0 mol 11 unq 0 iso 0 dist 9.04534 9.26728 6.83186 9.78754 6.51674 9.81983 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.76224 13.0183 7.08766 17.1957 10.8722 8.69709 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.57551 7.27578 7.7485 9.1402 3.56619 9.87699 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.48163 6.87448 8.10623 6.37888 3.98877 8.4219 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.7399 12.6706 8.10623 7.11438 3.98877 8.4219 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.33353 6.21004 8.55237 10.5329 4.15826 9.22418 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.68556 4.48773 6.5816 13.8961 9.43399 9.90672 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.68556 4.48773 6.5816 9.25249 3.61204 7.55367 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.73928 3.78499 6.5816 13.1142 9.43399 9.90672 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.73928 3.78499 6.5816 8.41411 3.61204 7.55367 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.86767 5.96967 7.02358 14.3332 14.7833 9.62952 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 7.08403 3.77247 7.02358 5.37302 3.52111 5.35711 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 7.96893 3.74516 5.31126 9.66068 6.29259 7.40338 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 7.96893 3.74516 5.31126 8.03783 8.17309 6.23759 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.30187 9.55157 9.02015 17.7716 13.6461 9.82836 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 9.30187 9.55157 9.02015 12.6334 6.05048 6.5788 numMergedOcc 0
16 mol 117 unq 2 iso 0 dist 9.30187 9.55157 9.02015 10.3116 4.42665 6.2771 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 5.38983 6.13996 6.08651 10.3883 6.30769 7.4442 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 8.46801 4.62046 6.08651 6.03154 6.30769 7.4442 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.48934 10.5537 5.60448 6.78469 5.16197 9.62774 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.41183 5.51254 5.60448 8.01453 5.16197 9.62774 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 8.97414 7.13766 5.86767 8.90876 8.8681 6.12453 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 7.33643 3.89732 6.96715 5.51388 3.83687 5.41121 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 7.50458 4.24401 5.10589 7.79437 14.1141 9.84538 numMergedOcc 0
24 mol 169 unq 2 iso 0 dist 7.78577 3.69097 5.10589 10.1612 6.28646 7.85698 numMergedOcc 0
25 mol 169 unq 3 iso 0 dist 7.78577 3.69097 5.10589 8.17917 7.83748 6.35799 numMergedOcc 0
26 mol 169 unq 4 iso 0 dist 5.79554 4.24401 4.63336 7.79437 13.1539 9.84538 numMergedOcc 0
27 mol 169 unq 5 iso 0 dist 4.22003 4.24401 6.10715 7.79437 11.6489 9.84538 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.69952 8.26669 7.25595 14.8919 9.73374 9.31569 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 7.69952 8.26669 7.25595 15.5743 14.2269 8.72743 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 7.49754 7.61073 9.71831 11.6475 6.78109 8.59946 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 9.67243 9.5606 9.64861 11.4944 16.2332 9.89191 numMergedOcc 0
32 mol 254 unq 0 iso 0 dist 7.89302 8.51317 9.20109 14.055 11.9238 9.50951 numMergedOcc 0
33 mol 260 unq 0 iso 0 dist 7.88108 3.43711 7.04263 5.68717 3.60349 6.12343 numMergedOcc 0
34 mol 260 unq 1 iso 0 dist 7.88108 8.84611 6.48099 5.68717 3.60349 4.52405 numMergedOcc 0
35 mol 260 unq 2 iso 0 dist 9.46576 3.48905 8.62655 5.68717 7.28821 6.49413 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 6.73396 7.01472 5.88958 13.1934 8.78384 8.79261 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 6.73396 11.0045 7.78121 13.1934 8.78384 9.99125 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 7.84189 9.51119 4.68668 7.76945 5.39801 9.25759 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 7.84189 9.51119 4.68668 7.76945 5.39801 9.25759 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.84189 9.51119 4.68668 7.76945 5.39801 9.25759 numMergedOcc 0
