0 mol 15 unq 0 iso 0 dist 5.94245 5.72359 5.33641 4.21233 6.31608 5.7147 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.01238 6.84751 5.39199 11.3323 9.11311 13.5854 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.04111 9.77648 11.1059 4.2957 9.06469 9.4053 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.9297 8.52697 3.99035 8.47393 6.86517 9.04293 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 6.9297 9.66612 5.45824 8.47393 6.86517 12.0019 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 5.45873 8.72835 12.99 10.0233 9.97813 16.4875 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 6.70158 9.43355 14.433 3.99275 7.48947 8.28591 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 6.70158 5.64141 9.54244 3.99275 7.48947 5.35008 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 6.70158 5.46186 9.86691 3.99275 7.48947 8.30921 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 6.45174 5.93561 7.14708 8.58563 5.54226 11.905 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.45174 5.33967 9.91505 8.58563 5.54226 12.7274 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 7.36361 6.49766 10.9073 5.85997 9.42762 10.3616 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 7.36361 6.49766 10.9073 3.61945 7.30244 4.14492 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.77211 9.22792 8.65911 8.73397 8.2241 14.2971 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 7.77211 7.85696 5.48935 8.73397 8.2241 12.7275 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 7.77211 5.00402 3.87082 8.73397 8.2241 9.4366 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 7.77211 6.17773 5.94181 8.73397 8.2241 10.6418 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 5.62193 9.1946 6.47745 5.36106 9.32971 13.4372 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 6.35591 8.88095 3.80663 7.72714 8.25623 10.2657 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 6.35591 8.88095 3.80663 6.15282 8.77098 8.62266 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 6.35591 8.88095 3.80663 3.75969 9.78784 12.6089 numMergedOcc 0
