0 mol 16 unq 0 iso 0 dist 6.75381 5.50193 4.7319 12.5399 6.86055 7.65889 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 10.5855 5.03027 7.52933 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.34277 5.55893 5.04899 9.66051 4.69295 6.55597 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 6.34277 5.55893 5.04899 14.9707 12.2542 9.71956 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 6.34277 5.55893 5.04899 12.256 8.79309 7.07751 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 6.34277 5.55893 5.04899 13.0297 8.17061 8.23761 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 6.34277 5.55893 5.04899 12.2699 13.6145 9.49421 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 9.40763 6.7276 5.04899 11.6898 5.03027 7.52933 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 9.40763 6.7276 5.04899 12.8316 4.69295 6.55597 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 9.40763 6.7276 5.04899 15.6657 12.2542 9.71956 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 9.40763 6.7276 5.04899 13.5395 8.79309 7.07751 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 9.40763 6.7276 5.04899 13.3367 8.17061 8.23761 numMergedOcc 0
12 mol 25 unq 11 iso 0 dist 9.40763 6.7276 5.04899 13.1101 13.6145 9.49421 numMergedOcc 0
13 mol 25 unq 12 iso 0 dist 9.07927 6.44262 7.31767 4.71964 6.10919 7.6114 numMergedOcc 0
14 mol 25 unq 13 iso 0 dist 8.50987 6.44262 6.03987 4.71964 5.86705 7.6114 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 15.3252 9.78221 9.55118 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 7.09258 10.0936 9.78528 14.2569 11.6634 9.10345 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 15.5467 12.1193 7.80898 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 17.2266 15.6249 8.27883 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 6.5136 11.085 8.03644 16.3593 12.4896 5.75428 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 18.8352 14.2178 8.57395 numMergedOcc 0
21 mol 95 unq 3 iso 0 dist 6.5136 11.085 8.03644 14.3836 8.78079 9.85409 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 12.1666 5.70579 8.80934 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 18.8932 10.5783 6.10127 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 8.98848 10.0436 7.83136 8.15473 3.55765 8.19331 numMergedOcc 0
25 mol 117 unq 2 iso 0 dist 8.98848 6.81312 7.0603 8.15473 3.55765 8.85711 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 9.06272 10.7142 5.83384 15.5462 9.00231 5.58833 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 8.25027 4.19723 7.22643 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.5778 13.5276 6.49416 16.7168 12.3479 9.33094 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 9.64785 4.67662 7.81207 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 6.91573 12.444 9.2313 17.5501 13.5913 7.18002 numMergedOcc 0
31 mol 142 unq 2 iso 0 dist 6.91573 7.18287 5.31024 9.64785 4.67662 6.14151 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 7.47249 6.8201 9.76807 10.3668 4.78249 9.51256 numMergedOcc 0
33 mol 182 unq 0 iso 0 dist 6.32172 11.6953 9.31746 14.69 8.82964 9.56028 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 8.58465 6.37463 7.54065 12.9635 11.0961 6.61112 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 8.81925 12.5625 7.21333 10.8651 6.84862 5.56538 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 8.81925 12.5625 7.21333 10.5998 9.53117 7.48954 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 9.67544 6.23286 9.87838 9.69367 4.61227 6.95201 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 9.5181 4.94699 6.7625 11.3427 5.75498 7.81215 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.09166 9.48707 7.31233 15.4211 10.3162 9.12776 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 9.73858 7.43079 6.16342 13.8157 10.6736 6.73665 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 10.1791 5.05362 9.63573 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 8.70852 5.07898 7.84554 6.93417 5.8801 7.66153 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 9.89728 5.07898 7.46176 10.1791 5.21606 9.63573 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 9.89728 5.07898 7.46176 6.93417 11.8896 7.66153 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 6.42437 5.07898 9.18903 10.1791 7.46841 9.63573 numMergedOcc 0
46 mol 259 unq 5 iso 0 dist 6.42437 5.07898 9.18903 6.93417 5.81576 7.66153 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 9.82685 4.33194 9.17653 12.2745 10.7813 8.29262 numMergedOcc 0
