0 mol 0 unq 0 iso 0 dist 9.94618 9.16606 11.4815 6.94181 14.0556 5.85361 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.58865 8.40995 5.42241 7.32392 8.54694 4.77411 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.0323 8.05125 5.96526 7.15434 5.70161 9.17482 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.53564 7.62469 6.44784 9.17086 10.323 5.39546 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 6.54183 10.1356 5.58127 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 6.54183 10.1356 5.54544 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 8.40931 7.40093 3.73188 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.87856 7.88143 6.62867 5.85841 6.83826 4.04716 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.87856 7.88143 6.62867 7.00285 9.94628 13.0429 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 8.87856 6.62952 11.2334 5.85841 6.83826 4.75433 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.87856 6.62952 11.2334 7.00285 9.94628 11.5098 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.2491 7.88143 12.7928 5.85841 9.30656 4.04716 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.2491 7.88143 12.7928 7.00285 5.39087 13.0429 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 6.2491 6.62952 7.89992 5.85841 9.30656 4.75433 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 6.2491 6.62952 7.89992 7.00285 5.39087 11.5098 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 3.59451 4.3521 7.89992 6.78839 9.30656 4.75433 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 3.59451 4.3521 7.89992 8.02354 5.39087 11.5098 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 8.26758 4.7588 5.33623 6.26542 10.844 6.07909 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 8.26758 4.7588 5.33623 7.02765 14.1618 9.02353 numMergedOcc 0
21 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 9.3485 7.53958 4.59715 numMergedOcc 0
22 mol 101 unq 1 iso 0 dist 5.51185 7.11476 4.84084 9.3485 4.79998 4.59715 numMergedOcc 0
23 mol 124 unq 0 iso 0 dist 5.61764 8.03603 5.26643 6.35314 5.31501 5.1738 numMergedOcc 0
24 mol 125 unq 0 iso 0 dist 6.6081 8.75402 4.77979 7.76202 6.92879 5.87414 numMergedOcc 0
25 mol 125 unq 1 iso 0 dist 9.64304 8.48363 4.77979 6.03557 9.19339 6.10523 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 6.24392 7.01529 4.7848 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 9.33945 8.25445 14.651 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 7.8034 6.45169 10.1774 9.33945 8.25445 7.47571 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 7.94564 6.00896 6.01484 6.54987 7.38651 4.8408 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 9.21999 6.00896 10.6104 6.54987 10.3334 4.8408 numMergedOcc 0
31 mol 140 unq 0 iso 0 dist 9.74209 6.55217 4.8476 7.83582 12.1389 9.7827 numMergedOcc 0
32 mol 140 unq 1 iso 0 dist 9.74209 6.55217 4.8476 9.89896 12.4171 7.94378 numMergedOcc 0
33 mol 140 unq 2 iso 0 dist 9.74209 6.55217 4.8476 9.68229 16.7631 12.2163 numMergedOcc 0
34 mol 140 unq 3 iso 0 dist 9.74209 7.21686 8.53976 7.83582 12.1389 5.80354 numMergedOcc 0
35 mol 140 unq 4 iso 0 dist 9.74209 7.21686 8.53976 9.89896 12.4171 9.09814 numMergedOcc 0
36 mol 140 unq 5 iso 0 dist 9.74209 7.21686 8.53976 9.68229 16.7631 9.18193 numMergedOcc 0
37 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 7.15087 13.1936 9.15453 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.60838 5.43283 9.48798 numMergedOcc 0
39 mol 203 unq 0 iso 0 dist 6.8395 7.72498 5.52709 9.36402 6.78107 5.01258 numMergedOcc 0
40 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 6.14896 7.49966 7.34962 numMergedOcc 0
41 mol 209 unq 1 iso 0 dist 8.65539 8.12326 10.2501 6.14896 7.49966 7.61997 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 5.98076 9.11823 10.7072 4.851 8.31343 5.97687 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 8.7419 8.81265 4.81992 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 7.10689 7.99609 9.50337 8.5834 4.28891 9.69122 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 8.68767 8.18749 4.42976 9.73411 14.3302 11.2298 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.68767 8.18749 4.42976 7.75485 9.74911 5.95421 numMergedOcc 0
47 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 5.62804 7.07028 9.33469 numMergedOcc 0
48 mol 230 unq 1 iso 0 dist 5.00735 9.32781 4.85368 9.3619 11.491 14.1107 numMergedOcc 0
49 mol 230 unq 2 iso 0 dist 6.73755 9.32781 7.91665 5.62804 5.26217 9.33469 numMergedOcc 0
50 mol 230 unq 3 iso 0 dist 6.73755 9.32781 7.91665 9.3619 7.46522 14.1107 numMergedOcc 0
51 mol 249 unq 0 iso 0 dist 6.04688 5.70674 4.88298 7.72708 9.50161 9.37444 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 7.74647 4.91772 7.39139 6.41821 4.98533 4.90903 numMergedOcc 0
53 mol 256 unq 0 iso 0 dist 8.11884 9.92947 10.2154 5.98967 9.07441 4.85574 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 8.34471 9.53832 8.44005 8.40766 9.45618 11.3925 numMergedOcc 0
55 mol 258 unq 1 iso 0 dist 6.59521 8.73425 5.27718 8.21585 9.22664 5.90131 numMergedOcc 0
56 mol 258 unq 2 iso 0 dist 6.59521 9.65711 9.46467 8.21585 9.22664 4.51422 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 8.83777 6.40125 6.08499 7.07459 12.7283 12.8864 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 numMergedOcc 0
59 mol 280 unq 0 iso 0 dist 9.047 6.38295 14.0927 8.80588 14.1091 8.26589 numMergedOcc 0
60 mol 280 unq 1 iso 0 dist 9.9227 6.38295 11.4101 8.80588 4.95798 8.26589 numMergedOcc 0
