0 mol 16 unq 0 iso 0 dist 6.32791 11.2652 9.04834 5.28404 4.7319 6.05535 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 5.67627 5.44083 9.06397 11.4974 9.0709 12.8917 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.47132 5.87975 6.46655 9.86595 7.17396 8.94845 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.47132 5.87975 6.46655 10.2137 9.21998 6.32263 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.36475 8.53213 4.83274 5.66392 6.97941 10.2219 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.36475 5.28721 7.89214 5.66392 6.97941 7.74851 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 8.71603 14.8338 7.76275 9.86323 9.36773 13.1838 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 8.71603 14.8338 7.76275 5.3018 8.31336 12.6939 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.5136 7.53046 9.40559 7.08612 7.27724 13.018 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.5136 7.53046 9.40559 11.085 8.03644 11.8978 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 5.79411 12.0088 9.0361 6.03768 7.36792 7.49575 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.13413 9.5263 9.43616 9.79513 7.71338 10.746 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.5778 15.9627 7.97208 10.2414 6.54501 12.5576 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.5778 15.9627 7.97208 13.5276 6.49416 9.52819 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.56095 4.62955 7.28355 6.64179 6.23493 4.8645 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 7.21035 8.31643 9.36307 8.27436 9.31746 9.72559 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.47189 3.91816 7.45401 5.48717 7.54065 6.8549 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 11.5989 7.10633 13.4646 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.65951 6.79211 7.7292 9.99471 8.51516 9.54287 numMergedOcc 0
19 mol 204 unq 2 iso 0 dist 9.14829 12.0168 7.7292 6.73339 7.10633 13.4646 numMergedOcc 0
20 mol 204 unq 3 iso 0 dist 9.14829 12.0168 7.7292 13.2127 8.51516 9.54287 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 numMergedOcc 0
23 mol 214 unq 2 iso 0 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 numMergedOcc 0
24 mol 214 unq 3 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 numMergedOcc 0
25 mol 214 unq 4 iso 0 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 numMergedOcc 0
26 mol 214 unq 5 iso 0 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.05754 13.2001 8.9077 15.9524 9.23153 10.6943 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 9.05754 13.2001 8.9077 10.0641 8.24498 15.396 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.81925 11.7913 8.69148 9.75789 8.01589 6.52189 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.81925 11.7913 8.69148 12.7799 7.7699 5.33282 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 8.81925 11.7913 8.69148 12.5625 7.21333 9.97859 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 6.94983 12.1757 7.47238 5.08111 8.27212 10.134 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 6.0087 15.6486 9.97357 11.2678 8.03456 8.3919 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 6.0087 15.6486 9.97357 12.338 6.84306 4.88785 numMergedOcc 0
35 mol 236 unq 2 iso 0 dist 6.0087 15.6486 9.97357 12.431 9.99038 10.2557 numMergedOcc 0
36 mol 236 unq 3 iso 0 dist 6.0087 15.6486 9.97357 8.71933 9.78037 14.6755 numMergedOcc 0
37 mol 236 unq 4 iso 0 dist 6.0087 15.6486 9.97357 5.81354 8.35971 16.5918 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 5.27188 6.3252 7.80525 5.34337 7.32223 4.84708 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 9.75753 12.5292 8.53729 15.0268 9.02271 16.1265 numMergedOcc 0
40 mol 253 unq 2 iso 0 dist 9.75753 8.23358 8.07341 15.0268 9.02271 16.581 numMergedOcc 0
41 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 12.2532 9.8993 7.38126 numMergedOcc 0
42 mol 276 unq 1 iso 0 dist 6.97104 8.68481 5.30976 5.58984 6.87396 6.39319 numMergedOcc 0
43 mol 276 unq 2 iso 0 dist 8.63281 7.83895 5.30976 12.388 9.8993 7.38126 numMergedOcc 0
44 mol 276 unq 3 iso 0 dist 8.63281 7.83895 5.30976 6.58819 6.87396 6.39319 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 9.60619 10.5154 5.17586 9.96126 9.70696 5.9229 numMergedOcc 0
