0 mol 52 unq 0 iso 0 dist 7.68916 10.6328 7.18176 9.04053 6.31696 6.29814 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.47417 10.4155 7.18176 11.8458 6.31696 6.29814 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 5.59128 5.02241 13.9555 7.21717 11.0681 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 6.10173 7.21955 10.8421 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 10.6273 8.72704 6.29383 7.38135 11.0949 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.26343 11.6898 8.72704 10.728 7.38135 11.0949 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 10.6075 6.84011 9.23527 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.76613 6.29379 7.20326 5.45718 7.70232 9.79891 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 8.76613 6.29379 7.20326 6.25846 7.4671 9.97229 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 15.1358 8.6355 10.0674 7.80532 14.1488 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 7.76857 6.53347 6.40403 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 8.14907 6.3186 7.70572 7.76857 6.53347 4.40321 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.39961 5.58352 8.47155 5.95655 6.30021 10.0003 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.80643 5.58352 9.36805 11.7605 9.44367 10.143 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 7.80643 5.58352 9.36805 5.95655 9.47433 10.0003 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.64164 6.90242 8.62646 10.2539 9.67741 7.31643 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 4.96326 12.8521 8.61331 5.19351 7.33273 13.7844 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 9.09976 10.9728 8.61331 7.10221 7.33273 13.7844 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 9.73567 7.46138 8.61331 10.2245 7.33273 13.7844 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.96824 5.54495 6.93764 4.75774 5.9176 5.60306 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 6.96824 5.54495 6.93764 9.91956 6.41453 6.05477 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.25528 14.3955 6.94688 15.4597 8.90963 4.43678 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.25528 15.6271 6.71012 15.4597 8.90963 6.03415 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 6.31492 5.37421 6.73313 7.00671 6.73956 5.8726 numMergedOcc 0
24 mol 182 unq 1 iso 0 dist 6.31492 5.37421 6.73313 11.1247 7.09394 10.7622 numMergedOcc 0
25 mol 182 unq 2 iso 0 dist 7.8621 13.0784 6.73313 9.23913 6.73956 5.8726 numMergedOcc 0
26 mol 182 unq 3 iso 0 dist 7.8621 13.0784 6.73313 5.77163 7.09394 10.7622 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.92766 13.2566 5.90931 15.254 9.68728 11.145 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.36642 7.13867 9.19704 10.098 6.03688 14.6029 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 6.82185 10.693 6.0965 10.6201 7.37798 6.17282 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 6.82185 10.693 6.0965 5.50169 7.73322 10.5013 numMergedOcc 0
31 mol 213 unq 2 iso 0 dist 6.82185 12.9129 9.59129 10.6201 7.37798 12.1116 numMergedOcc 0
32 mol 213 unq 3 iso 0 dist 6.82185 12.9129 9.59129 5.50169 7.73322 9.93085 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 5.52981 10.2333 7.18041 5.3192 6.1951 6.16211 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 5.52981 6.48676 7.17547 5.3192 6.1951 7.21048 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 7.69537 11.3668 8.19953 9.80934 9.51597 6.99977 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 7.2527 14.0776 9.90142 10.0472 7.57812 10.3147 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 7.2527 14.0776 9.90142 10.0651 8.69104 15.6823 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 7.13194 14.751 9.29858 10.0472 9.24557 10.3809 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 9.29203 11.091 9.90142 13.6806 7.57812 10.3147 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 9.29203 11.091 9.90142 16.2617 8.69104 15.6823 numMergedOcc 0
41 mol 238 unq 5 iso 0 dist 7.80166 12.4266 9.29858 13.6806 9.24557 10.3809 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 6.42827 5.63238 8.83735 5.74889 5.48118 10.639 numMergedOcc 0
43 mol 284 unq 0 iso 0 dist 7.18433 6.04378 4.86729 11.2038 6.78191 6.76453 numMergedOcc 0
44 mol 284 unq 1 iso 0 dist 9.26573 13.5055 8.41504 15.7062 7.8343 5.39591 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 7.28096 6.32031 6.4778 12.4113 6.89451 12.237 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 7.28096 6.32031 6.4778 12.4113 6.89451 12.237 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 7.28096 6.32031 6.4778 12.4113 6.89451 12.237 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 6.8133 8.10093 9.454 7.95758 7.83341 6.93991 numMergedOcc 0
