0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 3.52338 7.78327 10.1033 13.5229 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 3.30063 7.98005 4.28862 12.5438 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 8.44515 8.31381 4.93643 8.39015 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.7522 8.25891 8.37225 15.0931 8.34347 8.70636 3.30063 7.98005 5.34503 12.5438 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.7522 8.25891 8.37225 15.0931 8.34347 8.70636 8.44515 8.31381 4.74002 8.39015 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.10899 5.70643 7.78892 10.8741 9.24927 13.4993 12.1168 9.99939 9.30664 19.1023 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 4.15592 9.02471 3.83842 12.6657 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 4.15592 9.02471 3.83842 14.0654 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.00229 12.9552 9.75265 10.1484 8.95999 5.03467 4.82623 8.30217 10.4919 9.65136 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 12.1387 8.04242 4.21164 5.76272 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 12.1387 8.04242 4.21164 8.18948 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 12.1387 8.04242 4.21164 14.113 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 6.78949 4.24711 8.75778 7.54208 8.37808 9.00329 6.80573 4.42563 6.39355 7.90729 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 9.40018 13.7131 8.75778 11.0216 8.37808 9.00329 12.9961 4.42563 6.39355 7.90729 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 14.5776 8.54584 15.4586 3.54691 7.97548 6.61102 12.5321 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 9.28278 4.74644 8.00624 14.5776 8.54584 15.4586 5.56761 9.64164 9.0678 11.3755 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 12.8334 9.00072 15.2106 12.2243 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 12.8334 9.00072 15.2106 4.73288 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 12.8334 9.00072 15.2106 4.70284 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 5.09728 5.36671 11.1876 12.8624 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 12.9317 4.51255 3.98316 7.83734 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 10.8126 4.51255 3.98316 7.83734 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.73983 5.96176 7.00833 4.49913 8.45658 6.75336 10.4014 8.24356 4.80385 11.4108 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 10.8075 9.7748 7.94155 7.31817 4.9764 9.21484 11.8607 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 9.29635 12.5633 4.81916 10.8075 9.7748 7.94155 3.91224 6.36559 10.3506 10.9137 numMergedOcc 0
