0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.69955 8.25132 6.73167 10.177 5.30297 6.07276 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.6385 7.73394 6.73167 7.36856 5.30297 6.07276 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.44506 7.11305 6.38243 11.9684 5.66783 6.81793 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 9.75237 8.67827 6.59716 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.61823 4.3481 6.9223 9.75237 8.67827 6.87506 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.49956 4.3481 7.0561 9.75237 13.0818 6.87506 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 24.4789 15.8624 9.19977 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 23.3751 14.7862 7.28831 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.81831 16.1023 7.8435 18.2573 9.42916 9.71411 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 9.12858 12.4934 7.8435 20.2792 15.8624 9.19977 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 9.12858 12.4934 7.8435 19.3357 14.7862 7.28831 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 9.12858 12.4934 7.8435 16.6164 9.42916 9.71411 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 9.4523 10.8106 7.8435 19.7304 15.8624 9.19977 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.4523 10.8106 7.8435 17.211 14.7862 7.28831 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 9.4523 10.8106 7.8435 17.9577 9.42916 9.71411 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 11.3043 8.02554 9.84703 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 6.65501 11.2092 4.62494 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 6.43433 10.5563 5.43933 11.5768 5.91698 7.67238 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 6.43433 6.75738 7.44041 12.9739 15.0784 8.72725 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 9.92283 12.6108 5.43933 14.3677 5.91698 7.67238 numMergedOcc 0
21 mol 112 unq 3 iso 0 dist 9.92283 5.43385 7.44041 10.1861 15.0784 8.72725 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 17.8739 14.8901 8.67537 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 9.15431 4.57579 6.78801 10.8571 5.66194 7.75314 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 6.92648 8.57203 6.78801 11.8964 5.66194 7.75314 numMergedOcc 0
25 mol 131 unq 2 iso 0 dist 9.29384 12.6005 6.78801 14.9021 5.66194 7.75314 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.56003 6.11469 9.05336 14.5979 10.0747 9.94998 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 7.25673 4.78563 8.612 7.78652 6.60479 5.06564 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 7.25673 4.78563 8.612 8.91301 7.54337 7.5373 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 7.88319 13.7172 6.11331 14.6377 10.8263 9.97968 numMergedOcc 0
32 mol 159 unq 0 iso 0 dist 7.25742 4.48323 6.07821 8.4858 7.97232 9.35202 numMergedOcc 0
33 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 6.35982 7.29587 6.47164 numMergedOcc 0
34 mol 170 unq 1 iso 0 dist 8.15099 4.78249 5.13268 7.51126 8.73585 9.65126 numMergedOcc 0
35 mol 171 unq 0 iso 0 dist 9.11712 4.00127 8.999 11.4288 11.6944 7.47964 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 7.28841 8.0472 8.17226 11.0128 5.80425 8.92115 numMergedOcc 0
37 mol 188 unq 0 iso 0 dist 8.57261 9.71636 7.79115 7.14503 5.0782 8.66624 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 8.65535 5.92931 4.19371 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 6.26839 11.8031 6.72182 12.4952 7.50057 9.00322 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 12.0009 5.92931 4.19371 numMergedOcc 0
41 mol 194 unq 3 iso 0 dist 8.12346 9.09233 6.72182 15.1649 7.50057 9.00322 numMergedOcc 0
42 mol 194 unq 4 iso 0 dist 8.83356 10.463 5.53324 12.645 5.92931 4.19371 numMergedOcc 0
43 mol 194 unq 5 iso 0 dist 8.83356 4.66791 6.72182 6.72379 7.50057 9.00322 numMergedOcc 0
44 mol 194 unq 6 iso 0 dist 8.2654 12.8494 5.53324 13.9101 5.92931 4.19371 numMergedOcc 0
45 mol 194 unq 7 iso 0 dist 8.2654 7.73551 6.72182 13.2138 7.50057 9.00322 numMergedOcc 0
46 mol 195 unq 0 iso 0 dist 6.60567 5.41635 6.34234 7.36683 6.0634 6.22742 numMergedOcc 0
47 mol 195 unq 1 iso 0 dist 6.60567 11.9954 7.87972 17.8873 11.4252 9.24936 numMergedOcc 0
48 mol 195 unq 2 iso 0 dist 7.62942 6.04871 6.34234 9.26504 6.0634 6.22742 numMergedOcc 0
49 mol 195 unq 3 iso 0 dist 7.62942 8.04534 7.87972 11.9628 11.4252 9.24936 numMergedOcc 0
50 mol 212 unq 0 iso 0 dist 8.57827 6.47488 5.50658 11.8495 12.8059 9.10288 numMergedOcc 0
51 mol 212 unq 1 iso 0 dist 8.57827 6.47488 5.50658 11.3832 10.7914 6.19798 numMergedOcc 0
52 mol 212 unq 2 iso 0 dist 8.57827 6.47488 5.50658 13.5692 10.2513 7.24895 numMergedOcc 0
53 mol 212 unq 3 iso 0 dist 6.29767 3.9436 5.50658 8.69988 12.8059 9.10288 numMergedOcc 0
54 mol 212 unq 4 iso 0 dist 6.29767 3.9436 5.50658 8.55903 10.7914 6.19798 numMergedOcc 0
55 mol 212 unq 5 iso 0 dist 6.29767 3.9436 5.50658 10.6618 10.2513 7.24895 numMergedOcc 0
56 mol 212 unq 6 iso 0 dist 8.74585 3.9436 9.22129 8.69988 4.21442 9.10288 numMergedOcc 0
57 mol 212 unq 7 iso 0 dist 8.74585 3.9436 9.22129 8.55903 6.69225 6.19798 numMergedOcc 0
58 mol 212 unq 8 iso 0 dist 8.74585 3.9436 9.22129 10.6618 11.0496 7.24895 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 10.0553 10.0385 5.05368 numMergedOcc 0
60 mol 225 unq 0 iso 0 dist 8.87609 3.97158 7.8744 10.8091 8.98957 6.94762 numMergedOcc 0
61 mol 225 unq 1 iso 0 dist 8.87609 3.97158 7.8744 10.281 6.59663 7.7086 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.43071 12.8075 9.18728 numMergedOcc 0
63 mol 227 unq 1 iso 0 dist 8.03442 5.0317 9.43618 5.41321 4.59123 8.91971 numMergedOcc 0
64 mol 236 unq 0 iso 0 dist 8.50331 11.5307 9.14068 12.6259 5.92456 6.15635 numMergedOcc 0
65 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 12.9597 17.2823 8.09509 numMergedOcc 0
66 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 12.9597 12.0545 8.09509 numMergedOcc 0
67 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 11.0831 12.0545 8.09509 numMergedOcc 0
68 mol 266 unq 0 iso 0 dist 7.71657 4.74189 8.20485 10.1085 8.62248 9.63518 numMergedOcc 0
69 mol 279 unq 0 iso 0 dist 8.29305 8.70069 7.37478 13.6219 5.89415 8.98854 numMergedOcc 0
70 mol 279 unq 1 iso 0 dist 8.29305 8.70069 7.37478 16.8274 15.1378 9.42255 numMergedOcc 0
71 mol 279 unq 2 iso 0 dist 6.43341 4.14939 7.37478 9.09855 5.89415 8.98854 numMergedOcc 0
72 mol 279 unq 3 iso 0 dist 6.43341 4.14939 7.37478 10.6879 15.1378 9.42255 numMergedOcc 0
