0 mol 5 unq 0 iso 0 dist 5.63302 4.55639 3.50411 5.8674 7.64769 8.68577 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.63302 4.55639 3.50411 6.88126 8.31759 8.13672 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.63302 5.70163 4.84696 5.8674 7.64769 9.70883 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.63302 5.70163 4.84696 6.88126 8.31759 11.5358 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 4.55639 5.63302 3.50411 5.8674 8.68577 7.64769 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 4.55639 5.63302 3.50411 6.88126 8.13672 8.31759 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 4.55639 5.70163 5.30421 5.8674 8.68577 9.70883 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 4.55639 5.70163 5.30421 6.88126 8.13672 11.5358 numMergedOcc 0
8 mol 5 unq 8 iso 0 dist 5.70163 5.63302 4.84696 5.8674 9.70883 7.64769 numMergedOcc 0
9 mol 5 unq 9 iso 0 dist 5.70163 5.63302 4.84696 11.1601 9.65565 14.0944 numMergedOcc 0
10 mol 5 unq 10 iso 0 dist 5.70163 4.55639 5.30421 5.8674 9.70883 8.68577 numMergedOcc 0
11 mol 5 unq 11 iso 0 dist 5.70163 4.55639 5.30421 11.1601 9.65565 12.7584 numMergedOcc 0
12 mol 20 unq 0 iso 0 dist 8.65986 9.39462 3.39356 11.253 7.47395 9.78752 numMergedOcc 0
13 mol 20 unq 1 iso 0 dist 9.74724 9.13347 3.39356 12.4229 7.47395 9.78752 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 7.18124 6.47026 6.0925 7.19357 8.25818 10.2171 numMergedOcc 0
15 mol 28 unq 0 iso 0 dist 8.96154 8.90935 3.70336 11.9912 8.53424 7.08766 numMergedOcc 0
16 mol 28 unq 1 iso 0 dist 8.90935 8.96154 3.70336 11.9912 7.08766 8.53424 numMergedOcc 0
17 mol 30 unq 0 iso 0 dist 9.13786 8.56807 6.09772 3.30907 9.63882 6.87277 numMergedOcc 0
18 mol 30 unq 1 iso 0 dist 8.56807 9.13786 6.09772 3.30907 6.87277 9.63882 numMergedOcc 0
19 mol 30 unq 2 iso 0 dist 8.28218 8.10811 12.0223 9.23676 9.63882 17.0544 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.67463 9.43843 16.5258 7.59896 4.18248 17.0286 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.46167 6.13175 5.7147 4.62493 5.31126 4.49669 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 8.46167 6.13175 5.7147 6.47997 7.16619 5.88896 numMergedOcc 0
23 mol 113 unq 2 iso 0 dist 8.46167 4.34107 8.09465 4.62493 5.31126 6.00221 numMergedOcc 0
24 mol 113 unq 3 iso 0 dist 8.46167 4.34107 8.09465 6.47997 7.16619 7.84239 numMergedOcc 0
25 mol 113 unq 4 iso 0 dist 6.13175 8.46167 5.7147 4.62493 4.49669 5.31126 numMergedOcc 0
26 mol 113 unq 5 iso 0 dist 6.13175 8.46167 5.7147 6.47997 5.88896 7.16619 numMergedOcc 0
27 mol 113 unq 6 iso 0 dist 6.13175 4.34107 3.74304 4.62493 4.49669 6.00221 numMergedOcc 0
28 mol 113 unq 7 iso 0 dist 6.13175 4.34107 3.74304 6.47997 5.88896 7.84239 numMergedOcc 0
29 mol 113 unq 8 iso 0 dist 4.34107 8.46167 8.09465 4.62493 6.00221 5.31126 numMergedOcc 0
30 mol 113 unq 9 iso 0 dist 4.34107 6.13175 3.74304 4.62493 6.00221 4.49669 numMergedOcc 0
31 mol 120 unq 0 iso 0 dist 9.43682 8.0564 8.68088 3.47821 7.84207 8.56947 numMergedOcc 0
32 mol 120 unq 1 iso 0 dist 9.43682 8.0564 8.68088 6.10769 6.98791 11.3644 numMergedOcc 0
33 mol 120 unq 2 iso 0 dist 8.0564 9.43682 8.68088 3.47821 8.56947 7.84207 numMergedOcc 0
34 mol 123 unq 0 iso 0 dist 8.20345 5.38148 8.77423 3.21474 8.78115 8.03692 numMergedOcc 0
35 mol 123 unq 1 iso 0 dist 5.38148 8.20345 8.77423 8.56894 5.56127 13.5017 numMergedOcc 0
36 mol 123 unq 2 iso 0 dist 5.38148 8.20345 8.77423 3.21474 8.03692 8.78115 numMergedOcc 0
37 mol 123 unq 3 iso 0 dist 5.38148 8.20345 8.77423 9.94939 5.36214 12.1434 numMergedOcc 0
38 mol 169 unq 0 iso 0 dist 9.39809 8.38775 5.23644 6.05322 5.10589 4.63336 numMergedOcc 0
39 mol 169 unq 1 iso 0 dist 8.38775 9.39809 5.23644 6.05322 4.63336 5.10589 numMergedOcc 0
40 mol 176 unq 0 iso 0 dist 5.58647 5.60333 3.17744 5.64063 6.85902 9.09371 numMergedOcc 0
41 mol 176 unq 1 iso 0 dist 5.58647 8.5733 4.75543 5.64063 6.85902 10.081 numMergedOcc 0
42 mol 230 unq 0 iso 0 dist 8.46558 9.96417 10.3113 9.06529 9.47092 12.6014 numMergedOcc 0
43 mol 230 unq 1 iso 0 dist 8.46558 9.28671 13.2396 9.06529 9.47092 11.6163 numMergedOcc 0
44 mol 254 unq 0 iso 0 dist 5.44351 8.07881 3.31939 5.14008 7.85841 11.0394 numMergedOcc 0
45 mol 254 unq 1 iso 0 dist 5.44351 6.34051 3.15539 5.14008 7.85841 9.20109 numMergedOcc 0
46 mol 254 unq 2 iso 0 dist 6.34051 8.07881 4.69077 5.14008 9.20109 11.0394 numMergedOcc 0
47 mol 254 unq 3 iso 0 dist 6.34051 5.44351 3.15539 5.14008 9.20109 7.85841 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 8.53393 7.24165 3.00605 13.7573 7.8598 7.80711 numMergedOcc 0
49 mol 266 unq 1 iso 0 dist 8.53393 7.24165 3.00605 10.0357 8.25286 9.9965 numMergedOcc 0
50 mol 266 unq 2 iso 0 dist 7.24165 8.53393 3.00605 13.7573 7.80711 7.8598 numMergedOcc 0
51 mol 266 unq 3 iso 0 dist 7.24165 8.53393 3.00605 10.0357 9.9965 8.25286 numMergedOcc 0
52 mol 283 unq 0 iso 0 dist 9.90494 9.74797 13.4236 12.6476 7.31132 13.2763 numMergedOcc 0
