0 mol 26 unq 0 iso 0 dist 8.6112 9.63803 5.23054 7.89667 7.07479 8.86888 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.47718 8.55202 5.91159 8.79378 6.54685 9.44812 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.53794 7.32064 16.4946 8.48827 17.4664 6.99884 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.53794 7.32064 16.4946 7.14048 16.6402 3.75261 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.53794 5.24136 14.0662 8.48827 17.4664 7.80916 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.53794 5.24136 14.0662 7.14048 16.6402 5.07608 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.53794 6.44687 10.1424 8.48827 17.4664 12.6024 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.53794 6.44687 10.1424 7.14048 16.6402 11.1395 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 9.53794 5.85007 13.583 8.48827 17.4664 4.75637 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 9.53794 5.85007 13.583 7.14048 16.6402 5.62063 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 9.84346 7.32064 13.8703 8.48827 15.9532 6.99884 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 9.84346 7.32064 13.8703 7.14048 14.6188 3.75261 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 9.84346 5.24136 13.4395 8.48827 15.9532 7.80916 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 9.84346 5.24136 13.4395 7.14048 14.6188 5.07608 numMergedOcc 0
14 mol 78 unq 12 iso 0 dist 9.84346 6.44687 14.488 8.48827 15.9532 12.6024 numMergedOcc 0
15 mol 78 unq 13 iso 0 dist 9.84346 6.44687 14.488 7.14048 14.6188 11.1395 numMergedOcc 0
16 mol 78 unq 14 iso 0 dist 9.84346 5.85007 11.9719 8.48827 15.9532 4.75637 numMergedOcc 0
17 mol 78 unq 15 iso 0 dist 9.84346 5.85007 11.9719 7.14048 14.6188 5.62063 numMergedOcc 0
18 mol 78 unq 16 iso 0 dist 9.46472 4.62314 13.8703 8.03895 15.9532 6.99884 numMergedOcc 0
19 mol 78 unq 17 iso 0 dist 9.46472 4.62314 13.8703 5.68873 14.6188 3.75261 numMergedOcc 0
20 mol 78 unq 18 iso 0 dist 9.46472 4.41745 13.4395 8.03895 15.9532 7.80916 numMergedOcc 0
21 mol 78 unq 19 iso 0 dist 9.46472 4.41745 13.4395 5.68873 14.6188 5.07608 numMergedOcc 0
22 mol 78 unq 20 iso 0 dist 9.46472 6.35234 11.9719 8.03895 15.9532 4.75637 numMergedOcc 0
23 mol 78 unq 21 iso 0 dist 9.46472 6.35234 11.9719 5.68873 14.6188 5.62063 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 7.74131 7.58743 3.45432 9.853 7.37828 5.43879 numMergedOcc 0
25 mol 79 unq 1 iso 0 dist 7.74131 8.59739 3.80156 7.06029 6.82396 5.70329 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 7.08403 5.96967 3.52445 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 9.16999 8.75894 8.71432 8.94636 4.96315 10.1848 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 9.0455 8.09774 9.05571 7.84813 3.54691 9.87781 numMergedOcc 0
29 mol 146 unq 0 iso 0 dist 9.03955 8.85403 8.45835 7.70383 3.5864 6.15206 numMergedOcc 0
30 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 8.97414 3.56227 6.06538 numMergedOcc 0
31 mol 168 unq 1 iso 0 dist 9.76722 9.23064 9.43003 8.00063 6.15982 13.0096 numMergedOcc 0
32 mol 168 unq 2 iso 0 dist 9.76722 7.30338 8.01699 8.97414 3.56227 9.99868 numMergedOcc 0
33 mol 168 unq 3 iso 0 dist 9.76722 7.30338 8.01699 8.00063 6.15982 3.5168 numMergedOcc 0
34 mol 169 unq 0 iso 0 dist 9.83308 6.27683 7.0638 7.33643 5.74428 3.59996 numMergedOcc 0
35 mol 169 unq 1 iso 0 dist 8.97159 6.27683 13.7432 7.33643 12.9566 3.59996 numMergedOcc 0
36 mol 169 unq 2 iso 0 dist 8.44483 6.00783 8.55252 7.50458 3.69097 9.60496 numMergedOcc 0
37 mol 169 unq 3 iso 0 dist 8.44483 6.00783 8.55252 5.79554 7.14832 10.5251 numMergedOcc 0
38 mol 169 unq 4 iso 0 dist 8.44483 6.00783 8.55252 4.22003 8.01356 8.67112 numMergedOcc 0
39 mol 169 unq 5 iso 0 dist 9.79864 6.00783 5.37021 7.50458 11.5623 9.60496 numMergedOcc 0
40 mol 169 unq 6 iso 0 dist 9.79864 6.00783 5.37021 5.79554 12.6041 10.5251 numMergedOcc 0
41 mol 169 unq 7 iso 0 dist 9.79864 6.00783 5.37021 4.22003 10.4049 8.67112 numMergedOcc 0
42 mol 169 unq 8 iso 0 dist 9.73241 6.00783 8.90362 7.50458 16.721 9.60496 numMergedOcc 0
43 mol 169 unq 9 iso 0 dist 9.73241 6.00783 8.90362 5.79554 14.8989 10.5251 numMergedOcc 0
44 mol 169 unq 10 iso 0 dist 9.73241 6.00783 8.90362 4.22003 11.6433 8.67112 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 8.59783 6.51523 9.12839 7.06555 14.5273 7.20382 numMergedOcc 0
46 mol 192 unq 0 iso 0 dist 9.80584 7.93715 9.82173 5.05414 9.70184 3.41605 numMergedOcc 0
47 mol 192 unq 1 iso 0 dist 9.80584 7.93715 9.82173 7.16964 13.6636 7.59825 numMergedOcc 0
48 mol 192 unq 2 iso 0 dist 7.95713 7.93715 9.52963 5.05414 8.12818 3.41605 numMergedOcc 0
49 mol 192 unq 3 iso 0 dist 7.95713 7.93715 9.52963 7.16964 10.7274 7.59825 numMergedOcc 0
50 mol 196 unq 0 iso 0 dist 8.86439 8.76076 12.519 9.34759 6.16315 15.8037 numMergedOcc 0
51 mol 196 unq 1 iso 0 dist 8.86439 4.36496 6.6569 9.34759 6.16315 10.0295 numMergedOcc 0
52 mol 196 unq 2 iso 0 dist 8.86439 7.34995 5.29359 9.34759 6.16315 6.367 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 5.29561 9.85909 6.05991 8.00949 8.56792 10.4613 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 5.29561 9.85909 6.05991 8.19257 5.75118 10.9338 numMergedOcc 0
55 mol 232 unq 2 iso 0 dist 9.16638 9.85909 15.9224 8.00949 14.7394 10.4613 numMergedOcc 0
56 mol 232 unq 3 iso 0 dist 9.16638 9.85909 15.9224 8.19257 5.97529 10.9338 numMergedOcc 0
57 mol 233 unq 0 iso 0 dist 7.74693 5.76164 3.98113 9.69772 9.30391 6.70299 numMergedOcc 0
58 mol 244 unq 0 iso 0 dist 5.06669 9.11416 12.7525 5.16859 3.62882 12.3227 numMergedOcc 0
59 mol 244 unq 1 iso 0 dist 5.06669 9.11416 12.7525 4.79207 7.8506 7.21693 numMergedOcc 0
60 mol 244 unq 2 iso 0 dist 5.65248 9.11416 7.99094 5.16859 5.2503 12.3227 numMergedOcc 0
61 mol 244 unq 3 iso 0 dist 5.65248 9.11416 7.99094 4.79207 3.66626 7.21693 numMergedOcc 0
62 mol 278 unq 0 iso 0 dist 9.60643 9.54428 3.96363 9.93392 7.09039 3.20775 numMergedOcc 0
63 mol 278 unq 1 iso 0 dist 7.79408 9.54428 8.26501 9.93392 10.8254 3.20775 numMergedOcc 0
64 mol 283 unq 0 iso 0 dist 8.36393 8.4275 3.77125 9.35302 15.5185 13.7144 numMergedOcc 0
65 mol 283 unq 1 iso 0 dist 8.36393 8.4275 3.77125 8.85163 6.35533 3.12129 numMergedOcc 0
66 mol 285 unq 0 iso 0 dist 8.12306 8.69325 7.22841 5.28731 10.1123 10.7499 numMergedOcc 0
67 mol 285 unq 1 iso 0 dist 8.12306 5.09181 6.01574 5.28731 10.1123 4.98469 numMergedOcc 0
68 mol 285 unq 2 iso 0 dist 8.12306 8.27917 8.02755 6.73396 5.00843 3.14843 numMergedOcc 0
