0 mol 2 unq 0 iso 0 dist 6.89072 9.78005 10.5078 5.67638 6.90295 10.9877 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.6309 9.23414 3.3748 13.2906 8.3613 9.33141 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.23414 9.6309 3.3748 13.2906 9.33141 8.3613 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 6.09533 8.02671 3.06597 6.47139 9.1397 11.173 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 7.17695 9.33207 3.39356 6.21227 6.09002 9.45204 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 4.90216 9.84217 10.472 10.9658 8.30217 17.5124 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.48827 7.14048 3.24688 7.17843 7.91148 6.59794 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 8.03895 5.68873 3.24688 4.4651 7.91148 6.59794 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 7.14048 8.48827 3.24688 7.17843 6.59794 7.91148 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 5.68873 8.03895 3.24688 4.4651 6.59794 7.91148 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.40699 8.56269 12.9011 12.0948 7.74064 16.8258 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.16089 9.58434 5.7181 5.89379 6.42623 10.2878 numMergedOcc 0
12 mol 136 unq 0 iso 0 dist 9.73897 8.59512 9.83798 6.38418 9.92504 12.5435 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 8.76449 8.36182 3.6066 6.91778 6.73617 9.03544 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 8.36182 8.76449 3.6066 6.91778 9.03544 6.73617 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 8.00063 8.97414 8.38976 12.1014 8.92592 15.6838 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 7.58661 6.53993 5.64829 6.54937 9.63576 11.5859 numMergedOcc 0
17 mol 180 unq 1 iso 0 dist 5.81023 8.4285 5.64829 6.91082 9.63576 11.5859 numMergedOcc 0
18 mol 180 unq 2 iso 0 dist 7.80553 8.39019 5.64829 10.1423 9.63576 11.5859 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 5.50896 8.00119 4.68134 9.42381 9.1139 13.2103 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 7.16035 6.2675 5.6959 10.0008 9.96536 13.9709 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 9.61725 9.52042 5.6959 9.95614 9.96536 13.9709 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 9.25184 9.49242 12.017 3.84723 6.85824 11.1783 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 8.00949 8.19257 13.0962 4.43222 9.43618 12.3448 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 7.64079 9.33969 9.65274 4.86949 8.60731 13.8204 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.71119 6.21648 9.28234 11.8779 9.19385 16.2265 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 8.71119 6.21648 9.28234 15.4152 9.1927 17.7976 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.72101 8.75619 3.75238 4.88964 9.54359 11.0997 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.72101 8.75619 3.75238 6.76786 5.69112 7.2091 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.75619 8.72101 3.75238 6.76786 7.2091 5.69112 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 5.11998 5.79925 3.75238 14.2115 9.54359 11.0997 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 5.11998 5.79925 3.75238 10.8075 5.69112 7.2091 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 5.79925 5.11998 3.75238 10.8075 7.2091 5.69112 numMergedOcc 0
33 mol 281 unq 0 iso 0 dist 6.82918 4.29351 3.77058 7.74992 5.50053 7.33334 numMergedOcc 0
34 mol 281 unq 1 iso 0 dist 4.29351 6.82918 3.77058 7.74992 7.33334 5.50053 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 9.35302 8.85163 13.4236 4.44211 9.07995 12.3883 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.1471 7.84189 9.30266 5.25853 9.18744 10.1296 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 7.84189 9.1471 9.30266 7.19628 5.30118 13.0643 numMergedOcc 0
38 mol 287 unq 2 iso 0 dist 7.84189 9.1471 9.30266 11.7959 8.98698 17.6905 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 9.1471 7.84189 9.30266 5.25853 9.18744 10.1296 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 7.84189 9.1471 9.30266 7.19628 5.30118 13.0643 numMergedOcc 0
41 mol 288 unq 2 iso 0 dist 7.84189 9.1471 9.30266 11.7959 8.98698 17.6905 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 9.1471 7.84189 9.30266 5.25853 9.18744 10.1296 numMergedOcc 0
43 mol 289 unq 1 iso 0 dist 7.84189 9.1471 9.30266 7.19628 5.30118 13.0643 numMergedOcc 0
44 mol 289 unq 2 iso 0 dist 7.84189 9.1471 9.30266 11.7959 8.98698 17.6905 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 7.48987 8.35637 10.1889 5.57606 7.56669 13.4324 numMergedOcc 0
