0 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 11.4767 5.25379 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 17.7278 9.85726 13.6036 5.03532 6.44736 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 11.3153 8.02105 7.21717 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 12.9886 9.97686 8.08618 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.58384 5.85228 6.48625 13.0785 9.97686 8.08618 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 9.54477 11.5412 9.24757 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.10386 4.69583 7.26679 9.54477 11.2253 9.24757 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.66744 8.59095 6.89722 17.7136 11.5412 9.24757 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.78043 7.17015 4.98104 13.0999 9.52463 6.95572 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.78043 7.17015 4.98104 10.7591 6.07224 7.38677 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 5.74364 4.52119 4.98104 9.18898 9.52463 6.95572 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 5.74364 4.52119 4.98104 7.67331 6.07224 7.38677 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 15.1709 10.4216 8.31932 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 15.1709 12.8733 8.31932 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 7.58908 12.5781 9.01767 17.3345 10.4216 8.31932 numMergedOcc 0
15 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 17.3345 12.8733 8.31932 numMergedOcc 0
16 mol 108 unq 0 iso 0 dist 5.52402 4.93762 7.29462 9.51844 4.70778 9.01852 numMergedOcc 0
17 mol 108 unq 1 iso 0 dist 5.52402 4.93762 7.29462 13.3384 11.386 9.75958 numMergedOcc 0
18 mol 108 unq 2 iso 0 dist 7.57593 4.93762 5.4057 9.51844 6.76634 9.01852 numMergedOcc 0
19 mol 108 unq 3 iso 0 dist 7.57593 4.93762 5.4057 13.3384 6.17742 9.75958 numMergedOcc 0
20 mol 108 unq 4 iso 0 dist 6.79804 12.0414 7.29462 10.9819 4.70778 9.01852 numMergedOcc 0
21 mol 108 unq 5 iso 0 dist 6.79804 12.0414 7.29462 17.1234 11.386 9.75958 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 5.28955 10.7421 9.93703 8.75431 5.01597 8.99399 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 6.67306 8.8283 9.42766 13.8424 13.1831 6.52773 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 6.67306 8.8283 9.42766 11.519 6.34278 9.23858 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.21256 13.46 6.11955 9.58772 4.7146 5.87634 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.3243 13.7612 6.11955 9.04845 4.7146 5.87634 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 8.95239 12.9605 6.11955 7.94325 4.7146 5.87634 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 6.23615 4.64588 6.11955 6.72323 4.7146 5.87634 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 10.5689 10.8517 6.46704 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 4.96259 4.11061 6.00053 6.95568 5.87168 6.59025 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 8.48582 4.04545 9.24118 10.8092 10.9086 7.14503 numMergedOcc 0
32 mol 188 unq 1 iso 0 dist 8.48582 4.04545 9.24118 9.37017 8.98299 8.10214 numMergedOcc 0
33 mol 197 unq 0 iso 0 dist 5.79753 13.0113 8.64255 10.4552 4.91904 7.50013 numMergedOcc 0
34 mol 197 unq 1 iso 0 dist 5.79753 13.0113 8.64255 13.1777 7.59634 5.81233 numMergedOcc 0
35 mol 197 unq 2 iso 0 dist 5.79753 13.0113 8.64255 13.081 10.3181 6.92924 numMergedOcc 0
36 mol 197 unq 3 iso 0 dist 5.79753 13.0113 8.64255 19.1389 14.2718 7.14306 numMergedOcc 0
37 mol 197 unq 4 iso 0 dist 7.56537 4.57437 8.64255 8.98598 4.91904 7.50013 numMergedOcc 0
38 mol 197 unq 5 iso 0 dist 7.56537 4.57437 8.64255 7.06689 7.59634 5.81233 numMergedOcc 0
39 mol 197 unq 6 iso 0 dist 7.56537 4.57437 8.64255 9.69601 10.3181 6.92924 numMergedOcc 0
40 mol 197 unq 7 iso 0 dist 7.56537 4.57437 8.64255 11.6502 14.2718 7.14306 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 5.86419 5.42117 4.8668 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 5.01229 4.67262 4.58599 11.6475 11.5146 8.14332 numMergedOcc 0
43 mol 226 unq 0 iso 0 dist 8.10096 5.47434 9.5723 7.04477 7.93097 6.11704 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 4.90407 5.44171 5.00515 9.19443 6.63685 6.30154 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 4.90407 5.44171 5.00515 12.5134 10.6768 7.32499 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 6.71398 13.1002 9.71281 9.52022 6.18998 6.36341 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 9.91921 4.7157 9.31417 12.6054 16.7165 9.24557 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 8.20243 4.7157 5.56719 12.6054 11.9863 9.24557 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 8.15897 9.87799 9.72526 12.949 7.18308 7.89524 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 15.7189 7.15953 7.6595 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 9.4886 8.27707 6.09782 8.63176 8.01004 9.63959 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 5.22111 5.41945 7.93997 8.90398 10.9643 7.08526 numMergedOcc 0
53 mol 259 unq 1 iso 0 dist 8.53598 10.2837 7.93997 13.1824 10.9643 7.08526 numMergedOcc 0
54 mol 265 unq 0 iso 0 dist 8.03655 7.602 8.1498 11.0563 7.43256 6.71375 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 8.78928 5.75973 8.90885 6.38341 5.06747 8.83865 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 8.78928 9.40198 9.96963 6.38341 5.06747 9.18157 numMergedOcc 0
57 mol 273 unq 2 iso 0 dist 9.12505 8.06201 7.89852 13.8636 5.62662 9.18157 numMergedOcc 0
58 mol 278 unq 0 iso 0 dist 6.83278 13.5373 9.82774 18.0863 11.9007 8.00673 numMergedOcc 0
