0 mol 38 unq 0 iso 0 dist 4.74069 7.17698 3.50961 7.46414 7.26639 10.7047 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.25594 6.34748 11.1062 15.6547 9.03564 19.296 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.69222 5.82056 3.32668 6.97502 6.45841 5.61588 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.69222 9.09115 8.07648 6.97502 6.45841 7.83244 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.82056 7.69222 3.32668 4.30874 5.5087 8.62198 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.82056 7.69222 3.32668 6.97502 5.61588 6.45841 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 5.82056 9.09115 5.30471 4.30874 5.5087 6.08682 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 5.82056 9.09115 5.30471 6.97502 5.61588 7.83244 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 9.09115 7.69222 8.07648 4.30874 6.08682 8.62198 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 9.09115 7.69222 8.07648 6.97502 7.83244 6.45841 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 9.09115 5.82056 5.30471 4.30874 6.08682 5.5087 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 9.09115 5.82056 5.30471 6.97502 7.83244 5.61588 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 8.44482 6.21094 4.79267 11.0048 9.87329 11.9471 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.76849 9.18365 4.88633 6.06775 7.51139 10.0565 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 9.76849 9.18365 4.88633 14.7449 7.80898 10.5947 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 8.23073 9.11547 10.3056 7.95165 8.27883 11.5783 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 8.23073 9.11547 10.3056 6.67589 7.7152 14.2275 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.31543 8.85652 5.94312 4.80675 6.69691 5.51197 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.85652 9.31543 5.94312 4.80675 5.51197 6.69691 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 7.15213 8.86516 3.69499 7.49673 6.93139 10.5849 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.17216 9.44172 3.55572 6.62991 6.59889 8.9192 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 9.17216 9.44172 3.55572 13.4463 6.70693 9.27706 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 9.44172 9.17216 3.55572 6.62991 8.9192 6.59889 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.63224 6.98794 5.9655 6.34098 9.78634 5.64942 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 6.98794 9.63224 5.9655 6.34098 5.64942 9.78634 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 6.98794 9.63224 5.9655 9.57246 6.97962 12.8149 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.94981 5.90986 8.05944 17.0867 8.1945 14.7849 numMergedOcc 0
27 mol 225 unq 1 iso 0 dist 8.94981 5.90986 8.05944 6.89798 6.50998 9.09424 numMergedOcc 0
28 mol 225 unq 2 iso 0 dist 8.94981 7.50697 13.7858 17.0867 8.1945 21.1757 numMergedOcc 0
29 mol 225 unq 3 iso 0 dist 8.94981 7.50697 13.7858 6.89798 6.50998 8.14831 numMergedOcc 0
30 mol 225 unq 4 iso 0 dist 5.90986 8.94981 8.05944 6.89798 9.09424 6.50998 numMergedOcc 0
31 mol 225 unq 5 iso 0 dist 5.90986 7.50697 11.2712 6.89798 9.09424 8.14831 numMergedOcc 0
32 mol 225 unq 6 iso 0 dist 7.50697 8.94981 13.7858 6.89798 8.14831 6.50998 numMergedOcc 0
33 mol 225 unq 7 iso 0 dist 7.50697 5.90986 11.2712 6.89798 8.14831 9.09424 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.67281 6.5311 13.167 7.01206 9.12776 9.3718 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.67281 6.5311 13.167 11.2453 9.72188 13.9517 numMergedOcc 0
36 mol 251 unq 0 iso 0 dist 5.62261 6.17824 3.63976 6.33949 7.39775 6.50357 numMergedOcc 0
37 mol 251 unq 1 iso 0 dist 6.17824 5.62261 3.63976 5.99541 9.82601 10.322 numMergedOcc 0
38 mol 251 unq 2 iso 0 dist 6.17824 5.62261 3.63976 6.33949 6.50357 7.39775 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 8.40328 8.2518 3.51848 6.18571 5.85442 6.95511 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.40328 8.2518 3.51848 12.3834 6.9899 10.4017 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 8.2518 8.40328 3.51848 11.0067 9.46361 10.3406 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 8.2518 8.40328 3.51848 6.18571 6.95511 5.85442 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 8.45524 9.79769 5.18071 8.26567 6.44147 11.2228 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 8.45524 9.66055 9.5745 8.26567 6.44147 11.4951 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 6.95569 8.66133 15.0189 11.0966 6.31969 18.8091 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.91103 7.0603 3.39114 16.3552 9.57499 11.4389 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 9.91103 7.0603 3.39114 10.4297 5.46926 5.13913 numMergedOcc 0
48 mol 277 unq 2 iso 0 dist 9.91103 7.0603 3.39114 5.77904 8.9682 6.92711 numMergedOcc 0
49 mol 277 unq 3 iso 0 dist 7.0603 9.91103 3.39114 10.4297 5.13913 5.46926 numMergedOcc 0
50 mol 277 unq 4 iso 0 dist 7.0603 9.91103 3.39114 5.77904 6.92711 8.9682 numMergedOcc 0
51 mol 285 unq 0 iso 0 dist 6.24134 5.49829 8.58145 9.237 7.80862 12.3855 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 7.32002 6.78424 3.52904 10.9431 9.74118 12.7664 numMergedOcc 0
