0 mol 25 unq 0 iso 0 dist 9.07927 8.69224 7.23535 12.3669 9.87281 11.3003 6.44262 7.31767 7.03372 6.17631 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 8.69224 9.92243 12.3669 7.63928 11.3003 6.44262 6.03987 7.03372 6.17631 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 9.02073 9.76892 3.88133 7.52103 11.774 9.46304 6.72123 14.4149 6.16737 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.46313 9.02073 9.76892 12.1397 8.46556 17.5952 9.46304 6.72123 14.4149 4.90701 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.36475 5.61831 3.69293 5.94401 6.4551 6.46582 5.66392 6.97941 7.61521 8.78063 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.42893 9.26699 7.89838 4.58154 5.22543 10.7133 5.81947 6.57035 9.23765 4.50603 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.41521 8.31527 5.61274 9.0362 7.04864 11.0505 11.2541 8.75408 12.0528 4.5543 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.41521 8.31527 5.61274 9.0362 7.04864 11.0505 8.90504 6.44653 7.53694 6.81949 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.41521 7.64841 3.35803 9.0362 7.04864 8.03124 11.2541 8.75408 10.8176 4.5543 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 9.41521 7.64841 3.35803 9.0362 7.04864 8.03124 8.90504 6.44653 8.38358 6.81949 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.06272 5.5917 10.3933 4.02665 6.38163 7.04904 8.2292 9.61051 13.1959 8.61575 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.06272 5.5917 10.3933 4.02665 6.38163 7.04904 10.7142 5.83384 12.0878 10.0961 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 9.06272 5.24806 9.27274 4.02665 6.38163 5.06053 8.2292 9.61051 12.7909 8.61575 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 9.06272 5.24806 9.27274 4.02665 6.38163 5.06053 10.7142 5.83384 12.4085 10.0961 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.44766 9.77654 3.84862 11.2112 7.81337 9.46108 7.69184 6.85062 9.71707 11.4498 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.07968 9.54857 4.86965 6.85536 7.16386 9.19289 4.58603 9.41367 13.3238 9.02283 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.07968 8.73456 3.7812 6.85536 7.16386 8.60252 4.58603 9.41367 13.0785 9.02283 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.14351 5.3865 10.3504 8.05633 6.37672 12.1989 12.1004 7.57994 14.0808 9.07501 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 9.14351 5.3865 10.3504 8.05633 6.37672 12.1989 9.40115 6.18582 12.9043 4.24014 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 9.14351 5.3865 10.3504 6.09778 8.94023 11.121 12.1004 7.57994 14.0808 9.53929 numMergedOcc 0
20 mol 249 unq 3 iso 0 dist 9.14351 5.3865 10.3504 6.09778 8.94023 11.121 9.40115 6.18582 12.9043 5.36989 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.86014 7.34927 7.75371 11.7966 9.29635 5.11998 4.83355 9.7748 5.69112 10.8075 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 5.97073 7.54315 7.75371 7.00586 9.29635 5.11998 11.2857 9.7748 5.69112 10.8075 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 6.87804 7.61675 9.12345 12.1872 9.20416 17.7265 11.634 8.2734 15.8745 5.26243 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 6.87804 7.61675 9.12345 12.2904 7.53641 13.5939 11.634 8.2734 15.8745 5.58251 numMergedOcc 0
25 mol 292 unq 2 iso 0 dist 6.07571 4.97488 7.22011 11.4534 9.20416 15.2035 8.66797 8.2734 13.0682 5.26243 numMergedOcc 0
26 mol 292 unq 3 iso 0 dist 6.07571 4.97488 7.22011 4.49811 7.53641 9.01115 8.66797 8.2734 13.0682 5.58251 numMergedOcc 0
