0 mol 2 unq 0 iso 0 dist 6.60948 10.7144 6.52386 10.0512 9.74371 14.1164 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.10226 4.24307 5.77374 10.5313 8.0166 9.33944 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.80034 4.24307 8.57437 6.73272 9.67498 10.0257 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.80034 4.24307 8.57437 10.5313 9.32945 9.33944 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.98876 6.08419 6.97361 6.70235 5.61016 6.46237 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 6.29966 7.65804 5.52402 11.6785 9.32474 4.2179 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 6.29966 9.35984 6.79804 11.6785 9.32474 10.5919 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 9.31725 14.3699 5.52402 18.4744 9.32474 4.2179 numMergedOcc 0
8 mol 108 unq 3 iso 0 dist 9.31725 11.9597 6.79804 18.4744 9.32474 10.5919 numMergedOcc 0
9 mol 108 unq 4 iso 0 dist 9.57358 13.8903 5.52402 17.9911 9.32474 4.2179 numMergedOcc 0
10 mol 108 unq 5 iso 0 dist 9.57358 13.7036 6.79804 17.9911 9.32474 10.5919 numMergedOcc 0
11 mol 108 unq 6 iso 0 dist 5.38329 4.85222 5.52402 8.02422 9.32474 4.2179 numMergedOcc 0
12 mol 108 unq 7 iso 0 dist 5.38329 10.7411 6.79804 8.02422 9.32474 10.5919 numMergedOcc 0
13 mol 108 unq 8 iso 0 dist 7.62421 4.85222 7.57593 8.02422 8.80334 4.2179 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.05734 9.11986 5.4772 7.27279 8.94995 6.22373 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 9.05734 9.29572 7.84607 7.27279 8.94995 7.99353 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 8.3311 9.11877 7.252 13.2828 7.30965 13.2525 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.74423 11.9796 7.252 4.2039 7.30965 13.2525 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 9.62606 14.9659 8.79299 10.9243 6.01666 4.10975 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.98518 10.1177 8.65696 9.07015 8.98362 9.42128 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 9.3888 4.80059 8.65696 5.58779 8.98362 9.42128 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 5.59164 6.16765 9.46728 4.63444 5.57184 4.13744 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 6.86905 8.46302 8.20243 5.98533 5.33462 6.12122 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.08789 4.88701 7.03809 7.41755 9.58767 9.0218 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 6.62375 13.2407 8.22083 6.73 6.25315 7.82713 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 8.42116 12.2428 9.02271 15.8732 8.98346 6.69682 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 8.53984 9.93273 9.02271 14.5073 8.98346 6.69682 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.13376 11.3955 7.97113 15.4511 8.91916 6.92619 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.13376 9.8442 8.38479 15.4511 8.91916 11.3266 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.23807 3.96435 8.05522 11.8473 7.61232 11.7681 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 9.23807 13.2227 9.8799 11.8473 7.61232 4.93509 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 8.49619 12.1779 8.05522 9.06135 7.61232 11.7681 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 8.49619 13.6237 9.8799 9.06135 7.61232 4.93509 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 8.51073 4.79056 7.10723 8.24036 7.02503 9.13465 numMergedOcc 0
34 mol 280 unq 1 iso 0 dist 8.51073 4.79056 7.10723 14.358 9.18164 14.2183 numMergedOcc 0
35 mol 280 unq 2 iso 0 dist 8.51073 12.0649 6.8664 8.24036 7.02503 7.59724 numMergedOcc 0
36 mol 280 unq 3 iso 0 dist 8.51073 12.0649 6.8664 14.358 9.18164 7.88431 numMergedOcc 0
37 mol 280 unq 4 iso 0 dist 6.30852 4.79056 8.01368 8.34793 9.05509 13.0497 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 5.78449 3.85698 8.80555 5.96063 7.88405 9.35698 numMergedOcc 0
39 mol 283 unq 1 iso 0 dist 5.78449 7.85589 8.80418 5.96063 7.88405 6.27944 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 5.47073 5.42154 8.82869 5.29391 5.76337 4.75799 numMergedOcc 0
41 mol 294 unq 1 iso 0 dist 5.47073 5.42154 8.82869 12.3563 8.60441 11.9879 numMergedOcc 0
