0 mol 11 unq 0 iso 0 dist 9.78754 9.26728 9.81983 9.04534 6.51674 6.83186 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.17655 8.65738 6.2576 10.6942 4.37918 4.15789 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 6.47416 8.65738 8.96069 10.6942 9.08423 4.15789 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 9.78129 7.3779 6.2576 10.6363 4.37918 4.15789 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.7913 14.5986 6.89071 14.0026 9.18008 8.10623 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.11127 3.94069 8.4219 8.39069 3.98877 8.10623 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.37888 6.87448 8.4219 5.48163 3.98877 8.10623 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.11438 12.6706 8.4219 7.7399 3.98877 8.10623 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.4518 14.6061 7.83506 14.6324 8.98901 5.20429 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.4518 14.6061 7.83506 15.2647 8.52329 8.71366 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.25249 4.48773 7.55367 9.68556 3.61204 6.5816 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.41411 3.78499 7.55367 8.73928 3.61204 6.5816 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.37302 3.77247 5.35711 7.08403 3.52111 7.02358 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 5.37302 7.1034 6.23759 11.0815 8.17309 5.31126 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 5.37302 7.1034 6.23759 11.8871 9.30967 7.16619 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 9.66068 3.74516 7.40338 7.96893 6.29259 5.31126 numMergedOcc 0
16 mol 113 unq 4 iso 0 dist 9.66068 3.74516 7.40338 10.3461 7.08122 7.16619 numMergedOcc 0
17 mol 113 unq 5 iso 0 dist 8.03783 7.4003 5.35711 11.3681 3.52111 7.02358 numMergedOcc 0
18 mol 113 unq 6 iso 0 dist 8.03783 3.74516 6.23759 7.96893 8.17309 5.31126 numMergedOcc 0
19 mol 113 unq 7 iso 0 dist 8.03783 3.74516 6.23759 10.3461 9.30967 7.16619 numMergedOcc 0
20 mol 113 unq 8 iso 0 dist 8.47541 7.80142 5.35711 9.88567 3.52111 7.02358 numMergedOcc 0
21 mol 113 unq 9 iso 0 dist 8.47541 9.72813 6.23759 12.3221 8.17309 5.31126 numMergedOcc 0
22 mol 113 unq 10 iso 0 dist 8.47541 9.72813 6.23759 14.7372 9.30967 7.16619 numMergedOcc 0
23 mol 128 unq 0 iso 0 dist 6.03154 4.62046 7.4442 8.46801 6.30769 6.08651 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.78469 10.5537 9.62774 9.48934 5.16197 5.60448 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 8.01453 5.51254 9.62774 6.41183 5.16197 5.60448 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 8.90876 7.13766 6.12453 8.97414 8.8681 5.86767 numMergedOcc 0
27 mol 168 unq 1 iso 0 dist 8.90876 7.13766 6.12453 10.1297 3.73181 5.28353 numMergedOcc 0
28 mol 169 unq 0 iso 0 dist 5.51388 3.89732 5.41121 7.33643 3.83687 6.96715 numMergedOcc 0
29 mol 169 unq 1 iso 0 dist 5.51388 7.16323 6.35799 10.9108 7.83748 5.10589 numMergedOcc 0
30 mol 169 unq 2 iso 0 dist 8.17917 7.68348 5.41121 11.7902 3.83687 6.96715 numMergedOcc 0
31 mol 169 unq 3 iso 0 dist 8.17917 3.69097 6.35799 7.78577 7.83748 5.10589 numMergedOcc 0
32 mol 169 unq 4 iso 0 dist 7.79437 4.24401 9.84538 7.50458 14.1141 5.10589 numMergedOcc 0
33 mol 169 unq 5 iso 0 dist 7.79437 4.24401 9.84538 5.79554 13.1539 4.63336 numMergedOcc 0
34 mol 169 unq 6 iso 0 dist 7.79437 4.24401 9.84538 4.22003 11.6489 6.10715 numMergedOcc 0
35 mol 169 unq 7 iso 0 dist 8.68909 7.61664 5.41121 10.1085 3.83687 6.96715 numMergedOcc 0
36 mol 169 unq 8 iso 0 dist 8.68909 10.1079 6.35799 12.3945 7.83748 5.10589 numMergedOcc 0
37 mol 206 unq 0 iso 0 dist 9.7402 10.8126 5.17607 10.9003 5.6074 6.80296 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 9.69704 8.46732 9.73723 13.0422 5.68255 8.66299 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 5.68717 3.48905 6.49413 9.46576 7.28821 8.62655 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 5.68717 3.43711 6.12343 7.88108 3.60349 7.04263 numMergedOcc 0
41 mol 260 unq 2 iso 0 dist 5.68717 8.84611 4.52405 7.88108 3.60349 6.48099 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 8.76332 9.4876 8.79261 13.7466 8.78384 5.88958 numMergedOcc 0
43 mol 285 unq 1 iso 0 dist 8.76332 11.4925 9.99125 13.7466 8.78384 7.78121 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.76945 9.51119 9.25759 7.84189 5.39801 4.68668 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.76945 9.51119 9.25759 7.84189 5.39801 4.68668 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 7.76945 9.51119 9.25759 7.84189 5.39801 4.68668 numMergedOcc 0
