422 5.32865 13.921 4.61905 9.13646 numMergedOcc 0
28 mol 157 unq 0 iso 0 dist 6.97303 6.72897 6.8976 13.9313 11.1313 9.668 numMergedOcc 0
29 mol 157 unq 1 iso 0 dist 9.37761 7.17345 6.8976 16.2663 11.1313 9.668 numMergedOcc 0
30 mol 158 unq 0 iso 0 dist 6.33118 8.85571 9.96635 10.8909 10.9312 7.07348 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 9.02183 5.15002 6.47689 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 10.9979 9.01399 7.69421 numMergedOcc 0
33 mol 183 unq 1 iso 0 dist 8.22495 10.0544 8.29364 13.5932 6.39127 7.69421 numMergedOcc 0
34 mol 183 unq 2 iso 0 dist 8.39603 10.0544 8.97652 13.5932 9.01399 7.69421 numMergedOcc 0
35 mol 189 unq 0 iso 0 dist 9.46859 6.34597 9.47321 9.57128 8.03657 5.11059 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 7.74423 5.21255 7.30965 numMergedOcc 0
37 mol 198 unq 0 iso 0 dist 9.65489 7.26405 8.51153 7.2078 3.96154 4.58291 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 13.1413 8.34243 7.57716 numMergedOcc 0
39 mol 220 unq 1 iso 0 dist 9.85507 5.58779 6.50756 9.3888 5.82963 8.98362 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 7.61854 8.73194 7.74348 13.7125 13.5224 7.6402 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 10.0379 5.94643 9.59937 numMergedOcc 0
42 mol 241 unq 0 iso 0 dist 5.42605 6.5604 7.26758 12.8152 10.9643 9.174 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 6.77021 5.83092 8.58092 7.42888 13.2474 8.97411 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 numMergedOcc 0
45 mol 258 unq 2 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 numMergedOcc 0
46 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 numMergedOcc 0
47 mol 258 unq 4 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 numMergedOcc 0
48 mol 265 unq 0 iso 0 dist 6.64109 10.9011 7.52632 10.1823 3.89234 9.50814 numMergedOcc 0
49 mol 265 unq 1 iso 0 dist 8.57593 10.0903 7.52632 12.4387 3.89234 9.50814 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 8.65743 5.36882 9.62494 14.0145 18.9489 9.77392 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 8.54653 7.48605 8.83076 14.9183 9.88995 9.43447 numMergedOcc 0
53 mol 280 unq 1 iso 0 dist 8.71581 9.78493 8.83076 14.6668 9.88995 9.43447 numMergedOcc 0
54 mol 280 unq 2 iso 0 dist 9.79817 9.73214 8.83076 10.7318 9.88995 9.43447 numMergedOcc 0
55 mol 281 unq 0 iso 0 dist 7.90993 11.8486 6.58925 11.5643 4.37855 6.7897 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 6.51561 5.44638 5.83342 10.8619 6.00343 9.57857 numMergedOcc 0
57 mol 294 unq 0 iso 0 dist 5.25409 5.29391 9.77023 5.47073 7.87494 5.76337 numMergedOcc 0
58 mol 294 unq 1 iso 0 dist 5.25409 5.29391 9.77023 9.5861 11.4878 9.39625 numMergedOcc 0
