0 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 5.42968 3.67206 9.24731 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.04448 8.48944 11.9756 5.42968 9.24731 3.67206 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 9.04448 11.9756 5.94343 8.93303 3.53396 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.04448 8.48944 11.9756 5.94343 3.53396 8.93303 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.48944 6.6834 13.4516 5.42968 3.67206 11.1587 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 6.6834 8.48944 13.4516 5.42968 11.1587 3.67206 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.48944 6.6834 13.4516 5.94343 8.93303 8.72577 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 6.6834 8.48944 13.4516 5.94343 8.72577 8.93303 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.04448 6.6834 10.7501 5.42968 9.24731 11.1587 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.6834 9.04448 10.7501 5.42968 11.1587 9.24731 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.04448 6.6834 10.7501 5.94343 3.53396 8.72577 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 6.6834 9.04448 10.7501 5.94343 8.72577 3.53396 numMergedOcc 0
12 mol 30 unq 0 iso 0 dist 8.3224 8.71602 7.62116 8.15347 12.2339 9.75483 numMergedOcc 0
13 mol 30 unq 0 iso 1 dist 8.71602 8.3224 7.62116 8.15347 9.75483 12.2339 numMergedOcc 0
14 mol 30 unq 1 iso 0 dist 8.3224 7.54379 8.79591 8.15347 12.2339 4.94024 numMergedOcc 0
15 mol 30 unq 1 iso 1 dist 7.54379 8.3224 8.79591 8.15347 4.94024 12.2339 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 8.71602 7.54379 5.02289 8.15347 9.75483 4.94024 numMergedOcc 0
17 mol 30 unq 1 iso 1 dist 7.54379 8.71602 5.02289 8.15347 4.94024 9.75483 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.84956 8.57607 10.3056 8.6356 3.62998 8.96713 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 8.57607 7.84956 10.3056 8.6356 8.96713 3.62998 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 7.84956 6.1991 9.77913 8.6356 3.62998 10.6694 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 6.1991 7.84956 9.77913 8.6356 10.6694 3.62998 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 7.84956 5.96246 7.51315 8.6356 3.62998 10.3539 numMergedOcc 0
23 mol 95 unq 2 iso 1 dist 5.96246 7.84956 7.51315 8.6356 10.3539 3.62998 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 8.57607 6.1991 6.27231 8.6356 8.96713 10.6694 numMergedOcc 0
25 mol 95 unq 1 iso 1 dist 6.1991 8.57607 6.27231 8.6356 10.6694 8.96713 numMergedOcc 0
26 mol 95 unq 2 iso 0 dist 8.57607 5.96246 11.734 8.6356 8.96713 10.3539 numMergedOcc 0
27 mol 95 unq 2 iso 1 dist 5.96246 8.57607 11.734 8.6356 10.3539 8.96713 numMergedOcc 0
28 mol 95 unq 2 iso 0 dist 6.1991 5.96246 6.95874 8.6356 10.6694 10.3539 numMergedOcc 0
29 mol 95 unq 2 iso 1 dist 5.96246 6.1991 6.95874 8.6356 10.3539 10.6694 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 8.33147 8.09403 5.33725 9.98096 4.56877 8.73 numMergedOcc 0
31 mol 184 unq 0 iso 1 dist 8.09403 8.33147 5.33725 9.98096 8.73 4.56877 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 8.33147 8.09403 5.33725 8.24035 6.68311 9.71065 numMergedOcc 0
33 mol 184 unq 1 iso 1 dist 8.09403 8.33147 5.33725 8.24035 9.71065 6.68311 numMergedOcc 0
34 mol 184 unq 2 iso 0 dist 8.33147 8.09403 5.33725 8.77932 3.88698 3.30691 numMergedOcc 0
35 mol 184 unq 2 iso 1 dist 8.09403 8.33147 5.33725 8.77932 3.30691 3.88698 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.04336 9.00537 7.15345 9.6283 5.4547 8.85948 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 9.00537 6.04336 7.15345 9.6283 8.85948 5.4547 numMergedOcc 0
38 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 9.81333 3.42559 6.93096 numMergedOcc 0
39 mol 188 unq 0 iso 1 dist 9.07006 8.01604 3.68927 9.81333 6.93096 3.42559 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 7.59666 6.51936 6.1208 8.47283 8.03752 4.05102 numMergedOcc 0
41 mol 204 unq 0 iso 1 dist 6.51936 7.59666 6.1208 8.47283 4.05102 8.03752 numMergedOcc 0
42 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 9.064 4.67727 10.0842 numMergedOcc 0
43 mol 207 unq 0 iso 1 dist 9.05688 7.25953 6.07936 9.064 10.0842 4.67727 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 9.08259 8.42325 6.88699 7.79803 3.92688 4.47943 numMergedOcc 0
45 mol 253 unq 0 iso 1 dist 8.42325 9.08259 6.88699 7.79803 4.47943 3.92688 numMergedOcc 0
46 mol 260 unq 0 iso 0 dist 6.79386 6.19564 3.64495 8.90109 12.0831 9.94995 numMergedOcc 0
47 mol 260 unq 0 iso 1 dist 6.19564 6.79386 3.64495 8.90109 9.94995 12.0831 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 8.70774 5.9732 3.79766 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 5.80061 7.88009 3.39114 8.70774 3.79766 5.9732 numMergedOcc 0
