0 mol 10 unq 0 iso 0 dist 7.93277 9.6451 5.79151 5.8369 10.0013 8.53083 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 7.93277 5.8369 10.0013 9.6451 5.79151 8.53083 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.88888 9.6451 15.5615 5.8369 8.67329 8.53083 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 8.88888 5.8369 8.67329 9.6451 15.5615 8.53083 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.13565 9.11745 3.08756 4.62145 3.30447 6.09772 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 7.13565 4.62145 3.30447 9.11745 3.08756 6.09772 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 7.13565 9.11745 3.08756 9.71995 10.8938 11.1844 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 7.13565 9.71995 10.8938 9.11745 3.08756 11.1844 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.13565 4.62145 3.30447 9.71995 10.8938 11.2187 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 7.13565 9.71995 10.8938 4.62145 3.30447 11.2187 numMergedOcc 0
10 mol 41 unq 0 iso 0 dist 6.35506 7.16598 6.26697 7.42476 6.02154 4.19742 numMergedOcc 0
11 mol 41 unq 0 iso 1 dist 6.35506 7.42476 6.02154 7.16598 6.26697 4.19742 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 8.8645 8.52681 4.88527 9.98769 5.56357 4.78728 numMergedOcc 0
13 mol 48 unq 0 iso 1 dist 8.8645 9.98769 5.56357 8.52681 4.88527 4.78728 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 7.34325 7.90416 5.22869 9.74553 11.1154 14.9999 numMergedOcc 0
15 mol 48 unq 1 iso 1 dist 7.34325 9.74553 11.1154 7.90416 5.22869 14.9999 numMergedOcc 0
16 mol 48 unq 2 iso 0 dist 6.42037 7.90416 4.48872 9.74553 12.8399 14.9999 numMergedOcc 0
17 mol 48 unq 2 iso 1 dist 6.42037 9.74553 12.8399 7.90416 4.48872 14.9999 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 8.3491 9.40291 5.43784 7.94814 4.57947 4.73799 numMergedOcc 0
19 mol 48 unq 3 iso 1 dist 8.3491 7.94814 4.57947 9.40291 5.43784 4.73799 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 8.3491 9.40291 5.43784 9.55632 4.60843 7.19576 numMergedOcc 0
21 mol 48 unq 4 iso 1 dist 8.3491 9.55632 4.60843 9.40291 5.43784 7.19576 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 8.3491 7.94814 4.57947 9.55632 4.60843 3.18526 numMergedOcc 0
23 mol 48 unq 4 iso 1 dist 8.3491 9.55632 4.60843 7.94814 4.57947 3.18526 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 8.0732 6.42361 5.19008 7.4121 5.27556 3.00464 numMergedOcc 0
25 mol 147 unq 0 iso 1 dist 8.0732 7.4121 5.27556 6.42361 5.19008 3.00464 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 5.93918 6.42361 3.7729 7.4121 6.34165 3.00464 numMergedOcc 0
27 mol 147 unq 1 iso 1 dist 5.93918 7.4121 6.34165 6.42361 3.7729 3.00464 numMergedOcc 0
28 mol 158 unq 0 iso 0 dist 7.68074 7.76952 7.53461 9.98554 13.5303 17.1307 numMergedOcc 0
29 mol 158 unq 0 iso 1 dist 7.68074 9.98554 13.5303 7.76952 7.53461 17.1307 numMergedOcc 0
30 mol 158 unq 1 iso 0 dist 9.1854 7.76952 15.3696 9.98554 5.09517 17.1307 numMergedOcc 0
31 mol 158 unq 1 iso 1 dist 9.1854 9.98554 5.09517 7.76952 15.3696 17.1307 numMergedOcc 0
32 mol 168 unq 0 iso 0 dist 8.18217 5.64732 6.06538 5.52214 10.919 6.37254 numMergedOcc 0
33 mol 168 unq 0 iso 1 dist 8.18217 5.52214 10.919 5.64732 6.06538 6.37254 numMergedOcc 0
34 mol 168 unq 1 iso 0 dist 8.18217 5.64732 6.06538 5.80055 13.0096 8.38976 numMergedOcc 0
35 mol 168 unq 1 iso 1 dist 8.18217 5.80055 13.0096 5.64732 6.06538 8.38976 numMergedOcc 0
36 mol 168 unq 2 iso 0 dist 8.18217 5.64732 6.06538 7.44481 14.104 8.62142 numMergedOcc 0
37 mol 168 unq 2 iso 1 dist 8.18217 7.44481 14.104 5.64732 6.06538 8.62142 numMergedOcc 0
38 mol 168 unq 1 iso 0 dist 8.18217 5.52214 10.919 5.80055 13.0096 6.81049 numMergedOcc 0
39 mol 168 unq 1 iso 1 dist 8.18217 5.80055 13.0096 5.52214 10.919 6.81049 numMergedOcc 0
40 mol 168 unq 2 iso 0 dist 8.18217 5.52214 10.919 7.44481 14.104 5.50898 numMergedOcc 0
41 mol 168 unq 2 iso 1 dist 8.18217 7.44481 14.104 5.52214 10.919 5.50898 numMergedOcc 0
42 mol 168 unq 2 iso 0 dist 8.18217 5.80055 13.0096 7.44481 14.104 3.44823 numMergedOcc 0
43 mol 168 unq 2 iso 1 dist 8.18217 7.44481 14.104 5.80055 13.0096 3.44823 numMergedOcc 0
44 mol 168 unq 3 iso 0 dist 5.51167 5.64732 9.99868 5.52214 6.91388 6.37254 numMergedOcc 0
45 mol 168 unq 3 iso 1 dist 5.51167 5.52214 6.91388 5.64732 9.99868 6.37254 numMergedOcc 0
46 mol 168 unq 4 iso 0 dist 5.51167 5.64732 9.99868 5.80055 3.5168 8.38976 numMergedOcc 0
47 mol 168 unq 4 iso 1 dist 5.51167 5.80055 3.5168 5.64732 9.99868 8.38976 numMergedOcc 0
48 mol 168 unq 5 iso 0 dist 5.51167 5.64732 9.99868 7.44481 5.43054 8.62142 numMergedOcc 0
49 mol 168 unq 5 iso 1 dist 5.51167 7.44481 5.43054 5.64732 9.99868 8.62142 numMergedOcc 0
50 mol 168 unq 4 iso 0 dist 5.51167 5.52214 6.91388 5.80055 3.5168 6.81049 numMergedOcc 0
51 mol 168 unq 4 iso 1 dist 5.51167 5.80055 3.5168 5.52214 6.91388 6.81049 numMergedOcc 0
52 mol 168 unq 5 iso 0 dist 5.51167 5.52214 6.91388 7.44481 5.43054 5.50898 numMergedOcc 0
53 mol 168 unq 5 iso 1 dist 5.51167 7.44481 5.43054 5.52214 6.91388 5.50898 numMergedOcc 0
54 mol 168 unq 5 iso 0 dist 5.51167 5.80055 3.5168 7.44481 5.43054 3.44823 numMergedOcc 0
55 mol 168 unq 5 iso 1 dist 5.51167 7.44481 5.43054 5.80055 3.5168 3.44823 numMergedOcc 0
56 mol 233 unq 0 iso 0 dist 8.93995 9.8976 5.64458 7.97911 9.3215 6.61303 numMergedOcc 0
57 mol 233 unq 0 iso 1 dist 8.93995 7.97911 9.3215 9.8976 5.64458 6.61303 numMergedOcc 0
58 mol 244 unq 0 iso 0 dist 8.93589 9.45199 4.99117 9.07512 7.28456 11.6206 numMergedOcc 0
59 mol 244 unq 0 iso 1 dist 8.93589 9.07512 7.28456 9.45199 4.99117 11.6206 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 8.9221 6.39822 3.14784 5.36518 5.95721 3.00605 numMergedOcc 0
61 mol 266 unq 0 iso 1 dist 8.9221 5.36518 5.95721 6.39822 3.14784 3.00605 numMergedOcc 0
62 mol 266 unq 1 iso 0 dist 9.51145 9.90506 3.68488 8.61077 3.14784 5.76129 numMergedOcc 0
63 mol 266 unq 1 iso 1 dist 9.51145 8.61077 3.14784 9.90506 3.68488 5.76129 numMergedOcc 0
64 mol 266 unq 2 iso 0 dist 9.51145 9.90506 3.68488 9.11585 5.95721 8.75066 numMergedOcc 0
65 mol 266 unq 2 iso 1 dist 9.51145 9.11585 5.95721 9.90506 3.68488 8.75066 numMergedOcc 0
66 mol 266 unq 2 iso 0 dist 9.51145 8.61077 3.14784 9.11585 5.95721 3.00605 numMergedOcc 0
67 mol 266 unq 2 iso 1 dist 9.51145 9.11585 5.95721 8.61077 3.14784 3.00605 numMergedOcc 0
68 mol 287 unq 0 iso 0 dist 5.32839 7.82157 5.96434 8.39976 7.33038 13.001 numMergedOcc 0
69 mol 287 unq 0 iso 1 dist 5.32839 8.39976 7.33038 7.82157 5.96434 13.001 numMergedOcc 0
70 mol 288 unq 0 iso 0 dist 5.32839 7.82157 5.96434 8.39976 7.33038 13.001 numMergedOcc 0
71 mol 288 unq 0 iso 1 dist 5.32839 8.39976 7.33038 7.82157 5.96434 13.001 numMergedOcc 0
72 mol 289 unq 0 iso 0 dist 5.32839 7.82157 5.96434 8.39976 7.33038 13.001 numMergedOcc 0
73 mol 289 unq 0 iso 1 dist 5.32839 8.39976 7.33038 7.82157 5.96434 13.001 numMergedOcc 0
