0 mol 7 unq 0 iso 0 dist 8.36111 5.77391 6.1206 5.99898 4.80709 7.67927 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99898 5.77391 7.67927 8.36111 4.80709 6.1206 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.2834 10.3415 7.67927 10.7311 4.80709 6.1206 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.21616 5.61445 6.42835 9.45103 6.09368 6.57331 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 6.21616 6.09368 6.42835 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 9.55662 12.7147 4.79873 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.95169 12.2441 9.49421 18.8773 16.0628 7.52933 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.95169 12.2441 9.49421 14.5916 12.1732 6.55597 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 17.19 8.99147 9.71956 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 9.95169 12.2441 9.49421 15.9245 9.54872 7.07751 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 9.95169 12.2441 9.49421 19.8568 14.6175 8.23761 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.16985 6.12361 6.21799 7.81344 3.43675 5.03251 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 8.16985 6.12361 6.21799 5.49421 5.75711 7.66093 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 8.16985 3.43675 6.21799 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 7.81344 6.12361 5.03251 5.49421 5.26077 7.66093 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 7.49245 5.43672 5.03251 10.226 3.43675 6.21799 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 7.49245 5.43672 5.03251 8.9225 5.26077 7.66093 numMergedOcc 0
17 mol 72 unq 6 iso 0 dist 5.49421 6.12361 7.66093 8.16985 5.75711 6.21799 numMergedOcc 0
18 mol 72 unq 7 iso 0 dist 5.49421 6.12361 7.66093 7.81344 5.26077 5.03251 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.47628 7.43704 8.72682 13.7909 11.9298 6.45841 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.47628 7.43704 8.72682 12.083 9.76138 5.61588 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 9.47628 7.43704 8.72682 11.7824 5.81659 7.83244 numMergedOcc 0
22 mol 89 unq 0 iso 0 dist 5.10735 4.77072 6.53308 10.0839 7.04263 7.47974 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 9.55337 9.6331 5.92242 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 12.3653 6.70343 5.2571 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 6.74197 7.71768 7.78931 12.3653 6.70343 8.7497 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 8.38273 3.5565 7.82475 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 5.58623 7.49425 7.86666 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 5.58623 5.25186 7.86666 9.05604 7.49425 6.29161 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 7.77418 6.95852 5.56994 12.3351 5.11 9.05166 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 13.944 5.94312 6.69691 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 8.46972 10.1294 5.51197 15.9447 9.74141 8.86944 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 7.49352 10.5666 5.35237 11.0722 6.05407 8.70621 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 7.49352 14.3463 7.99477 9.78764 4.87973 9.00918 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 15.501 13.4681 7.18002 numMergedOcc 0
35 mol 184 unq 0 iso 0 dist 9.07247 7.25468 5.96423 10.424 5.33725 8.97589 numMergedOcc 0
36 mol 207 unq 0 iso 0 dist 8.01415 5.62653 5.12567 8.25861 6.07936 6.0563 numMergedOcc 0
37 mol 207 unq 1 iso 0 dist 8.01415 5.62653 5.12567 8.5067 10.1734 8.1244 numMergedOcc 0
38 mol 207 unq 2 iso 0 dist 9.3 10.0122 9.98372 6.76443 4.66347 9.1528 numMergedOcc 0
39 mol 207 unq 3 iso 0 dist 9.3 9.87241 6.0563 13.693 6.07936 5.12567 numMergedOcc 0
40 mol 207 unq 4 iso 0 dist 9.3 9.87241 6.0563 6.76443 4.66347 8.1244 numMergedOcc 0
41 mol 207 unq 5 iso 0 dist 8.25861 4.4545 9.98372 8.5067 4.66347 9.1528 numMergedOcc 0
42 mol 207 unq 6 iso 0 dist 8.25861 5.62653 6.0563 8.01415 6.07936 5.12567 numMergedOcc 0
43 mol 207 unq 7 iso 0 dist 8.25861 5.62653 6.0563 8.5067 4.66347 8.1244 numMergedOcc 0
44 mol 207 unq 8 iso 0 dist 8.61191 14.6821 9.1528 11.9271 4.66347 9.98372 numMergedOcc 0
45 mol 207 unq 9 iso 0 dist 8.61191 14.5186 8.1244 17.4548 10.1734 5.12567 numMergedOcc 0
46 mol 207 unq 10 iso 0 dist 8.61191 14.5186 8.1244 11.9271 4.66347 6.0563 numMergedOcc 0
47 mol 207 unq 11 iso 0 dist 6.76443 10.0122 9.1528 9.3 4.66347 9.98372 numMergedOcc 0
48 mol 207 unq 12 iso 0 dist 6.76443 9.87241 8.1244 13.693 10.1734 5.12567 numMergedOcc 0
49 mol 207 unq 13 iso 0 dist 6.76443 9.87241 8.1244 9.3 4.66347 6.0563 numMergedOcc 0
50 mol 207 unq 14 iso 0 dist 8.5067 4.4545 9.1528 8.25861 4.66347 9.98372 numMergedOcc 0
51 mol 207 unq 15 iso 0 dist 8.5067 5.62653 8.1244 8.01415 10.1734 5.12567 numMergedOcc 0
52 mol 207 unq 16 iso 0 dist 8.5067 5.62653 8.1244 8.25861 4.66347 6.0563 numMergedOcc 0
53 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 11.6182 3.58181 7.48954 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 10.0621 4.8835 6.29377 numMergedOcc 0
55 mol 235 unq 1 iso 0 dist 6.50932 8.38435 5.1823 10.0621 4.8835 5.70635 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 5.54003 7.95216 8.67156 10.4009 6.67199 7.10671 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 9.2885 5.43184 8.03219 10.5384 8.0048 6.9899 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 14.7473 10.3051 9.63573 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 9.40401 11.1036 9.30212 13.1282 13.5848 6.4611 numMergedOcc 0
60 mol 274 unq 1 iso 0 dist 5.64169 11.5127 9.30212 13.5288 13.5848 6.4611 numMergedOcc 0
