0 mol 76 unq 0 iso 0 dist 8.28737 8.66353 8.97793 15.5785 9.85905 9.21694 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 8.28737 12.2209 8.19682 15.5785 9.85905 4.00608 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 7.26032 11.9674 7.79359 7.32234 7.90423 9.49725 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 5.49793 4.51657 7.79359 5.96801 7.90423 9.49725 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 8.25651 7.51049 8.75946 5.87704 5.51831 8.44919 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.09688 10.6273 8.72704 10.9005 7.82475 12.5061 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 10.6273 8.72704 9.06539 5.35782 12.1093 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.26343 11.6898 8.72704 16.0043 7.82475 12.5061 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.26343 11.6898 8.72704 14.1132 5.35782 12.1093 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.41387 6.69306 6.62561 5.63489 6.10127 6.95589 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.0339 9.29705 6.03703 3.48657 6.89918 6.545 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.48641 9.29705 7.61505 3.48657 7.89457 6.545 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 6.48796 8.07097 4.22522 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.64164 6.90242 8.62646 5.02648 7.20495 4.15547 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 6.64164 6.90242 8.62646 12.0503 9.2289 7.0046 numMergedOcc 0
15 mol 167 unq 2 iso 0 dist 6.64164 6.90242 8.62646 10.1276 7.02548 6.24722 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.92766 13.2566 5.90931 6.6094 7.9133 11.2106 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.36642 7.13867 9.19704 8.66359 6.52816 13.4094 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.06306 6.32328 8.45368 4.44853 7.94911 5.9858 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 6.82185 10.693 6.0965 10.1106 8.21793 4.31175 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 6.82185 12.9129 9.59129 10.1106 8.21793 4.89372 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 6.83122 8.77336 6.97182 12.8946 7.46481 11.357 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 6.83122 10.8541 6.1175 12.8946 7.46481 10.9581 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.13194 14.751 9.29858 13.1414 9.72188 11.7938 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.62771 12.4266 9.68513 14.7797 8.82351 5.99163 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.62771 11.091 5.9216 14.7797 8.82351 4.40419 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.80166 12.4266 9.29858 6.10342 9.72188 11.7938 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 6.18342 6.49019 8.80086 4.21309 6.59244 6.0473 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 7.18433 6.04378 4.86729 5.775 5.83329 7.67245 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.8133 8.10093 9.454 11.4338 9.9182 8.68456 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.8133 8.10093 9.454 12.3949 8.9221 7.29981 numMergedOcc 0
