0 mol 5 unq 0 iso 0 dist 6.66949 11.1238 7.77059 7.24092 7.50453 13.345 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.50612 6.88535 8.15992 11.823 9.07564 14.4522 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 9.50612 12.4614 4.82562 11.823 9.07564 7.33688 numMergedOcc 0
3 mol 6 unq 2 iso 0 dist 9.50612 10.2672 8.85796 11.823 9.07564 13.7747 numMergedOcc 0
4 mol 6 unq 3 iso 0 dist 6.46784 10.5682 8.15992 3.9416 9.07564 14.4522 numMergedOcc 0
5 mol 6 unq 4 iso 0 dist 6.46784 6.96917 4.82562 3.9416 9.07564 7.33688 numMergedOcc 0
6 mol 6 unq 5 iso 0 dist 6.46784 11.7058 8.85796 3.9416 9.07564 13.7747 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 5.11382 6.74888 5.65754 4.79206 7.7447 5.61248 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.56722 4.2863 7.7871 14.9575 9.2146 11.0435 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 5.78231 8.7845 8.70331 9.26879 8.78511 4.87576 numMergedOcc 0
10 mol 32 unq 1 iso 0 dist 9.41538 11.8855 8.70331 7.64485 8.78511 4.87576 numMergedOcc 0
11 mol 37 unq 0 iso 0 dist 6.32052 4.2096 4.07334 8.79311 9.59073 10.9062 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.63792 8.29882 5.91098 9.51274 9.57759 13.363 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 8.63792 9.77859 4.86523 9.51274 9.57759 7.37421 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 8.39335 6.59097 6.11101 13.8821 9.38837 7.35151 numMergedOcc 0
15 mol 78 unq 1 iso 0 dist 8.39335 6.59097 6.11101 6.6691 9.80913 4.76634 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 8.175 4.29937 8.08787 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.56288 4.75717 7.51319 9.3414 3.65628 10.4844 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.56288 4.75717 7.51319 14.8394 9.77774 16.4231 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 6.56288 15.811 9.43839 8.175 4.29937 11.053 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 6.56288 15.811 9.43839 9.3414 3.65628 7.97629 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 6.56288 15.811 9.43839 14.8394 9.77774 5.46713 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 numMergedOcc 0
23 mol 85 unq 7 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 numMergedOcc 0
24 mol 85 unq 8 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 numMergedOcc 0
25 mol 85 unq 9 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 numMergedOcc 0
26 mol 85 unq 10 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 numMergedOcc 0
27 mol 85 unq 11 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 numMergedOcc 0
28 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 5.41241 7.62463 6.55381 numMergedOcc 0
29 mol 95 unq 0 iso 0 dist 4.81841 9.66122 9.02905 3.84897 4.3439 8.32734 numMergedOcc 0
30 mol 95 unq 1 iso 0 dist 4.81841 9.66122 9.02905 5.78182 6.05855 4.79063 numMergedOcc 0
31 mol 157 unq 0 iso 0 dist 8.97914 6.72897 8.36016 6.17631 7.91458 5.332 numMergedOcc 0
32 mol 158 unq 0 iso 0 dist 8.24681 11.1698 9.27714 7.62254 6.77583 11.3047 numMergedOcc 0
33 mol 158 unq 1 iso 0 dist 6.51748 10.0941 9.27714 9.50276 6.77583 11.3047 numMergedOcc 0
34 mol 176 unq 0 iso 0 dist 8.5107 5.28982 8.8756 10.4037 9.9109 11.9346 numMergedOcc 0
35 mol 176 unq 1 iso 0 dist 8.90797 5.34777 8.8756 15.1544 9.9109 11.9346 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 8.22995 4.45769 5.39223 numMergedOcc 0
37 mol 194 unq 1 iso 0 dist 4.55528 12.1121 7.56217 12.3429 8.99961 7.15294 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 8.22995 5.89939 5.39223 numMergedOcc 0
39 mol 194 unq 3 iso 0 dist 4.42095 12.1121 9.81055 12.3429 8.18853 7.15294 numMergedOcc 0
40 mol 194 unq 4 iso 0 dist 6.88386 12.5858 7.56217 7.39897 4.45769 5.39223 numMergedOcc 0
41 mol 194 unq 5 iso 0 dist 6.88386 12.5858 7.56217 10.3177 8.99961 7.15294 numMergedOcc 0
42 mol 194 unq 6 iso 0 dist 4.63898 12.5858 9.81055 7.39897 5.89939 5.39223 numMergedOcc 0
43 mol 194 unq 7 iso 0 dist 4.63898 12.5858 9.81055 10.3177 8.18853 7.15294 numMergedOcc 0
44 mol 194 unq 8 iso 0 dist 9.53641 17.439 9.81055 15.1388 5.89939 5.39223 numMergedOcc 0
45 mol 194 unq 9 iso 0 dist 9.53641 17.439 9.81055 14.9856 8.18853 7.15294 numMergedOcc 0
46 mol 204 unq 0 iso 0 dist 9.98617 14.5106 9.26192 10.7662 7.98864 9.9686 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 5.2116 6.07355 9.09279 12.3685 9.81261 15.5357 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 5.28746 5.36882 6.48382 11.5675 8.20376 7.90149 numMergedOcc 0
49 mol 287 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 numMergedOcc 0
51 mol 289 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.15937 10.377 9.25289 6.49965 9.21469 14.8716 numMergedOcc 0
53 mol 292 unq 1 iso 0 dist 9.15937 14.8361 9.29687 6.49965 9.21469 14.3247 numMergedOcc 0
