0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 10.0962 7.85986 8.25818 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.90581 7.88072 5.6849 4.83638 12.7096 9.63882 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.90581 7.88072 5.6849 5.2103 9.94082 6.87277 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 13.819 18.0227 8.14245 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.8073 7.49794 13.357 11.8742 15.5445 6.36817 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.8073 7.49794 13.357 5.44298 7.32996 8.0812 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.8073 7.49794 13.357 9.10301 13.8202 4.17933 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 6.8073 7.49794 13.357 7.24268 11.605 5.54893 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 6.42242 5.43913 10.8889 5.39197 7.20729 8.65524 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.42242 5.43913 10.8889 9.53255 13.73 8.96151 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.42242 5.43913 10.8889 7.75132 11.6534 9.02535 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.42242 8.26877 13.697 5.39197 7.20729 8.22812 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.42242 8.26877 13.697 9.53255 13.73 4.22002 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 6.42242 8.26877 13.697 7.75132 11.6534 5.77855 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 6.42242 8.26877 13.697 14.2848 17.948 8.10774 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 6.42242 8.26877 13.697 12.4977 15.8154 6.5241 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 5.60663 7.49794 6.34854 13.819 12.8942 8.14245 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 5.60663 7.49794 6.34854 11.8742 8.56365 6.36817 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 5.60663 7.49794 6.34854 5.44298 7.47783 8.0812 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 5.60663 7.49794 6.34854 9.10301 8.74151 4.17933 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 5.60663 7.49794 6.34854 7.24268 8.69662 5.54893 numMergedOcc 0
21 mol 63 unq 0 iso 0 dist 5.55574 6.89855 7.1742 5.04771 9.50826 8.14512 numMergedOcc 0
22 mol 63 unq 1 iso 0 dist 5.55574 6.89855 7.1742 9.54378 10.7206 9.13228 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 6.51961 9.44983 4.15789 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 9.22889 7.75543 6.0298 4.08459 5.79139 4.808 numMergedOcc 0
25 mol 79 unq 2 iso 0 dist 7.99438 4.2253 6.1647 8.65653 10.0108 6.20144 numMergedOcc 0
26 mol 79 unq 3 iso 0 dist 6.64915 4.2253 4.31939 8.65653 5.79139 6.20144 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 6.90443 8.04853 6.67137 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 17.0873 11.3824 9.78707 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 13.5026 14.0171 7.07839 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 10.1386 15.5788 9.09711 numMergedOcc 0
31 mol 85 unq 4 iso 0 dist 9.18097 8.49887 7.66499 13.1772 15.4163 7.91193 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 9.18097 8.49887 7.66499 6.90443 8.04853 7.04244 numMergedOcc 0
33 mol 85 unq 6 iso 0 dist 9.18097 8.49887 7.66499 17.0873 11.3824 9.63449 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 8.83135 9.43839 5.22259 14.6513 8.04853 6.67137 numMergedOcc 0
35 mol 85 unq 8 iso 0 dist 8.83135 9.43839 5.22259 4.43737 11.3824 9.78707 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 5.74593 4.91714 3.98877 3.63696 8.4219 8.10623 numMergedOcc 0
37 mol 92 unq 1 iso 0 dist 8.02376 4.91714 8.90513 3.63696 10.2864 8.10623 numMergedOcc 0
38 mol 92 unq 2 iso 0 dist 6.6186 8.01266 4.15826 4.65353 9.22418 8.55237 numMergedOcc 0
39 mol 98 unq 0 iso 0 dist 7.48563 9.45257 3.61204 7.22521 7.55367 6.5816 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 11.7008 17.7356 5.10542 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 8.09776 9.81055 15.4151 11.7008 17.7356 4.68722 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 14.7138 19.4115 5.18325 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 5.4455 7.56217 3.7326 11.7008 8.43182 5.10542 numMergedOcc 0
44 mol 194 unq 4 iso 0 dist 5.4455 9.81055 7.29209 11.7008 8.43182 4.68722 numMergedOcc 0
45 mol 194 unq 5 iso 0 dist 5.4455 9.81055 7.29209 14.7138 11.0347 5.18325 numMergedOcc 0
46 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 10.6524 11.8881 8.32259 numMergedOcc 0
47 mol 204 unq 1 iso 0 dist 9.23676 8.77524 3.85186 9.88337 13.0568 9.93489 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 8.85051 8.01593 6.2222 4.45276 12.4872 9.47092 numMergedOcc 0
49 mol 233 unq 0 iso 0 dist 9.83883 8.2484 5.24709 5.02086 11.1329 7.83831 numMergedOcc 0
50 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 8.8893 9.73723 8.66299 numMergedOcc 0
51 mol 253 unq 1 iso 0 dist 9.50983 9.31626 5.68255 13.3075 9.73723 8.66299 numMergedOcc 0
52 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 11.4342 11.5842 7.85841 numMergedOcc 0
53 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 11.2466 9.50951 9.20109 numMergedOcc 0
54 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 6.51471 4.36333 5.58222 numMergedOcc 0
55 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 12.2408 11.5353 7.8598 numMergedOcc 0
56 mol 266 unq 1 iso 0 dist 6.77259 7.36137 4.60397 13.1028 11.7606 8.25286 numMergedOcc 0
57 mol 266 unq 2 iso 0 dist 6.77259 4.95415 5.26919 12.2408 11.5353 7.80711 numMergedOcc 0
58 mol 266 unq 3 iso 0 dist 6.77259 4.95415 5.26919 13.1028 11.7606 9.9965 numMergedOcc 0
59 mol 284 unq 0 iso 0 dist 4.87349 8.2236 9.94624 8.4652 9.75958 5.6964 numMergedOcc 0
60 mol 285 unq 0 iso 0 dist 6.46935 4.95596 9.60745 4.57431 9.23689 5.88958 numMergedOcc 0
61 mol 285 unq 1 iso 0 dist 6.46935 6.3508 12.3762 4.57431 9.23689 7.78121 numMergedOcc 0
