0 mol 51 unq 0 iso 0 dist 7.7625 10.401 9.06397 5.8664 9.0709 12.8917 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 7.65229 11.4776 5.81552 5.43987 9.60462 10.626 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 7.65229 11.4776 5.81552 9.7695 7.45389 5.27363 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 9.0339 14.2364 6.2403 15.9368 7.7059 6.04014 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 9.0339 8.84157 6.495 15.9368 7.7059 10.0823 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 6.99089 12.6734 7.97208 10.1742 6.54501 12.5576 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.99089 12.6734 7.97208 12.6542 6.49416 9.52819 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 8.72463 12.8171 7.5984 14.0766 5.99315 5.11989 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 8.09861 5.6234 5.73338 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 7.04318 8.21784 6.73365 10.1323 9.92231 12.753 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.96824 13.2658 9.63295 8.76337 7.63312 12.5935 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.92766 3.96829 7.7292 14.0488 7.10633 13.4646 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 7.92766 3.96829 7.7292 7.58285 8.51516 9.54287 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.59262 5.2696 7.10166 4.38308 8.02137 5.15743 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.59262 5.2696 7.10166 13.472 9.774 13.609 numMergedOcc 0
15 mol 206 unq 2 iso 0 dist 8.59262 15.5823 9.66896 4.38308 8.02137 15.7773 numMergedOcc 0
16 mol 206 unq 3 iso 0 dist 8.59262 15.5823 9.66896 13.472 9.774 12.0196 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 7.19917 7.45619 8.07523 9.55205 6.18308 13.3929 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 7.19917 4.70332 7.56882 9.55205 6.18308 12.3088 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.3035 10.8341 9.4835 6.23589 8.82096 14.5108 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 6.83122 16.1937 9.40003 9.3424 9.65138 16.5528 numMergedOcc 0
21 mol 214 unq 2 iso 0 dist 6.83122 16.1937 9.40003 12.2622 7.14453 9.11345 numMergedOcc 0
22 mol 214 unq 3 iso 0 dist 6.83122 16.1937 9.40003 6.75833 8.85478 16.922 numMergedOcc 0
23 mol 214 unq 4 iso 0 dist 6.83122 4.16332 8.68385 9.3424 9.65138 10.2443 numMergedOcc 0
24 mol 214 unq 5 iso 0 dist 6.83122 4.16332 8.68385 12.2622 7.14453 12.5421 numMergedOcc 0
25 mol 214 unq 6 iso 0 dist 6.83122 4.16332 8.68385 6.75833 8.85478 9.18071 numMergedOcc 0
26 mol 214 unq 7 iso 0 dist 9.01896 9.47512 9.4835 7.3913 8.82096 14.5108 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.69537 9.41461 7.04127 5.92906 9.40098 11.7724 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 7.69537 9.41461 7.04127 5.41675 6.61986 4.55824 numMergedOcc 0
29 mol 231 unq 0 iso 0 dist 8.17766 6.17101 9.98232 11.3675 7.37839 10.9863 numMergedOcc 0
30 mol 231 unq 1 iso 0 dist 8.17766 6.17101 9.98232 12.5238 8.40182 10.2117 numMergedOcc 0
31 mol 231 unq 2 iso 0 dist 9.84965 14.1831 9.98232 14.0116 7.37839 10.9863 numMergedOcc 0
32 mol 231 unq 3 iso 0 dist 9.84965 14.1831 9.98232 16.7305 8.40182 10.2117 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 8.49673 11.2835 9.26156 6.10412 7.00034 7.10801 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 8.62971 7.14491 6.40592 4.99503 7.4631 7.93809 numMergedOcc 0
35 mol 253 unq 0 iso 0 dist 5.76077 9.07394 8.53729 9.0081 9.02271 16.1265 numMergedOcc 0
36 mol 253 unq 1 iso 0 dist 5.76077 11.6981 8.07341 9.0081 9.02271 16.581 numMergedOcc 0
37 mol 253 unq 2 iso 0 dist 7.0247 14.7046 8.53729 10.9027 9.02271 16.1265 numMergedOcc 0
38 mol 253 unq 3 iso 0 dist 7.0247 12.0836 8.07341 10.9027 9.02271 16.581 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 6.49599 6.96133 6.96379 14.1932 8.13497 10.908 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 6.49599 6.96133 6.96379 13.8605 7.88519 12.7595 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 7.7309 11.0146 9.43169 9.29412 6.05727 6.5875 numMergedOcc 0
42 mol 265 unq 0 iso 0 dist 4.96568 11.7587 7.54805 5.25115 8.4218 12.5953 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 7.22438 10.4121 4.78812 10.3544 8.33638 5.27123 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 7.66615 10.4121 6.62923 11.4664 9.97651 11.9042 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 7.66615 10.4121 6.62923 10.3544 8.46116 5.27123 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 8.27977 8.89193 5.17586 13.1217 9.70696 5.9229 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 7.70229 5.64349 6.84554 8.93697 8.76532 9.67023 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 7.90792 5.64349 9.51581 8.93697 6.33524 9.67023 numMergedOcc 0
