0 mol 8 unq 0 iso 0 dist 8.80278 8.76702 9.60336 6.27477 13.4423 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.80278 6.27477 13.4423 8.76702 9.60336 8.02605 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.73998 8.76702 13.0138 6.27477 5.95251 8.02605 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 8.73998 6.27477 5.95251 8.76702 13.0138 8.02605 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 8.43828 5.98566 9.18814 numMergedOcc 0
5 mol 36 unq 0 iso 1 dist 4.10339 8.43828 5.98566 7.34019 9.45335 9.18814 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 6.85083 6.47721 9.49235 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 5.8166 6.85083 6.47721 8.97292 6.34748 9.49235 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 6.47468 8.97292 13.0793 6.85083 8.64013 9.49235 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 6.47468 6.85083 8.64013 8.97292 13.0793 9.49235 numMergedOcc 0
10 mol 66 unq 0 iso 0 dist 7.1612 8.04639 6.43842 7.69019 5.95767 9.61194 numMergedOcc 0
11 mol 66 unq 0 iso 1 dist 7.1612 7.69019 5.95767 8.04639 6.43842 9.61194 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.06543 8.47567 5.59517 numMergedOcc 0
13 mol 114 unq 0 iso 1 dist 5.66196 6.06543 8.47567 5.87387 5.24877 5.59517 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.95717 9.64856 7.14559 6.38977 11.3296 7.50824 numMergedOcc 0
15 mol 131 unq 0 iso 1 dist 8.95717 6.38977 11.3296 9.64856 7.14559 7.50824 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.95717 9.64856 7.14559 9.69757 15.665 11.0599 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 8.95717 9.69757 15.665 9.64856 7.14559 11.0599 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 8.95717 6.38977 11.3296 9.69757 15.665 5.55373 numMergedOcc 0
19 mol 131 unq 1 iso 1 dist 8.95717 9.69757 15.665 6.38977 11.3296 5.55373 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 8.48641 11.8999 4.35917 numMergedOcc 0
21 mol 132 unq 0 iso 1 dist 7.14447 8.48641 11.8999 9.0339 11.6877 4.35917 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 7.14447 9.0339 11.6877 6.23573 5.77316 13.624 numMergedOcc 0
23 mol 132 unq 1 iso 1 dist 7.14447 6.23573 5.77316 9.0339 11.6877 13.624 numMergedOcc 0
24 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 6.23573 5.77316 12.1165 numMergedOcc 0
25 mol 132 unq 1 iso 1 dist 7.14447 6.23573 5.77316 8.48641 11.8999 12.1165 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 7.38138 11.2162 8.05787 numMergedOcc 0
27 mol 148 unq 0 iso 1 dist 8.60157 7.38138 11.2162 9.7168 5.77745 8.05787 numMergedOcc 0
28 mol 148 unq 1 iso 0 dist 6.72591 9.7168 12.9245 7.38138 10.5987 8.05787 numMergedOcc 0
29 mol 148 unq 1 iso 1 dist 6.72591 7.38138 10.5987 9.7168 12.9245 8.05787 numMergedOcc 0
30 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 7.34423 11.2566 8.10457 numMergedOcc 0
31 mol 150 unq 0 iso 1 dist 8.59359 7.34423 11.2566 9.61132 5.71213 8.10457 numMergedOcc 0
32 mol 150 unq 1 iso 0 dist 6.80192 9.61132 12.8684 7.34423 10.4881 8.10457 numMergedOcc 0
33 mol 150 unq 1 iso 1 dist 6.80192 7.34423 10.4881 9.61132 12.8684 8.10457 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 9.18218 9.08864 7.43198 numMergedOcc 0
35 mol 227 unq 0 iso 1 dist 9.09371 9.18218 9.08864 9.93154 5.71921 7.43198 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 9.09371 9.93154 5.71921 6.18486 8.98613 9.51866 numMergedOcc 0
37 mol 227 unq 1 iso 1 dist 9.09371 6.18486 8.98613 9.93154 5.71921 9.51866 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 9.09371 9.18218 9.08864 6.18486 8.98613 4.48529 numMergedOcc 0
39 mol 227 unq 1 iso 1 dist 9.09371 6.18486 8.98613 9.18218 9.08864 4.48529 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 9.2521 13.931 14.0328 numMergedOcc 0
41 mol 238 unq 0 iso 1 dist 7.00773 9.2521 13.931 9.82174 9.4693 14.0328 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.00773 9.82174 9.4693 8.51359 15.2654 15.8898 numMergedOcc 0
43 mol 238 unq 1 iso 1 dist 7.00773 8.51359 15.2654 9.82174 9.4693 15.8898 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 8.51359 15.2654 6.85126 numMergedOcc 0
45 mol 238 unq 1 iso 1 dist 7.00773 8.51359 15.2654 9.2521 13.931 6.85126 numMergedOcc 0
46 mol 241 unq 0 iso 0 dist 8.89382 8.98617 4.68085 6.74552 10.8729 8.13129 numMergedOcc 0
47 mol 241 unq 0 iso 1 dist 8.89382 6.74552 10.8729 8.98617 4.68085 8.13129 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 9.34738 6.04412 4.86771 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 9.33299 9.34738 6.04412 6.49599 7.32419 4.86771 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 9.47382 12.7868 6.96053 numMergedOcc 0
51 mol 259 unq 1 iso 1 dist 9.33299 9.47382 12.7868 6.49599 7.32419 6.96053 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.33299 9.34738 6.04412 9.47382 12.7868 7.64658 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 9.33299 9.47382 12.7868 9.34738 6.04412 7.64658 numMergedOcc 0
54 mol 259 unq 2 iso 0 dist 9.49732 6.49599 11.0067 9.34738 11.569 4.86771 numMergedOcc 0
55 mol 259 unq 2 iso 1 dist 9.49732 9.34738 11.569 6.49599 11.0067 4.86771 numMergedOcc 0
56 mol 259 unq 3 iso 0 dist 9.49732 6.49599 11.0067 9.47382 6.18571 6.96053 numMergedOcc 0
57 mol 259 unq 3 iso 1 dist 9.49732 9.47382 6.18571 6.49599 11.0067 6.96053 numMergedOcc 0
58 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 9.47382 6.18571 7.64658 numMergedOcc 0
59 mol 259 unq 3 iso 1 dist 9.49732 9.47382 6.18571 9.34738 11.569 7.64658 numMergedOcc 0
60 mol 261 unq 0 iso 0 dist 9.0643 7.26647 6.80146 7.7309 9.00992 4.63549 numMergedOcc 0
61 mol 261 unq 0 iso 1 dist 9.0643 7.7309 9.00992 7.26647 6.80146 4.63549 numMergedOcc 0
62 mol 261 unq 1 iso 0 dist 7.4202 7.26647 12.9384 7.7309 11.479 4.63549 numMergedOcc 0
63 mol 261 unq 1 iso 1 dist 7.4202 7.7309 11.479 7.26647 12.9384 4.63549 numMergedOcc 0
64 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 6.24808 5.88008 8.84158 numMergedOcc 0
65 mol 276 unq 0 iso 1 dist 8.0652 6.24808 5.88008 7.11272 11.0506 8.84158 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 7.90792 7.94567 4.66602 numMergedOcc 0
67 mol 282 unq 0 iso 1 dist 7.28238 7.90792 7.94567 7.70229 6.17747 4.66602 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 7.3389 7.70229 13.1327 7.90792 11.2762 4.66602 numMergedOcc 0
69 mol 282 unq 1 iso 1 dist 7.3389 7.90792 11.2762 7.70229 13.1327 4.66602 numMergedOcc 0
70 mol 284 unq 0 iso 0 dist 9.75137 9.27402 5.36955 9.26573 10.6793 5.87439 numMergedOcc 0
71 mol 284 unq 0 iso 1 dist 9.75137 9.26573 10.6793 9.27402 5.36955 5.87439 numMergedOcc 0
