0 mol 11 unq 0 iso 0 dist 9.78754 9.04534 6.51674 9.26728 9.81983 6.83186 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.17655 9.00872 9.83579 8.65738 6.2576 13.8238 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 6.47416 9.00872 5.29018 8.65738 8.96069 13.8238 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.7913 5.04673 5.09449 14.5986 6.89071 10.8202 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.59552 6.04223 6.882 13.0919 9.69694 15.8067 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.37888 5.48163 3.98877 6.87448 8.4219 8.10623 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.11438 7.29864 9.74373 12.6706 8.4219 17.6951 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 7.11438 7.7399 3.98877 12.6706 8.4219 8.10623 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 14.6061 7.83506 10.8976 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.4518 6.58814 5.73248 14.6061 7.83506 10.3155 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 7.4518 6.13459 13.5809 14.6061 7.83506 20.602 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 7.4518 7.54391 14.149 14.6061 7.83506 20.1586 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.25249 9.68556 3.61204 4.48773 7.55367 6.5816 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.41411 8.73928 3.61204 3.78499 7.55367 6.5816 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 3.77247 5.35711 7.02358 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 5.37302 7.08403 3.52111 7.1034 6.23759 9.75234 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 9.66068 7.96893 6.29259 3.74516 7.40338 5.31126 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 8.03783 7.96893 8.17309 7.4003 5.35711 11.772 numMergedOcc 0
18 mol 113 unq 4 iso 0 dist 8.03783 7.96893 8.17309 3.74516 6.23759 5.31126 numMergedOcc 0
19 mol 128 unq 0 iso 0 dist 6.03154 8.46801 6.30769 4.62046 7.4442 6.08651 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.78469 9.48934 5.16197 10.5537 9.62774 5.60448 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 8.01453 6.41183 5.16197 5.51254 9.62774 5.60448 numMergedOcc 0
22 mol 148 unq 0 iso 0 dist 9.80819 6.81449 10.5863 13.1327 5.75959 15.5866 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 9.81665 6.87593 10.5688 13.0356 5.4798 15.4117 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 7.13766 6.12453 5.86767 numMergedOcc 0
25 mol 168 unq 1 iso 0 dist 8.90876 8.97414 8.8681 7.29489 9.87447 10.293 numMergedOcc 0
26 mol 168 unq 2 iso 0 dist 8.90876 8.00063 5.71136 7.13766 6.12453 8.89343 numMergedOcc 0
27 mol 168 unq 3 iso 0 dist 8.90876 8.00063 5.71136 7.29489 9.87447 12.6485 numMergedOcc 0
28 mol 169 unq 0 iso 0 dist 5.51388 7.33643 3.83687 3.89732 5.41121 6.96715 numMergedOcc 0
29 mol 169 unq 1 iso 0 dist 5.51388 7.33643 3.83687 7.16323 6.35799 10.1862 numMergedOcc 0
30 mol 169 unq 2 iso 0 dist 8.17917 7.78577 7.83748 7.68348 5.41121 11.645 numMergedOcc 0
31 mol 169 unq 3 iso 0 dist 8.17917 7.78577 7.83748 3.69097 6.35799 5.10589 numMergedOcc 0
32 mol 169 unq 4 iso 0 dist 7.79437 7.50458 14.1141 4.24401 9.84538 5.10589 numMergedOcc 0
33 mol 169 unq 5 iso 0 dist 7.79437 5.79554 13.1539 4.24401 9.84538 4.63336 numMergedOcc 0
34 mol 169 unq 6 iso 0 dist 7.79437 4.22003 11.6489 4.24401 9.84538 6.10715 numMergedOcc 0
35 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 9.10254 7.02762 8.53111 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 7.23557 8.93485 9.43113 9.4797 7.75318 16.1183 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 8.86587 5.66636 9.43113 13.314 7.75318 16.1183 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 8.42502 9.33231 3.68966 3.78608 8.95332 10.5317 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 3.48905 6.49413 9.66527 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 5.68717 7.88108 3.60349 3.43711 6.12343 7.04263 numMergedOcc 0
41 mol 260 unq 2 iso 0 dist 5.68717 7.88108 3.60349 8.84611 4.52405 6.48099 numMergedOcc 0
42 mol 260 unq 3 iso 0 dist 5.68717 9.46576 7.28821 3.48905 6.49413 8.62655 numMergedOcc 0
43 mol 260 unq 4 iso 0 dist 5.68717 9.46576 7.28821 3.43711 6.12343 11.9844 numMergedOcc 0
44 mol 260 unq 5 iso 0 dist 5.68717 9.46576 7.28821 8.84611 4.52405 9.01781 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
