0 mol 8 unq 0 iso 0 dist 8.23769 8.93161 8.33604 5.95206 6.26865 4.85329 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.62305 11.3937 9.77484 6.98319 8.11206 10.1814 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.62318 13.2245 8.68559 5.59084 7.18766 7.93694 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.62318 13.2245 8.68559 12.7989 7.48825 6.68431 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.55469 6.98188 6.40841 10.4148 8.80108 4.55117 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.55469 6.98188 6.40841 5.24617 6.50297 5.64209 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.55469 8.66876 7.58407 10.4148 8.80108 14.7581 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 9.55469 8.66876 7.58407 5.24617 6.50297 8.74789 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 9.55469 5.69963 6.31428 10.4148 8.80108 10.3782 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 9.55469 5.69963 6.31428 5.24617 6.50297 7.02095 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 5.99959 9.0406 6.40841 12.9126 8.80108 4.55117 numMergedOcc 0
11 mol 58 unq 7 iso 0 dist 5.99959 9.0406 6.40841 10.3955 6.50297 5.64209 numMergedOcc 0
12 mol 58 unq 8 iso 0 dist 5.99959 6.58144 7.58407 12.9126 8.80108 14.7581 numMergedOcc 0
13 mol 58 unq 9 iso 0 dist 5.99959 6.58144 7.58407 10.3955 6.50297 8.74789 numMergedOcc 0
14 mol 58 unq 10 iso 0 dist 5.99959 4.98107 6.31428 12.9126 8.80108 10.3782 numMergedOcc 0
15 mol 58 unq 11 iso 0 dist 5.99959 4.98107 6.31428 10.3955 6.50297 7.02095 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.41059 9.79245 7.76729 5.80406 7.99631 6.34759 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 6.41059 9.79245 7.76729 5.29313 6.40036 10.2377 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 6.53104 10.1501 7.64585 5.23522 6.40036 10.7942 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 9.89595 6.52984 6.27641 5.58352 6.90155 6.29785 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 9.1091 10.643 9.27478 6.82749 7.01496 6.62321 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 5.35423 7.87106 6.95408 8.98947 6.41318 7.11879 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 5.35423 6.11703 9.57538 8.98947 6.41318 8.89656 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 5.35423 6.8726 9.2285 8.98947 6.41318 7.8502 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 5.35423 6.80685 7.58278 8.98947 6.41318 7.82648 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 7.67499 11.1516 6.68292 6.32328 8.74171 11.1063 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 7.67499 11.1516 6.68292 7.32166 6.85195 4.93472 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.97261 11.886 8.96531 11.0807 6.65088 4.65297 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.97261 10.1821 7.02475 11.0807 6.65088 8.82861 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.3853 10.228 8.14172 6.74192 6.00721 5.68826 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 5.3853 5.88292 6.77463 6.74192 6.00721 4.87097 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.4619 10.3684 7.50578 6.52055 8.76313 11.5772 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 7.4619 10.3684 7.50578 9.62816 7.4363 7.44916 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 5.81774 12.3326 9.03492 8.27109 7.72845 6.46298 numMergedOcc 0
