0 mol 15 unq 0 iso 0 dist 4.27439 4.89563 5.63041 6.66625 10.7022 9.29358 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.68303 9.74289 13.0823 4.55484 8.18002 7.96497 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 6.76977 8.70094 5.2027 8.67697 7.14313 6.33365 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.2929 6.61066 6.07331 10.3807 12.1661 6.50039 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 6.17589 6.61066 7.09627 10.3807 11.3523 6.50039 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 4.85278 9.72828 8.40346 6.76195 7.33162 6.98095 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 7.23572 9.60878 5.72 6.06625 8.57818 7.01383 numMergedOcc 0
7 mol 228 unq 0 iso 0 dist 8.53297 9.46214 7.05573 5.86537 11.1595 7.94506 numMergedOcc 0
8 mol 228 unq 1 iso 0 dist 6.02491 9.51602 5.84747 5.55391 7.81837 7.65132 numMergedOcc 0
9 mol 228 unq 2 iso 0 dist 5.89577 9.46214 5.70777 5.86537 7.97746 7.94506 numMergedOcc 0
10 mol 228 unq 3 iso 0 dist 8.6694 9.51602 7.18261 5.55391 10.8283 7.65132 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 8.41604 9.39439 7.92104 6.99665 5.64376 9.43203 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 7.73969 6.0087 5.27568 9.3775 5.77356 7.17676 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 4.59056 9.24309 6.68463 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 9.91996 5.13633 10.8918 8.75221 14.6334 7.27505 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.27225 8.14812 4.6881 4.7348 6.73928 6.49982 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.60879 6.86014 7.44724 6.60083 12.4404 9.41725 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 6.60083 11.7564 9.41725 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 10.5543 11.7564 9.41725 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 4.86518 8.62414 4.7203 13.9754 10.9256 6.35287 numMergedOcc 0
