0 mol 1 unq 0 iso 0 dist 9.19543 7.16224 7.64327 4.86523 9.40771 7.28542 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 5.65377 6.53932 5.31968 4.24935 8.66089 7.87697 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 5.65377 6.53932 5.31968 7.00849 6.9181 5.9112 numMergedOcc 0
3 mol 33 unq 2 iso 0 dist 5.65377 6.53932 5.31968 9.8286 5.84349 6.23577 numMergedOcc 0
4 mol 33 unq 3 iso 0 dist 5.65377 11.3882 9.86405 4.24935 8.66089 11.6849 numMergedOcc 0
5 mol 33 unq 4 iso 0 dist 5.65377 11.3882 9.86405 7.00849 6.9181 8.70148 numMergedOcc 0
6 mol 33 unq 5 iso 0 dist 5.65377 11.3882 9.86405 9.8286 5.84349 8.05395 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.22911 6.31644 9.26043 10.4416 6.6473 11.8657 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 6.22911 12.4671 7.72123 10.4416 6.6473 5.38541 numMergedOcc 0
9 mol 53 unq 2 iso 0 dist 6.76484 11.6996 9.26043 9.05584 6.6473 11.8657 numMergedOcc 0
10 mol 53 unq 3 iso 0 dist 6.76484 8.86683 7.72123 9.05584 6.6473 5.38541 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.24862 6.32628 6.27877 10.6271 6.24296 8.08787 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.24862 6.32628 6.27877 13.7977 6.83218 10.4844 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 9.19143 10.9008 8.01351 5.92311 6.64714 5.09341 numMergedOcc 0
14 mol 91 unq 1 iso 0 dist 9.19143 9.6451 8.98201 5.92311 6.64714 12.2247 numMergedOcc 0
15 mol 91 unq 2 iso 0 dist 9.19143 5.76563 6.4026 5.92311 6.64714 7.1967 numMergedOcc 0
16 mol 91 unq 3 iso 0 dist 9.23907 14.1047 8.01351 10.4112 6.64714 5.09341 numMergedOcc 0
17 mol 91 unq 4 iso 0 dist 9.23907 7.54043 8.98201 10.4112 6.64714 12.2247 numMergedOcc 0
18 mol 91 unq 5 iso 0 dist 9.23907 8.05785 6.4026 10.4112 6.64714 7.1967 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.50914 10.2344 9.66109 9.64488 7.96394 13.7829 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.50914 10.2344 9.66109 3.91103 8.01381 6.38671 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 6.72322 16.017 9.94593 3.96267 6.68721 16.3211 numMergedOcc 0
22 mol 158 unq 1 iso 0 dist 6.72322 7.16561 9.49329 3.96267 6.68721 4.87865 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 5.76109 10.8093 8.73423 7.12863 8.73525 5.9546 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 6.92465 10.7324 8.63323 7.21329 8.22129 12.9179 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 6.25295 5.10052 9.79758 7.12222 9.90216 6.46777 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 9.24924 12.7769 9.16563 7.95433 8.106 5.28913 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 9.72248 10.8956 9.16563 7.04425 8.106 5.28913 numMergedOcc 0
