0 mol 64 unq 0 iso 0 dist 8.93949 4.39847 6.44118 8.0009 4.76091 7.8986 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.93949 4.39847 6.44118 8.91298 6.13923 7.24183 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 8.04639 6.03391 9.37957 7.1612 6.43842 6.85819 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.89394 5.73112 4.98104 11.0635 5.1767 8.67865 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.91446 11.6391 7.88564 16.6442 9.7552 5.61016 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.91446 8.46662 6.78459 14.4821 6.67262 7.11187 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.91446 8.46662 6.78459 10.1666 9.96864 6.60356 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 5.66196 5.24877 5.31281 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.2806 4.30864 7.11388 7.80819 4.57807 7.25133 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 9.2806 4.30864 7.11388 13.0641 10.1683 9.33622 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.07676 6.18164 6.00053 13.7613 9.49952 8.78709 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 5.80867 10.1488 6.47339 10.1205 4.81051 4.58291 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 9.4363 12.8945 6.47339 13.0603 4.81051 4.58291 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 9.82765 9.43858 8.63308 5.02094 11.3877 9.8921 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 21.6542 17.404 9.81136 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.96424 14.7144 8.48112 10.5093 8.70715 9.17355 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.96424 14.7144 8.48112 14.6698 8.22716 8.5434 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 8.93637 15.653 9.8711 11.0559 10.6943 7.86207 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.13194 8.83643 9.31417 9.04337 6.3873 6.74214 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.13194 4.55701 5.56719 9.04337 6.3873 5.33462 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 7.80166 11.1397 9.31417 12.6972 6.3873 6.74214 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 7.80166 8.53461 5.56719 12.6972 6.3873 5.33462 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.93507 6.06312 5.78121 10.639 6.28944 6.18866 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 10.639 12.5843 6.18866 numMergedOcc 0
24 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 10.639 12.5843 9.3807 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 12.618 8.63445 9.45077 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.47382 12.8835 7.93997 9.49732 6.18571 4.55368 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 7.92491 5.9309 9.53225 8.821 4.69801 7.53773 numMergedOcc 0
