0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 12.506 6.35342 9.97525 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.57437 10.0257 9.67498 17.7278 9.85726 15.0231 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.57437 9.33944 9.32945 17.7278 9.85726 17.302 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 9.42142 5.06934 7.66311 5.63648 8.39221 4.15151 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.56648 10.143 7.88676 5.48395 5.84479 5.66097 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 9.56648 10.143 7.88676 10.1011 8.67719 6.06561 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 15.3073 9.23576 7.46414 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.82315 9.53688 4.628 7.49081 5.92705 6.32949 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 9.67403 8.24748 8.30431 4.90701 9.62468 6.32949 numMergedOcc 0
9 mol 61 unq 2 iso 0 dist 7.28917 14.4616 8.30431 16.7918 9.62468 6.32949 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 4.69583 6.89722 10.5627 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.10386 7.53682 9.27355 15.7901 9.68526 10.8067 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 4.69583 7.26679 10.5627 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 15.8603 9.30776 17.4113 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.66744 14.7261 5.39171 8.59095 6.89722 10.5627 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 6.78043 8.6267 8.67865 7.17015 4.98104 5.1767 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 5.74364 4.68995 8.67865 4.52119 4.98104 5.1767 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 6.97361 6.46237 5.61016 5.89399 7.88564 9.7552 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.52125 5.60763 7.11187 5.89399 6.78459 6.67262 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 8.52125 13.5152 6.60356 5.89399 6.78459 9.96864 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 4.93762 7.29462 5.60268 numMergedOcc 0
21 mol 108 unq 1 iso 0 dist 7.57593 4.2179 8.80334 4.93762 5.4057 5.60268 numMergedOcc 0
22 mol 108 unq 2 iso 0 dist 6.79804 10.5919 9.32474 12.0414 7.29462 5.60268 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 7.66832 9.79203 8.59182 9.47324 8.21889 12.4009 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 7.66832 9.79203 8.59182 4.93112 9.74643 12.8701 numMergedOcc 0
25 mol 109 unq 2 iso 0 dist 7.66832 9.79203 8.59182 4.48038 6.86702 5.95831 numMergedOcc 0
26 mol 109 unq 3 iso 0 dist 8.11083 5.26073 8.59182 12.7688 8.21889 12.4009 numMergedOcc 0
27 mol 109 unq 4 iso 0 dist 8.11083 5.26073 8.59182 10.5733 9.74643 12.8701 numMergedOcc 0
28 mol 109 unq 5 iso 0 dist 8.11083 5.26073 8.59182 4.76017 6.86702 5.95831 numMergedOcc 0
29 mol 120 unq 0 iso 0 dist 9.12964 5.65554 9.18835 5.91353 8.91606 10.5162 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.63018 5.0466 7.07421 5.56946 6.29026 4.80675 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 4.84607 8.84018 13.1243 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 6.85651 14.0828 7.50126 4.84607 8.84018 15.9524 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 7.03858 6.45333 9.07294 11.981 8.84018 13.1243 numMergedOcc 0
34 mol 133 unq 3 iso 0 dist 7.03858 11.5586 7.50126 11.981 8.84018 15.9524 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 4.11061 6.00053 9.49952 numMergedOcc 0
36 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 10.0008 7.31181 11.4393 numMergedOcc 0
37 mol 183 unq 1 iso 0 dist 9.92635 13.9426 7.41743 10.0008 7.31181 6.81609 numMergedOcc 0
38 mol 183 unq 2 iso 0 dist 7.85507 9.98606 6.21267 9.95614 7.31181 11.4393 numMergedOcc 0
39 mol 183 unq 3 iso 0 dist 7.85507 11.9935 7.41743 9.95614 7.31181 6.81609 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 5.79753 12.1167 8.51118 13.0113 8.64255 8.58314 numMergedOcc 0
41 mol 197 unq 1 iso 0 dist 7.56537 5.79567 8.51118 4.57437 8.64255 8.58314 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 9.32657 6.78359 9.89311 10.7813 7.07183 14.1114 numMergedOcc 0
43 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 3.99353 8.63308 11.3877 numMergedOcc 0
44 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 5.47434 9.5723 10.5706 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 6.14732 7.27568 5.2851 10.9746 9.18675 5.14019 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 9.31615 9.54235 9.6645 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 9.46728 4.13744 5.57184 11.9383 6.83152 9.76195 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 9.46728 4.13744 5.57184 9.23693 5.24313 7.01206 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 9.91921 6.12122 6.74214 4.7157 9.31417 6.3873 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 8.20243 6.12122 5.33462 4.7157 5.56719 6.3873 numMergedOcc 0
51 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 9.87799 9.72526 7.93809 numMergedOcc 0
52 mol 255 unq 0 iso 0 dist 8.22083 7.82713 6.25315 12.7687 6.57549 6.92177 numMergedOcc 0
53 mol 258 unq 0 iso 0 dist 9.4886 12.1075 8.57305 11.9201 5.81927 6.51074 numMergedOcc 0
54 mol 258 unq 1 iso 0 dist 9.4886 12.1075 8.57305 8.27707 6.09782 5.57797 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 6.64729 6.77279 13.6207 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 5.98006 7.78289 8.73077 9.79538 9.58006 16.6797 numMergedOcc 0
57 mol 259 unq 2 iso 0 dist 5.98006 5.73217 6.76656 6.64729 6.77279 10.908 numMergedOcc 0
58 mol 259 unq 3 iso 0 dist 5.98006 5.73217 6.76656 9.79538 9.58006 12.7595 numMergedOcc 0
59 mol 259 unq 4 iso 0 dist 5.22111 9.98638 9.45077 5.41945 7.93997 8.63445 numMergedOcc 0
60 mol 259 unq 5 iso 0 dist 5.22111 6.92619 4.55368 5.41945 7.93997 6.18571 numMergedOcc 0
61 mol 259 unq 6 iso 0 dist 8.53598 12.9823 9.45077 10.2837 7.93997 8.63445 numMergedOcc 0
62 mol 259 unq 7 iso 0 dist 8.53598 11.3266 4.55368 10.2837 7.93997 6.18571 numMergedOcc 0
63 mol 264 unq 0 iso 0 dist 8.05522 11.7681 7.61232 5.428 9.01085 8.57403 numMergedOcc 0
64 mol 264 unq 1 iso 0 dist 8.05522 11.7681 7.61232 4.75604 6.28512 8.70128 numMergedOcc 0
65 mol 264 unq 2 iso 0 dist 9.8799 4.93509 7.61232 11.079 9.01085 8.57403 numMergedOcc 0
66 mol 264 unq 3 iso 0 dist 9.8799 4.93509 7.61232 12.5841 6.28512 8.70128 numMergedOcc 0
67 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 7.73011 9.72927 15.3912 numMergedOcc 0
68 mol 265 unq 1 iso 0 dist 8.22353 5.62902 9.50814 7.73011 9.72927 6.35501 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 6.96875 7.79904 5.7574 numMergedOcc 0
70 mol 274 unq 1 iso 0 dist 7.62562 10.4456 6.12202 15.8929 9.02749 7.23876 numMergedOcc 0
71 mol 277 unq 0 iso 0 dist 7.52227 9.59994 8.81903 5.58906 6.60309 5.28949 numMergedOcc 0
72 mol 278 unq 0 iso 0 dist 6.83278 8.84423 8.87405 13.5373 9.82774 8.66976 numMergedOcc 0
73 mol 283 unq 0 iso 0 dist 7.90132 5.37953 7.53773 4.44211 9.53225 4.69801 numMergedOcc 0
