0 mol 27 unq 0 iso 0 dist 7.72334 10.1283 8.11206 16.9919 10.1814 9.77484 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.90154 3.71754 8.11206 8.28463 10.1814 9.77484 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.55469 10.4148 8.80108 15.2661 6.78077 9.33535 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.55469 10.4148 8.80108 13.5382 6.75888 8.26899 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.99959 12.9126 8.80108 11.7927 6.78077 9.33535 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 5.99959 12.9126 8.80108 8.52969 6.75888 8.26899 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.81795 7.11982 8.06829 10.6806 4.94316 9.80142 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 8.13381 5.03719 6.6925 9.24442 5.81128 7.72108 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.41059 5.29313 6.40036 11.3667 10.7942 7.64585 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.53104 5.23522 6.40036 11.1807 10.2377 7.76729 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.1716 6.27514 5.99299 13.4206 9.58627 7.92688 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.82638 6.70767 6.2135 4.93035 7.57216 6.93652 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 9.82638 6.70767 6.2135 10.4824 6.96143 9.54444 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.89595 5.58352 6.90155 7.39961 9.30783 8.47155 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 9.89595 5.58352 6.90155 7.80643 7.29758 9.36805 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 9.89595 5.58352 6.90155 10.8849 4.53931 7.55203 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.25461 4.8403 7.01496 7.68247 6.62321 9.27478 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 7.67499 6.32328 8.74171 9.06306 11.1059 8.45368 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 7.67499 6.32328 8.74171 15.1021 12.2579 9.59129 numMergedOcc 0
19 mol 213 unq 2 iso 0 dist 6.91442 9.7466 6.85195 6.77104 4.93472 6.68292 numMergedOcc 0
20 mol 213 unq 3 iso 0 dist 6.91442 5.52154 6.17451 6.77104 4.93472 4.26212 numMergedOcc 0
21 mol 213 unq 4 iso 0 dist 9.02942 11.5806 6.85195 11.6715 4.93472 6.68292 numMergedOcc 0
22 mol 213 unq 5 iso 0 dist 9.02942 9.51526 6.17451 11.6715 4.93472 4.26212 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 8.39955 6.48676 8.57853 5.52981 4.54272 7.17547 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 8.39955 6.48676 8.57853 6.22077 6.8949 7.13323 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 9.01911 6.23278 7.88284 14.8362 11.0402 8.80086 numMergedOcc 0
26 mol 250 unq 1 iso 0 dist 8.4419 6.49019 9.88279 6.18342 7.26274 8.80086 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 6.1535 12.1152 6.75716 10.7182 5.7074 7.67853 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 8.47112 6.25775 6.73692 6.65024 5.9438 9.58517 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 5.29065 6.28374 7.72845 7.1984 6.46298 9.03492 numMergedOcc 0
