0 mol 5 unq 0 iso 0 dist 6.81899 11.2349 9.89017 6.28914 8.97274 15.8913 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.81899 8.83747 8.73111 6.28914 8.97274 12.7521 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.02651 4.72753 6.11444 6.42789 8.63643 4.0489 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.38747 9.75673 7.13468 7.15351 6.87842 4.11841 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.38747 5.64235 9.57803 7.15351 6.87842 3.43785 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 8.99724 9.8565 7.13468 6.51818 6.87842 4.11841 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 8.99724 7.56929 9.57803 6.51818 6.87842 3.43785 numMergedOcc 0
7 mol 29 unq 0 iso 0 dist 8.53135 7.27473 7.28761 11.2036 9.78134 6.0516 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 7.67459 11.1757 7.32236 9.50501 6.57633 4.03744 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 7.62469 10.1488 8.90701 4.9903 8.21247 9.05723 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 4.80247 6.79286 8.15885 10.8339 9.23105 6.3122 numMergedOcc 0
11 mol 56 unq 1 iso 0 dist 4.80247 6.79286 8.15885 7.01089 6.14494 3.69782 numMergedOcc 0
12 mol 56 unq 2 iso 0 dist 4.80247 4.23822 7.43523 10.8339 9.23105 8.96639 numMergedOcc 0
13 mol 56 unq 3 iso 0 dist 4.80247 4.23822 7.43523 7.01089 6.14494 5.54735 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.5614 12.9884 8.14817 9.88447 7.95751 14.9396 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.5614 12.9884 8.14817 8.09962 5.39002 13.1743 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.27341 12.2127 9.17101 10.2277 7.94976 3.90634 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 8.95432 11.8233 8.79758 11.7299 7.68074 3.40919 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 8.95432 11.8233 8.79758 17.16 9.1854 9.88034 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 9.15159 12.8766 7.45761 13.3123 8.38932 10.1568 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.60838 11.4066 8.11956 13.1601 8.09915 4.4877 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.50367 7.54885 6.93215 4.61281 7.80421 3.61565 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.50367 7.54885 6.93215 6.94265 9.71107 12.0662 numMergedOcc 0
23 mol 210 unq 2 iso 0 dist 8.50367 7.54885 6.93215 9.08763 9.7449 13.912 numMergedOcc 0
24 mol 210 unq 3 iso 0 dist 8.94889 10.4785 6.93215 10.3044 7.80421 3.61565 numMergedOcc 0
25 mol 210 unq 4 iso 0 dist 8.94889 10.4785 6.93215 4.3844 9.71107 12.0662 numMergedOcc 0
26 mol 210 unq 5 iso 0 dist 8.94889 10.4785 6.93215 6.85132 9.7449 13.912 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 5.17916 8.66522 8.60727 7.60854 7.99441 10.308 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 5.17916 8.66522 8.60727 5.13817 6.71817 10.9701 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 5.17916 8.66522 8.60727 4.54609 8.41524 12.8672 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.35677 4.38027 8.96074 10.7796 7.92513 8.8184 numMergedOcc 0
31 mol 242 unq 0 iso 0 dist 9.035 4.80103 5.97464 8.04296 8.29838 4.20404 numMergedOcc 0
32 mol 242 unq 1 iso 0 dist 9.035 7.90197 9.01402 8.04296 8.29838 5.38935 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 6.93798 8.33215 4.1631 5.83652 5.32876 4.24789 numMergedOcc 0
34 mol 283 unq 1 iso 0 dist 6.93798 8.33215 4.1631 5.99759 7.60296 5.57175 numMergedOcc 0
