0 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 5.51815 4.61088 6.54358 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 14.2406 7.57578 10.9703 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 9.23015 5.63212 15.6642 7.17969 10.3338 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 5.07641 7.99312 8.76849 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 5.36895 4.29713 7.18662 8.54745 8.2183 11.4753 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.5249 8.80331 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 10.4413 6.20293 6.75943 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.67213 8.92175 4.32726 6.57102 9.0709 10.2245 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.33532 9.65964 13.3074 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 6.77833 5.4014 8.20805 5.33532 9.65964 10.4272 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 9.83265 9.19079 12.7012 7.6455 9.65964 13.3074 numMergedOcc 0
11 mol 70 unq 3 iso 0 dist 9.83265 8.37742 8.20805 7.6455 9.65964 10.4272 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 10.5786 8.8178 12.4827 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 5.48831 9.20886 7.07356 13.0773 9.96708 12.1131 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 5.48831 9.20886 7.07356 10.5933 9.78528 7.66093 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 11.2307 7.9245 15.2056 numMergedOcc 0
17 mol 94 unq 0 iso 0 dist 6.31237 8.97936 4.50272 6.26149 7.89459 12.2268 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.90775 7.84956 7.45908 4.16047 9.03572 11.5783 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 7.90775 8.57607 4.99174 4.16047 9.03572 8.27883 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 7.90775 6.1991 4.46005 4.16047 9.03572 5.75428 numMergedOcc 0
21 mol 95 unq 3 iso 0 dist 7.90775 5.96246 8.28518 4.16047 9.03572 8.57395 numMergedOcc 0
22 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 8.90571 7.36792 13.7125 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 5.68669 8.69985 8.52024 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 6.80429 8.69985 8.52024 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 9.75696 8.37808 11.6822 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 6.16353 6.54501 12.4385 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.42271 7.76446 15.9138 7.07625 6.49416 11.0808 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 9.42271 6.14652 12.3479 6.16353 6.54501 11.2896 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 9.42271 6.14652 12.3479 7.07625 6.49416 9.33094 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 5.79157 7.96353 10.7951 13.0109 9.86662 19.209 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 5.79157 7.96353 10.7951 14.1608 9.71307 20.4188 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.65129 8.56324 6.59889 numMergedOcc 0
33 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 10.5295 6.70283 6.70693 numMergedOcc 0
34 mol 152 unq 2 iso 0 dist 8.34839 9.4275 5.39112 10.7929 7.16148 10.4895 numMergedOcc 0
35 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 5.65129 8.56324 8.9192 numMergedOcc 0
36 mol 152 unq 4 iso 0 dist 8.34839 9.83462 4.84714 10.5295 6.70283 9.27706 numMergedOcc 0
37 mol 152 unq 5 iso 0 dist 8.34839 9.83462 4.84714 10.7929 7.16148 11.6735 numMergedOcc 0
38 mol 169 unq 0 iso 0 dist 6.28961 8.89822 5.7891 5.3864 8.49164 13.0153 numMergedOcc 0
39 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 14.4072 6.69288 15.7548 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 13.0519 6.43573 17.2277 numMergedOcc 0
41 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 10.5681 7.17202 13.544 numMergedOcc 0
42 mol 178 unq 3 iso 0 dist 8.04723 8.81097 10.8373 9.1499 8.81551 15.2622 numMergedOcc 0
43 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 6.184 9.96154 12.632 numMergedOcc 0
44 mol 188 unq 1 iso 0 dist 8.67271 6.32826 6.47015 6.184 9.96154 10.9261 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 9.25882 9.71147 6.95738 9.40714 7.80463 13.5527 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 9.25882 6.32553 3.56269 9.40714 7.80463 6.52816 numMergedOcc 0
47 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 11.2069 8.82096 13.7978 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 6.52416 8.22528 7.27993 numMergedOcc 0
49 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 6.52416 8.22528 10.3243 numMergedOcc 0
50 mol 229 unq 2 iso 0 dist 6.88694 9.90415 7.22525 6.52416 7.03423 7.27993 numMergedOcc 0
51 mol 229 unq 3 iso 0 dist 6.88694 9.90415 7.22525 11.1919 9.06952 11.9869 numMergedOcc 0
52 mol 229 unq 4 iso 0 dist 6.88694 6.92268 4.92403 6.52416 7.03423 10.3243 numMergedOcc 0
53 mol 229 unq 5 iso 0 dist 6.88694 6.92268 4.92403 11.1919 9.06952 13.7137 numMergedOcc 0
54 mol 229 unq 6 iso 0 dist 8.53615 5.96615 5.70473 6.81165 8.22528 7.27993 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 7.57253 8.1692 5.42461 9.29407 8.27212 10.3021 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 18.4732 9.99038 19.0739 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 8.95071 5.9625 10.5937 12.8358 6.27581 15.106 numMergedOcc 0
58 mol 243 unq 0 iso 0 dist 7.80612 9.89379 4.81639 9.62983 8.23192 11.4025 numMergedOcc 0
59 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 7.63032 7.69895 10.6429 numMergedOcc 0
60 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 6.42334 7.21521 10.9783 numMergedOcc 0
61 mol 248 unq 2 iso 0 dist 7.40475 5.65458 7.48679 6.86606 8.2965 10.6091 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 15.6875 9.7748 12.1398 numMergedOcc 0
