0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 6.11915 6.14469 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.02892 7.39982 9.68596 6.11915 6.14469 5.03847 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 6.60096 8.56399 9.78331 5.01551 7.25951 5.67637 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 6.60096 8.56399 9.78331 8.27744 7.92012 4.03817 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.42925 6.07691 9.6782 6.30672 7.48846 4.55437 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 14.2744 9.17082 4.24786 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 5.23492 8.87464 6.29906 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 15.4219 9.66222 10.4987 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 11.3708 7.14031 11.3905 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 11.3708 7.14031 14.2646 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 11.3708 7.14031 4.67519 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 4.94406 7.53156 7.5242 11.3708 7.14031 10.4027 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 7.43547 7.14031 11.3905 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 7.43547 7.14031 14.2646 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 7.2337 5.39087 5.59328 7.43547 7.14031 4.67519 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 7.2337 12.2431 7.5242 7.43547 7.14031 10.4027 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 12.6358 9.5057 5.42531 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 9.1593 12.3004 7.80975 7.74959 5.75014 4.86592 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 9.1593 10.9755 7.10378 12.6358 9.5057 8.4128 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 9.1593 10.9755 7.10378 7.74959 5.75014 7.96533 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 9.2657 9.67381 9.08382 12.5885 6.33431 6.40824 numMergedOcc 0
21 mol 125 unq 1 iso 0 dist 9.2657 9.19339 9.3778 12.5885 6.33431 9.20086 numMergedOcc 0
22 mol 125 unq 2 iso 0 dist 9.2657 6.92879 7.47069 12.5885 6.33431 9.44075 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 4.68204 9.73158 10.7293 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 9.09658 7.59327 7.29399 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 7.20376 9.10042 9.74444 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 8.35864 10.4653 9.97343 10.1764 9.75059 6.91919 numMergedOcc 0
27 mol 141 unq 2 iso 0 dist 8.35864 10.4653 9.97343 14.3045 6.83404 10.1432 numMergedOcc 0
28 mol 141 unq 3 iso 0 dist 8.35864 15.1845 9.70413 7.20376 9.10042 10.3716 numMergedOcc 0
29 mol 141 unq 4 iso 0 dist 8.35864 15.1845 9.70413 10.1764 9.75059 7.87881 numMergedOcc 0
30 mol 141 unq 5 iso 0 dist 8.35864 15.1845 9.70413 14.3045 6.83404 7.27731 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 8.60394 7.05464 8.73722 6.63678 5.41575 6.14767 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 8.60394 7.05464 8.73722 10.2316 6.86566 12.212 numMergedOcc 0
33 mol 156 unq 2 iso 0 dist 8.32227 9.67236 8.61587 5.46268 5.9976 5.81563 numMergedOcc 0
34 mol 156 unq 3 iso 0 dist 8.32227 9.67236 8.61587 4.78734 6.86566 5.52796 numMergedOcc 0
35 mol 156 unq 4 iso 0 dist 9.6281 5.0966 9.44367 9.69888 8.37434 5.71511 numMergedOcc 0
36 mol 156 unq 5 iso 0 dist 9.6281 5.75141 7.90267 9.69888 8.37434 6.13574 numMergedOcc 0
37 mol 156 unq 6 iso 0 dist 6.22667 9.07974 9.44367 5.36066 8.37434 5.71511 numMergedOcc 0
38 mol 156 unq 7 iso 0 dist 6.22667 5.70205 7.90267 5.36066 8.37434 6.13574 numMergedOcc 0
39 mol 162 unq 0 iso 0 dist 9.25835 6.71523 6.45896 8.75377 9.7361 4.38317 numMergedOcc 0
40 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 8.3459 7.21349 4.54749 numMergedOcc 0
41 mol 196 unq 1 iso 0 dist 9.47404 14.9157 6.86319 8.3459 7.21349 10.645 numMergedOcc 0
42 mol 226 unq 0 iso 0 dist 9.61639 9.11816 8.80683 13.4246 5.70795 7.92585 numMergedOcc 0
43 mol 226 unq 1 iso 0 dist 9.61639 6.92489 6.11704 13.4246 5.70795 7.554 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 13.2043 9.8664 4.9377 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 11.1737 6.94789 5.5163 numMergedOcc 0
46 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 11.1737 6.94789 7.77516 numMergedOcc 0
47 mol 235 unq 2 iso 0 dist 6.86251 7.00293 9.21736 11.1737 6.94789 11.7254 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 5.62039 7.42147 9.20822 8.50643 8.10254 10.6582 numMergedOcc 0
49 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 4.30062 5.9627 9.0676 numMergedOcc 0
50 mol 249 unq 1 iso 0 dist 4.68783 9.54906 7.25858 4.30062 5.9627 6.56117 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 7.49913 5.56416 6.71375 11.806 8.984 10.0732 numMergedOcc 0
52 mol 271 unq 0 iso 0 dist 5.70063 5.6441 8.98576 7.0065 5.92274 5.53238 numMergedOcc 0
53 mol 271 unq 1 iso 0 dist 5.70063 5.0976 8.92636 7.0065 5.92274 9.1619 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 8.30714 7.97998 7.46394 8.44509 7.75216 11.1602 numMergedOcc 0
55 mol 274 unq 1 iso 0 dist 8.30714 12.3018 9.45514 8.44509 7.75216 6.52035 numMergedOcc 0
56 mol 274 unq 2 iso 0 dist 8.30714 9.61244 8.91672 8.44509 7.75216 5.58338 numMergedOcc 0
57 mol 274 unq 3 iso 0 dist 8.30714 5.7745 7.1729 8.44509 7.75216 5.71192 numMergedOcc 0
58 mol 274 unq 4 iso 0 dist 9.02661 17.306 8.52587 14.7933 6.88827 6.20558 numMergedOcc 0
59 mol 274 unq 5 iso 0 dist 9.02661 17.306 8.52587 7.09841 9.16942 16.3619 numMergedOcc 0
60 mol 274 unq 6 iso 0 dist 9.02661 10.2307 6.39866 14.7933 6.88827 6.16703 numMergedOcc 0
61 mol 274 unq 7 iso 0 dist 9.02661 10.2307 6.39866 7.09841 9.16942 5.64601 numMergedOcc 0
