0 mol 33 unq 0 iso 0 dist 5.65377 4.24935 8.66089 6.82054 4.41045 7.49744 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 7.00849 6.9181 6.82054 4.41045 3.22951 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 5.65377 9.8286 5.84349 6.82054 4.41045 3.60218 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 7.71862 4.43101 7.0427 3.80878 8.4902 7.98596 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.24862 10.6271 6.24296 9.56334 8.15861 3.65186 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.24862 10.6271 6.24296 11.5742 9.27814 14.6387 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.24862 13.7977 6.83218 9.56334 8.15861 7.00044 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 9.24862 13.7977 6.83218 11.5742 9.27814 15.2529 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 9.19143 5.92311 6.64714 9.65792 7.09177 9.60912 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 9.23907 10.4112 6.64714 11.3286 7.09177 9.60912 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.76517 16.5528 9.43355 12.542 8.61597 13.6138 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.76517 11.6928 5.64141 12.542 8.61597 12.3588 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.76517 8.79773 5.46186 12.542 8.61597 4.98621 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.61215 14.2421 6.49766 8.3346 8.09682 8.42496 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 9.61215 14.2421 6.49766 10.1291 8.35926 10.3919 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 9.61215 14.2421 6.49766 14.6702 7.41568 3.3389 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 7.78927 5.61367 8.51753 4.15636 8.97914 4.69348 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 6.72322 3.96267 6.68721 10.7405 6.51748 11.6769 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.56189 7.91466 5.82174 5.04699 9.31914 8.19035 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 5.76109 7.12863 8.73525 8.06206 9.38235 10.833 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 5.76109 7.12863 8.73525 8.81255 8.95509 4.66758 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.24924 7.95433 8.106 8.2722 7.17276 3.12129 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 9.72248 7.04425 8.106 5.93642 7.17276 3.12129 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.80478 5.96447 9.98518 15.9206 8.15636 16.9188 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.80478 5.96447 9.98518 14.0034 7.86292 12.935 numMergedOcc 0
25 mol 287 unq 2 iso 0 dist 9.22409 16.1319 9.98518 5.19316 8.15636 16.9188 numMergedOcc 0
26 mol 287 unq 3 iso 0 dist 9.22409 16.1319 9.98518 3.59476 7.86292 12.935 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.80478 5.96447 9.98518 15.9206 8.15636 16.9188 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.80478 5.96447 9.98518 14.0034 7.86292 12.935 numMergedOcc 0
29 mol 288 unq 2 iso 0 dist 9.22409 16.1319 9.98518 5.19316 8.15636 16.9188 numMergedOcc 0
30 mol 288 unq 3 iso 0 dist 9.22409 16.1319 9.98518 3.59476 7.86292 12.935 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.80478 5.96447 9.98518 15.9206 8.15636 16.9188 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 7.80478 5.96447 9.98518 14.0034 7.86292 12.935 numMergedOcc 0
33 mol 289 unq 2 iso 0 dist 9.22409 16.1319 9.98518 5.19316 8.15636 16.9188 numMergedOcc 0
34 mol 289 unq 3 iso 0 dist 9.22409 16.1319 9.98518 3.59476 7.86292 12.935 numMergedOcc 0
