0 mol 26 unq 0 iso 0 dist 7.89667 5.3315 8.31381 11.0942 4.93643 9.80897 6.88695 8.39015 8.34347 12.8257 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.89667 5.3315 8.31381 10.3023 4.74002 8.37225 6.88695 8.39015 8.34347 8.70636 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 9.34184 9.30664 7.78892 13.8432 19.1023 9.24927 13.4993 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 4.90216 10.9658 8.30217 15.3294 10.4919 9.75265 14.2274 9.65136 8.95999 5.03467 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.4515 12.4903 9.10566 11.5026 4.40015 9.41049 10.7935 3.85805 5.93252 4.60412 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.9602 4.21164 9.67557 11.847 5.76272 7.95579 6.53819 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.86038 5.8457 8.04242 12.9602 4.21164 9.67557 9.89682 8.18948 6.19965 9.9705 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.86038 5.8457 8.04242 12.9602 4.21164 9.67557 11.3695 14.113 7.66905 15.3279 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 12.5418 6.39355 8.75778 9.69426 7.90729 8.37808 9.00329 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 6.65878 6.61102 8.00624 13.5311 12.5321 8.54584 15.4586 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 8.95296 6.32863 5.36671 8.39087 11.1876 9.23645 12.2455 12.8624 9.87651 6.45463 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 6.10021 5.48405 5.36671 13.0903 11.1876 9.23645 15.1956 12.8624 9.87651 6.45463 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 9.85777 10.5366 6.94789 13.2057 10.8636 9.61492 6.98812 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.93485 4.2475 9.31158 9.85777 10.5366 6.94789 6.752 5.42503 7.45763 12.019 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.93485 4.2475 9.31158 5.05912 9.27501 6.23932 13.2057 10.8636 9.61492 13.4557 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 8.93485 4.2475 9.31158 5.05912 9.27501 6.23932 6.752 5.42503 7.45763 4.37383 numMergedOcc 0
16 mol 205 unq 4 iso 0 dist 5.66636 6.8901 9.31158 10.4571 10.5366 6.94789 13.3164 10.8636 9.61492 6.98812 numMergedOcc 0
17 mol 205 unq 5 iso 0 dist 5.66636 6.8901 9.31158 10.4571 10.5366 6.94789 5.4913 5.42503 7.45763 12.019 numMergedOcc 0
18 mol 205 unq 6 iso 0 dist 5.66636 6.8901 9.31158 6.60429 9.27501 6.23932 13.3164 10.8636 9.61492 13.4557 numMergedOcc 0
19 mol 205 unq 7 iso 0 dist 5.66636 6.8901 9.31158 6.60429 9.27501 6.23932 5.4913 5.42503 7.45763 4.37383 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 5.70065 6.59517 6.13878 8.62103 4.29623 6.18308 5.4508 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 13.7186 10.8478 8.82388 9.1566 5.85692 7.32223 5.32928 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 8.71119 11.8779 9.19385 13.7186 10.8478 8.82388 14.0212 6.0222 8.31064 9.65021 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 18.1887 11.3756 7.69358 12.8506 4.02333 6.97229 9.80642 numMergedOcc 0
