0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 4.49033 5.04478 7.04695 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 6.77783 9.06516 14.1424 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.90986 14.3129 9.12845 11.7823 9.96121 6.10146 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 14.4774 7.79336 5.32981 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.78839 9.84195 6.24711 14.4774 7.08559 5.32981 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 9.78839 9.84195 6.24711 8.19638 8.63635 8.90278 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.69574 5.68664 5.94756 6.13812 5.81001 7.39653 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 5.40748 8.17272 7.28228 4.9516 7.11695 5.50513 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 5.40748 8.17272 7.28228 5.25639 7.58093 10.8486 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 10.1263 5.47706 4.92509 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.32064 13.1649 8.65848 10.1263 5.47706 5.22036 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 4.62314 4.4651 6.85523 6.88255 5.47706 4.92509 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 4.62314 9.31889 8.65848 6.88255 5.47706 5.22036 numMergedOcc 0
13 mol 78 unq 4 iso 0 dist 5.85007 7.17843 5.77326 10.1263 8.07568 4.92509 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 6.35234 4.4651 5.77326 6.88255 8.07568 4.92509 numMergedOcc 0
15 mol 89 unq 0 iso 0 dist 7.55644 6.46605 6.53308 6.1164 9.86405 4.46337 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 15.7577 9.39807 6.61299 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 4.45424 4.44979 12.0058 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 4.45424 4.44979 10.0962 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.33961 12.3835 7.78931 4.45424 4.44979 11.2452 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 12.8333 6.61111 8.70415 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 8.3505 10.4417 5.92242 12.8333 6.61111 9.74284 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 8.3505 11.3628 5.2571 12.8333 6.61111 10.0962 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 8.3505 13.9599 8.7497 12.8333 6.61111 11.2452 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 9.29816 5.70962 9.64383 9.31771 4.44979 12.0058 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 9.29816 14.676 7.54889 9.31771 4.44979 10.0962 numMergedOcc 0
26 mol 98 unq 9 iso 0 dist 9.29816 16.3389 7.78931 9.31771 4.44979 11.2452 numMergedOcc 0
27 mol 98 unq 10 iso 0 dist 5.08983 10.1978 9.64383 9.47873 4.44979 12.0058 numMergedOcc 0
28 mol 98 unq 11 iso 0 dist 5.08983 7.1452 7.54889 9.47873 4.44979 10.0962 numMergedOcc 0
29 mol 98 unq 12 iso 0 dist 5.08983 4.96747 7.78931 9.47873 4.44979 11.2452 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 6.40435 6.12922 6.35364 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 10.3316 8.0168 10.7942 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 10.3316 8.0168 10.9739 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 11.5532 7.43401 5.3585 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 11.5532 7.43401 6.74887 numMergedOcc 0
35 mol 144 unq 0 iso 0 dist 7.46026 4.6812 7.64028 13.6501 9.09684 10.4074 numMergedOcc 0
36 mol 146 unq 0 iso 0 dist 6.93154 5.44003 9.04757 10.2064 5.41078 9.18212 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 8.63858 7.29911 12.8482 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 4.40049 5.36254 8.27726 numMergedOcc 0
39 mol 167 unq 0 iso 0 dist 6.48993 6.64464 6.84752 4.0737 7.30954 7.69326 numMergedOcc 0
40 mol 167 unq 1 iso 0 dist 6.48993 5.70785 7.86563 4.0737 7.30954 9.46955 numMergedOcc 0
41 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 4.0737 7.30954 6.36909 numMergedOcc 0
42 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 6.39941 7.06851 8.67522 numMergedOcc 0
43 mol 197 unq 0 iso 0 dist 6.0033 7.56497 9.10817 4.40086 9.27218 5.2908 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 6.0033 5.66137 6.86828 4.40086 9.27218 6.23998 numMergedOcc 0
45 mol 219 unq 0 iso 0 dist 6.52136 5.0241 4.33238 6.16486 7.30481 4.74167 numMergedOcc 0
46 mol 219 unq 1 iso 0 dist 6.52136 4.36122 7.83604 6.16486 7.30481 4.9853 numMergedOcc 0
47 mol 233 unq 0 iso 0 dist 7.1229 6.52848 8.51625 5.3674 6.01775 8.96098 numMergedOcc 0
48 mol 233 unq 1 iso 0 dist 9.55705 5.51 8.51625 9.76593 6.01775 8.96098 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 13.0115 9.84652 8.82861 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.13727 12.521 9.72188 13.0115 9.84652 15.5674 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 8.56975 9.23693 9.12776 14.0686 9.84652 8.82861 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 8.56975 9.18011 9.72188 14.0686 9.84652 15.5674 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 4.09442 6.23661 5.79468 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 4.09442 6.23661 5.31048 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 8.89714 8.50795 6.31969 14.6301 9.06937 7.00883 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 5.95459 6.66172 5.31116 numMergedOcc 0
57 mol 279 unq 0 iso 0 dist 7.59142 11.6042 6.35028 13.1267 8.92667 5.14235 numMergedOcc 0
58 mol 279 unq 1 iso 0 dist 7.59142 11.6042 6.35028 6.7711 6.0283 7.69081 numMergedOcc 0
59 mol 292 unq 0 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 numMergedOcc 0
