0 mol 76 unq 0 iso 0 dist 7.36475 8.53213 4.83274 5.66392 6.97941 10.2219 8.76407 9.49449 13.8036 6.06861 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 7.36475 5.28721 7.89214 5.66392 6.97941 7.74851 8.76407 9.49449 6.63393 6.06861 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.71603 14.8338 7.76275 9.86323 9.36773 13.1838 11.6458 9.2603 8.71166 6.95868 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 8.71603 14.8338 7.76275 5.3018 8.31336 12.6939 11.6458 9.2603 8.71166 6.97239 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 8.5778 15.9627 7.97208 10.2414 6.54501 12.5576 17.082 8.6355 6.30187 10.1448 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 8.5778 15.9627 7.97208 13.5276 6.49416 9.52819 17.082 8.6355 6.30187 5.41704 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 9.56095 4.62955 7.28355 6.64179 6.23493 4.8645 12.9022 7.16254 10.0058 6.3845 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 9.56095 4.62955 7.28355 6.64179 6.23493 4.8645 10.5066 9.86313 10.5375 5.86939 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 11.5989 7.10633 13.4646 10.8926 5.90931 11.695 5.09262 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 9.65951 6.79211 7.7292 9.99471 8.51516 9.54287 10.8926 5.90931 11.695 12.9483 numMergedOcc 0
10 mol 204 unq 2 iso 0 dist 9.14829 12.0168 7.7292 6.73339 7.10633 13.4646 5.63477 5.90931 11.695 5.09262 numMergedOcc 0
11 mol 204 unq 3 iso 0 dist 9.14829 12.0168 7.7292 13.2127 8.51516 9.54287 5.63477 5.90931 11.695 12.9483 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 11.401 6.97182 13.377 6.16485 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 6.39677 6.1175 9.36638 11.5712 numMergedOcc 0
14 mol 214 unq 2 iso 0 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 11.401 6.97182 13.377 5.33565 numMergedOcc 0
15 mol 214 unq 3 iso 0 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 6.39677 6.1175 9.36638 5.06792 numMergedOcc 0
16 mol 214 unq 4 iso 0 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 11.401 6.97182 13.377 8.47007 numMergedOcc 0
17 mol 214 unq 5 iso 0 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 6.39677 6.1175 9.36638 12.8334 numMergedOcc 0
18 mol 214 unq 6 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 11.401 6.97182 8.07861 6.16485 numMergedOcc 0
19 mol 214 unq 7 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 6.39677 6.1175 10.2576 11.5712 numMergedOcc 0
20 mol 214 unq 8 iso 0 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 11.401 6.97182 8.07861 5.33565 numMergedOcc 0
21 mol 214 unq 9 iso 0 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 6.39677 6.1175 10.2576 5.06792 numMergedOcc 0
22 mol 214 unq 10 iso 0 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 11.401 6.97182 8.07861 8.47007 numMergedOcc 0
23 mol 214 unq 11 iso 0 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 6.39677 6.1175 10.2576 12.8334 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.05754 13.2001 8.9077 15.9524 9.23153 10.6943 9.9115 6.84247 10.4277 6.7067 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 9.05754 13.2001 8.9077 15.9524 9.23153 10.6943 5.53308 6.99002 12.6281 15.9568 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 9.05754 13.2001 8.9077 10.0641 8.24498 15.396 9.9115 6.84247 10.4277 6.05129 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 9.05754 13.2001 8.9077 10.0641 8.24498 15.396 5.53308 6.99002 12.6281 11.1321 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.81925 11.7913 8.69148 9.75789 8.01589 6.52189 4.95108 6.82208 8.62626 4.8892 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 8.81925 11.7913 8.69148 12.7799 7.7699 5.33282 4.95108 6.82208 8.62626 11.0074 numMergedOcc 0
30 mol 222 unq 2 iso 0 dist 8.81925 11.7913 8.69148 12.5625 7.21333 9.97859 4.95108 6.82208 8.62626 12.2813 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 9.3775 7.17676 11.4732 11.8759 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 4.59056 6.68463 14.1057 9.07822 numMergedOcc 0
33 mol 236 unq 2 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 9.3775 7.17676 11.4732 11.3552 numMergedOcc 0
34 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 4.59056 6.68463 14.1057 11.6837 numMergedOcc 0
35 mol 236 unq 4 iso 0 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 9.3775 7.17676 11.4732 6.04825 numMergedOcc 0
36 mol 236 unq 5 iso 0 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 4.59056 6.68463 14.1057 8.8265 numMergedOcc 0
37 mol 236 unq 6 iso 0 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 9.3775 7.17676 11.4732 12.6468 numMergedOcc 0
38 mol 236 unq 7 iso 0 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 4.59056 6.68463 14.1057 5.80136 numMergedOcc 0
39 mol 236 unq 8 iso 0 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 9.3775 7.17676 11.4732 6.40312 numMergedOcc 0
40 mol 236 unq 9 iso 0 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 4.59056 6.68463 14.1057 6.2568 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 9.75753 12.5292 8.53729 15.0268 9.02271 16.1265 12.2787 7.19465 15.6651 7.92528 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 9.75753 8.23358 8.07341 15.0268 9.02271 16.581 12.2787 7.19465 14.0411 7.92528 numMergedOcc 0
43 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 12.2532 9.8993 7.38126 9.95978 8.76347 10.4141 7.54851 numMergedOcc 0
44 mol 276 unq 1 iso 0 dist 6.97104 8.68481 5.30976 5.58984 6.87396 6.39319 9.95978 8.76347 10.4141 6.4102 numMergedOcc 0
45 mol 276 unq 2 iso 0 dist 8.63281 7.83895 5.30976 12.388 9.8993 7.38126 12.5917 8.76347 10.4141 7.54851 numMergedOcc 0
46 mol 276 unq 3 iso 0 dist 8.63281 7.83895 5.30976 6.58819 6.87396 6.39319 12.5917 8.76347 10.4141 6.4102 numMergedOcc 0
