0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 9.34656 7.92429 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 6.3236 6.1206 6.16125 4.40641 7.31201 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.75465 6.3236 6.1206 9.34656 7.92429 9.36807 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.00249 6.3236 7.67927 6.16125 5.03278 7.31201 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.00249 6.3236 7.67927 9.34656 11.2233 9.36807 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 7.5136 6.5268 5.93898 4.82549 4.28381 6.08338 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 15.051 6.40102 9.02278 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 15.4921 9.13361 8.66155 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 8.54304 5.98221 6.24825 5.43229 5.78043 7.76729 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 10.1727 6.95589 6.62561 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.33147 4.59843 8.97589 7.09847 9.68365 9.52936 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 8.09403 4.59843 5.96423 7.09847 11.6883 9.52936 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 8.01604 10.0103 7.88013 13.1102 6.39872 6.90541 numMergedOcc 0
13 mol 188 unq 1 iso 0 dist 7.03264 7.94258 7.88013 11.3816 6.39872 6.90541 numMergedOcc 0
14 mol 188 unq 2 iso 0 dist 9.07006 10.0103 9.90062 13.1102 8.81694 6.90541 numMergedOcc 0
15 mol 188 unq 3 iso 0 dist 6.32826 7.94258 9.90062 11.3816 8.81694 6.90541 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 18.0658 13.4094 9.19704 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.04327 7.18317 8.21793 4.80429 4.31175 6.0965 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 8.04327 7.18317 8.21793 6.38872 4.89372 9.59129 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.71199 4.8419 8.2123 5.13604 4.42755 7.61951 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 18.287 11.8229 9.5707 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.73257 14.9272 7.81215 19.1665 10.5304 7.85175 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 9.73257 6.44395 5.64285 14.7527 6.45373 9.39181 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 11.4937 7.34601 6.98084 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 6.92276 6.83244 5.70635 11.4937 7.34601 7.32211 numMergedOcc 0
25 mol 235 unq 2 iso 0 dist 8.75776 11.041 6.29377 14.3076 7.34601 6.98084 numMergedOcc 0
26 mol 235 unq 3 iso 0 dist 8.75776 7.64039 5.70635 14.3076 7.34601 7.32211 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.3672 6.33281 8.82351 10.6247 5.99163 9.68513 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.3672 6.33281 8.82351 6.19297 4.40419 5.9216 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 8.51613 6.15778 6.59244 13.2788 6.0473 8.80086 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 8.8896 15.0646 6.50589 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.64703 7.62102 6.4611 8.8896 5.70568 6.50589 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.88009 9.57081 8.9682 17.2138 18.3854 9.41725 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 5.80061 9.57081 6.92711 17.2138 16.1088 9.41725 numMergedOcc 0
