0 mol 21 unq 0 iso 0 dist 9.88089 7.88429 12.3419 6.29808 12.5889 7.08873 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 9.88089 7.88429 12.3419 7.46409 9.69416 10.6154 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 9.88089 7.88429 12.3419 8.99131 3.73539 9.29249 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 9.27407 9.10877 11.0971 9.43355 10.5249 10.8106 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 9.27407 9.10877 11.0971 5.64141 10.3971 7.14217 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 9.27407 9.10877 11.0971 5.46186 8.75661 12.9351 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.55581 8.94909 14.5299 7.33743 7.15161 15.0115 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.52211 9.23551 13.5764 8.73613 11.4204 5.59468 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 6.36857 6.32876 5.24644 7.96394 4.77779 6.18464 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 6.36857 6.32876 5.24644 8.01381 11.3698 7.03671 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 6.36857 9.25604 15.0873 7.96394 4.77779 14.3561 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 6.36857 9.25604 15.0873 8.01381 11.3698 9.53971 numMergedOcc 0
12 mol 156 unq 4 iso 0 dist 6.78431 6.32876 5.67338 7.96394 9.75616 6.18464 numMergedOcc 0
13 mol 156 unq 5 iso 0 dist 6.78431 6.32876 5.67338 8.01381 10.9946 7.03671 numMergedOcc 0
14 mol 156 unq 6 iso 0 dist 6.78431 9.25604 15.6293 7.96394 9.75616 14.3561 numMergedOcc 0
15 mol 156 unq 7 iso 0 dist 6.78431 9.25604 15.6293 8.01381 10.9946 9.53971 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 5.15834 9.09857 9.33911 5.82174 6.97027 3.74688 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.81978 7.94593 10.5343 8.03208 6.48113 5.00913 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 9.81978 7.94593 10.5343 8.70409 9.62436 5.42675 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.99149 9.50454 10.4974 9.19831 10.3569 4.61184 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.99149 7.15963 5.65167 9.19831 10.3569 9.83826 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.41494 8.84116 7.17142 9.22792 9.09562 12.9384 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.41494 8.84116 7.17142 7.85696 8.66219 9.34394 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 8.41494 8.84116 7.17142 5.00402 9.20585 9.61375 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 8.41494 8.84116 7.17142 6.17773 9.53136 6.03488 numMergedOcc 0
25 mol 186 unq 4 iso 0 dist 8.41494 8.16369 5.93294 9.22792 9.09562 13.6489 numMergedOcc 0
26 mol 186 unq 5 iso 0 dist 8.41494 8.16369 5.93294 7.85696 8.66219 12.4503 numMergedOcc 0
27 mol 186 unq 6 iso 0 dist 8.41494 8.16369 5.93294 5.00402 9.20585 11.5563 numMergedOcc 0
28 mol 186 unq 7 iso 0 dist 8.41494 8.16369 5.93294 6.17773 9.53136 10.3727 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.0526 9.23844 6.69964 8.15661 9.37536 5.53809 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 8.37114 7.40081 9.95325 8.79662 5.13817 10.0028 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 8.37114 7.40081 9.95325 6.6497 4.54609 5.77706 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.24896 6.15754 7.01488 6.39499 5.21309 5.53885 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 9.24896 8.9413 7.54044 6.39499 5.21309 3.95629 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 4.66398 8.18588 9.64766 6.2767 5.65355 11.1708 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 6.41279 4.89168 7.95216 9.49016 13.4828 5.71505 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 6.41279 4.89168 7.95216 8.92798 11.2928 4.81639 numMergedOcc 0
