0 mol 16 unq 0 iso 0 dist 6.68517 6.65577 6.75381 5.65481 4.7319 5.50193 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 6.60191 8.46842 14.2406 7.57578 13.3513 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 6.60191 8.46842 15.6642 7.17969 14.4516 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 6.31237 6.3708 8.13248 6.26149 7.89459 4.83621 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.85583 9.58185 9.13413 4.38646 7.71338 9.79513 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 8.86938 13.8988 9.13413 4.9102 7.71338 9.79513 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.70016 17.7353 9.34456 13.2553 5.86073 4.83846 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.64107 4.97528 6.61066 4.82909 4.99221 6.06993 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.50575 4.97528 6.3982 6.68557 5.11551 5.29965 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 8.43116 10.0493 6.3982 4.96719 5.11551 5.29965 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.06555 12.8264 9.41521 7.75534 8.75408 11.2541 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 5.06555 12.8264 9.41521 5.61914 6.44653 8.90504 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.00172 11.693 7.85025 13.2145 6.29155 4.26332 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.00172 11.693 7.85025 15.719 6.80239 11.5948 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 9.00172 11.693 7.85025 14.0905 8.00618 13.8058 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 4.68975 4.68337 8.31743 9.30817 9.89303 10.2414 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 4.9155 4.68337 8.5778 9.30817 6.54501 10.2414 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 4.9155 4.68337 8.5778 10.879 6.49416 13.5276 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.49987 5.16288 8.5778 6.47843 6.54501 10.2414 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 8.49987 5.16288 8.5778 10.9399 6.49416 13.5276 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 9.42271 12.1816 8.5778 6.16353 6.54501 10.2414 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 9.42271 12.1816 8.5778 7.07625 6.49416 13.5276 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.77347 6.72843 5.47189 6.05728 7.54065 5.48717 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.70631 4.48352 9.00273 12.7195 8.56633 12.3192 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 7.70631 5.0414 7.19387 12.7195 8.56633 11.7609 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 8.14644 7.55963 9.05754 12.2116 9.23153 15.9524 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 8.14644 7.55963 9.05754 12.2916 8.24498 10.0641 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 7.57253 5.04399 6.94983 9.29407 8.27212 5.08111 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 5.77925 5.70162 6.0087 6.59536 8.03456 11.2678 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 5.77925 5.70162 6.0087 8.93012 6.84306 12.338 numMergedOcc 0
30 mol 236 unq 2 iso 0 dist 5.77925 5.70162 6.0087 12.1686 9.99038 12.431 numMergedOcc 0
31 mol 236 unq 3 iso 0 dist 5.77925 5.70162 6.0087 5.48757 9.78037 8.71933 numMergedOcc 0
32 mol 236 unq 4 iso 0 dist 5.77925 5.70162 6.0087 10.5925 8.35971 5.81354 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 9.39537 10.2639 9.94587 9.53107 6.57393 4.3284 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 8.97461 5.83394 9.09166 10.4685 6.22714 6.74773 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 8.97461 5.83394 9.09166 11.6506 7.31233 9.48707 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 8.82778 15.973 9.73858 11.4665 6.16342 7.43079 numMergedOcc 0
37 mol 253 unq 0 iso 0 dist 7.38315 5.43499 5.27188 10.6994 7.32223 5.34337 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.65233 5.92877 6.20796 7.78423 9.17653 6.9758 numMergedOcc 0
39 mol 264 unq 1 iso 0 dist 6.65233 9.60654 7.73693 7.78423 9.17653 5.00433 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 7.23956 13.4588 6.86014 15.6875 9.7748 4.83355 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 7.23956 6.34637 5.97073 15.6875 9.7748 11.2857 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 7.23956 6.5109 6.49176 15.6875 9.7748 14.4976 numMergedOcc 0
43 mol 278 unq 0 iso 0 dist 9.91518 17.7311 8.62414 12.8387 8.44326 12.2316 numMergedOcc 0
