0 mol 9 unq 0 iso 0 dist 8.69493 5.54438 8.55446 6.57322 6.59455 6.04312 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.69493 6.57322 6.59455 5.54438 8.55446 6.04312 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.69493 5.54438 8.55446 7.5263 5.71201 10.2644 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.69493 7.5263 5.71201 5.54438 8.55446 10.2644 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.69493 6.57322 6.59455 7.5263 5.71201 6.17866 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.69493 7.5263 5.71201 6.57322 6.59455 6.17866 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.02963 9.91187 8.55446 9.06833 6.59455 6.04312 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 7.02963 9.06833 6.59455 9.91187 8.55446 6.04312 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 7.02963 9.91187 8.55446 5.38864 5.71201 10.2644 numMergedOcc 0
9 mol 9 unq 3 iso 1 dist 7.02963 5.38864 5.71201 9.91187 8.55446 10.2644 numMergedOcc 0
10 mol 9 unq 3 iso 0 dist 7.02963 9.06833 6.59455 5.38864 5.71201 6.17866 numMergedOcc 0
11 mol 9 unq 3 iso 1 dist 7.02963 5.38864 5.71201 9.06833 6.59455 6.17866 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 5.78238 12.1924 9.69752 14.9821 9.36461 10.2653 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 5.78238 14.9821 9.36461 12.1924 9.69752 10.2653 numMergedOcc 0
14 mol 34 unq 0 iso 0 dist 4.75558 9.05396 6.15801 9.98702 9.63403 6.47508 numMergedOcc 0
15 mol 34 unq 0 iso 1 dist 4.75558 9.98702 9.63403 9.05396 6.15801 6.47508 numMergedOcc 0
16 mol 34 unq 1 iso 0 dist 4.75558 9.05396 6.15801 4.78533 8.07314 9.89387 numMergedOcc 0
17 mol 34 unq 1 iso 1 dist 4.75558 4.78533 8.07314 9.05396 6.15801 9.89387 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 4.75558 9.98702 9.63403 4.78533 8.07314 10.4405 numMergedOcc 0
19 mol 34 unq 1 iso 1 dist 4.75558 4.78533 8.07314 9.98702 9.63403 10.4405 numMergedOcc 0
20 mol 44 unq 0 iso 0 dist 8.6578 6.30672 7.03307 10.7753 7.25707 5.25016 numMergedOcc 0
21 mol 44 unq 0 iso 1 dist 8.6578 10.7753 7.25707 6.30672 7.03307 5.25016 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 8.8359 4.43093 5.94233 10.6362 8.56219 6.71205 numMergedOcc 0
23 mol 126 unq 0 iso 1 dist 8.8359 10.6362 8.56219 4.43093 5.94233 6.71205 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 7.5344 11.4585 8.92828 6.14427 5.56627 5.37172 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 7.5344 6.14427 5.56627 11.4585 8.92828 5.37172 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 6.80457 5.14857 9.40325 5.26692 7.62606 6.35752 numMergedOcc 0
27 mol 135 unq 0 iso 1 dist 6.80457 5.26692 7.62606 5.14857 9.40325 6.35752 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 5.32236 5.86269 8.05247 10.5222 9.71028 6.91059 numMergedOcc 0
29 mol 175 unq 0 iso 1 dist 5.32236 10.5222 9.71028 5.86269 8.05247 6.91059 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 8.53457 11.3555 5.57779 4.94588 7.05649 7.33239 numMergedOcc 0
31 mol 210 unq 0 iso 1 dist 8.53457 4.94588 7.05649 11.3555 5.57779 7.33239 numMergedOcc 0
32 mol 210 unq 1 iso 0 dist 8.53457 11.3555 5.57779 6.61563 6.78579 8.67862 numMergedOcc 0
33 mol 210 unq 1 iso 1 dist 8.53457 6.61563 6.78579 11.3555 5.57779 8.67862 numMergedOcc 0
34 mol 210 unq 1 iso 0 dist 8.53457 4.94588 7.05649 6.61563 6.78579 5.72053 numMergedOcc 0
35 mol 210 unq 1 iso 1 dist 8.53457 6.61563 6.78579 4.94588 7.05649 5.72053 numMergedOcc 0
36 mol 226 unq 0 iso 0 dist 5.01717 7.93097 6.26945 4.87605 6.37744 9.75764 numMergedOcc 0
37 mol 226 unq 0 iso 1 dist 5.01717 4.87605 6.37744 7.93097 6.26945 9.75764 numMergedOcc 0
38 mol 230 unq 0 iso 0 dist 8.02209 10.4085 8.34416 5.50843 6.34832 5.10781 numMergedOcc 0
39 mol 230 unq 0 iso 1 dist 8.02209 5.50843 6.34832 10.4085 8.34416 5.10781 numMergedOcc 0
40 mol 237 unq 0 iso 0 dist 9.82325 8.50643 5.6703 13.9178 8.72819 6.08027 numMergedOcc 0
41 mol 237 unq 0 iso 1 dist 9.82325 13.9178 8.72819 8.50643 5.6703 6.08027 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 9.72264 5.04943 8.53065 15.7367 8.67489 12.6015 numMergedOcc 0
43 mol 282 unq 0 iso 1 dist 9.72264 15.7367 8.67489 5.04943 8.53065 12.6015 numMergedOcc 0
