0 mol 20 unq 0 iso 0 dist 9.62492 8.67226 8.13992 6.68339 9.35248 9.55415 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.67226 9.62492 8.13992 6.68339 9.55415 9.35248 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.30547 6.46901 6.97513 5.99558 9.98353 10.9314 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.31349 7.61666 4.14953 8.90344 7.16614 9.35188 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 7.61666 9.31349 4.14953 8.90344 9.35188 7.16614 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.03407 6.39759 4.13723 5.38868 6.78043 5.74364 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.39759 8.03407 4.13723 5.38868 5.74364 6.78043 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.39759 8.03407 4.13723 5.80362 8.60026 11.6391 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 4.9418 9.71805 8.6162 13.0375 9.81273 14.8719 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 4.9418 9.71805 8.6162 10.7167 6.67575 14.1109 numMergedOcc 0
10 mol 103 unq 2 iso 0 dist 4.9418 5.7953 7.44304 13.0375 9.81273 17.1682 numMergedOcc 0
11 mol 103 unq 3 iso 0 dist 4.9418 5.7953 7.44304 10.7167 6.67575 12.2142 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 5.93206 7.73529 6.14668 5.20171 7.66832 8.11083 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 7.73529 5.93206 6.14668 5.20171 8.11083 7.66832 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.30054 6.9952 9.9673 5.65391 9.36704 11.6519 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 5.32517 7.6275 3.57533 6.01778 5.4772 7.84607 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 5.32517 7.4738 10.0842 6.01778 5.4772 13.2451 numMergedOcc 0
17 mol 128 unq 2 iso 0 dist 5.32517 8.88867 11.7069 6.01778 5.4772 13.1527 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 5.32517 7.04282 8.45681 6.01778 5.4772 11.2168 numMergedOcc 0
19 mol 128 unq 4 iso 0 dist 7.6275 5.32517 3.57533 6.01778 7.84607 5.4772 numMergedOcc 0
20 mol 128 unq 5 iso 0 dist 7.6275 7.4738 11.283 6.01778 7.84607 13.2451 numMergedOcc 0
21 mol 128 unq 6 iso 0 dist 7.6275 8.88867 11.0489 6.01778 7.84607 13.1527 numMergedOcc 0
22 mol 128 unq 7 iso 0 dist 7.6275 7.04282 7.50392 6.01778 7.84607 11.2168 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.47476 6.74947 15.1471 11.948 6.32669 17.7927 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.32064 5.29176 3.78668 5.03242 7.19213 5.67196 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 5.29176 6.32064 3.78668 5.03242 5.67196 7.19213 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.48967 6.91126 13.6805 10.2941 6.44932 14.4541 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 8.79625 9.9609 17.5663 5.49004 6.83278 14.6962 numMergedOcc 0
