0 mol 13 unq 0 iso 0 dist 7.71544 5.4424 9.24347 4.43066 6.54276 3.53348 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.47718 9.98353 14.0277 8.55202 5.91159 10.3583 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.53794 6.02034 10.2267 7.32064 16.4946 8.76068 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.53794 6.02034 10.2267 5.24136 14.0662 6.05023 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.53794 6.02034 10.2267 6.44687 10.1424 5.10057 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.53794 6.02034 10.2267 5.85007 13.583 11.6562 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.84346 6.02034 11.4479 7.32064 13.8703 8.76068 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.84346 6.02034 11.4479 5.24136 13.4395 6.05023 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 9.84346 6.02034 11.4479 6.44687 14.488 5.10057 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 9.84346 6.02034 11.4479 5.85007 11.9719 11.6562 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 9.46472 6.77808 11.4479 4.62314 13.8703 8.76068 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 9.46472 6.77808 11.4479 4.41745 13.4395 6.05023 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 9.46472 6.77808 11.4479 6.35234 11.9719 11.6562 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 7.74131 8.71103 9.0655 8.59739 3.80156 6.2804 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 7.97999 7.80113 6.35468 7.84642 3.72263 7.46457 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 9.57953 9.81273 15.362 4.49975 11.9103 7.07978 numMergedOcc 0
16 mol 103 unq 1 iso 0 dist 9.57953 6.67575 5.42278 4.49975 11.9103 7.93499 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.84249 6.30128 9.10324 4.77996 3.78964 5.96497 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.72434 8.39253 10.4071 5.90003 11.4056 4.80926 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 9.0455 8.63018 4.99299 8.09774 9.05571 4.79473 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.64946 5.68599 5.80658 9.76097 3.75291 6.95933 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 9.80584 7.252 16.1821 7.93715 9.82173 12.8252 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 7.95713 7.252 12.9121 7.93715 9.52963 12.8252 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 8.97651 9.0153 10.3135 9.48766 8.34322 4.65091 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 8.86439 7.42783 7.36756 8.76076 12.519 6.08875 numMergedOcc 0
25 mol 196 unq 1 iso 0 dist 8.86439 7.42783 7.36756 4.36496 6.6569 5.22098 numMergedOcc 0
26 mol 196 unq 2 iso 0 dist 8.86439 7.42783 7.36756 7.34995 5.29359 10.3324 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 7.13496 9.52151 14.8716 9.74779 12.6546 5.05436 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 7.13496 8.62654 6.78678 9.74779 12.6546 15.7107 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 8.56975 3.68226 12.4194 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 7.14598 9.71499 9.74403 7.23526 10.6382 4.85236 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 4.95855 6.09466 10.2743 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.30455 7.97113 4.77489 7.72489 7.9016 11.46 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 5.30455 5.22111 4.59239 4.95855 6.09466 7.06301 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 5.30455 5.22111 4.59239 7.72489 7.9016 7.80863 numMergedOcc 0
35 mol 259 unq 4 iso 0 dist 7.34794 7.97113 7.10624 4.95855 5.49348 10.2743 numMergedOcc 0
36 mol 259 unq 5 iso 0 dist 7.34794 7.97113 7.10624 7.72489 5.13138 11.46 numMergedOcc 0
37 mol 259 unq 6 iso 0 dist 7.34794 5.22111 5.09929 4.95855 5.49348 7.06301 numMergedOcc 0
38 mol 259 unq 7 iso 0 dist 7.34794 5.22111 5.09929 7.72489 5.13138 7.80863 numMergedOcc 0
39 mol 278 unq 0 iso 0 dist 9.60643 6.97456 9.0771 9.54428 3.96363 10.3886 numMergedOcc 0
40 mol 278 unq 1 iso 0 dist 7.79408 6.97456 4.47399 9.54428 8.26501 10.3886 numMergedOcc 0
41 mol 283 unq 0 iso 0 dist 8.36393 7.90132 12.3631 8.4275 3.77125 12.1132 numMergedOcc 0
42 mol 283 unq 1 iso 0 dist 8.36393 8.80418 10.147 7.81241 5.14231 10.5903 numMergedOcc 0
43 mol 283 unq 2 iso 0 dist 8.36393 8.80418 10.147 9.52445 4.25884 9.41544 numMergedOcc 0
