0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 13.8384 5.72491 5.44992 8.15894 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 17.8433 9.67579 4.74523 8.45544 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 16.4746 12.8323 9.87885 10.3237 7.88043 10.2446 8.15894 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.51421 10.6104 8.41585 16.4746 12.8323 9.87885 13 8.80762 12.3097 8.45544 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.54519 5.80023 7.36323 6.36381 5.50396 7.27472 4.36056 11.9933 10.0655 7.96195 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.11056 10.4744 8.86116 10.4056 5.11636 7.95042 5.36722 6.72502 6.58998 8.24948 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 12.266 5.41726 6.6263 15.4696 10.0649 7.05402 7.15901 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.266 5.41726 6.75943 15.4696 10.0649 5.48048 7.15901 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 8.89866 7.26086 7.32662 8.75597 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 15.0551 12.285 12.3881 9.18457 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 8.89866 7.26086 13.4985 8.75597 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 15.0551 12.285 7.89505 9.18457 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 18.6754 15.6191 13.9572 6.83746 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 15.0551 12.285 13.1975 9.14707 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 8.89866 7.26086 6.934 8.75597 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 15.0551 12.285 13.1975 9.18457 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 7.87523 7.26086 7.32662 8.75597 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 16.0082 12.285 12.3881 9.18457 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 7.87523 7.26086 13.4985 8.75597 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 16.0082 12.285 7.89505 9.18457 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 19.8338 15.6191 13.9572 6.83746 numMergedOcc 0
21 mol 98 unq 13 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 16.0082 12.285 13.1975 9.14707 numMergedOcc 0
22 mol 98 unq 14 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 7.87523 7.26086 6.934 8.75597 numMergedOcc 0
23 mol 98 unq 15 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 16.0082 12.285 13.1975 9.18457 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 6.31773 5.03039 6.04595 4.92962 5.72642 5.61704 8.4965 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.3555 7.41373 9.33094 8.2282 8.20836 9.4027 5.11043 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 8.2282 8.20836 5.12325 6.99345 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 8.2282 8.20836 5.12325 5.11043 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 12.3555 10.8635 9.33094 8.2282 10.873 9.4027 5.11043 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 8.2282 10.873 5.12325 6.99345 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 8.2282 10.873 5.12325 5.11043 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 8.78303 7.41373 9.33094 4.02705 8.20836 9.4027 5.11043 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 4.02705 8.20836 5.12325 6.99345 numMergedOcc 0
33 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 8.78303 7.41373 8.69531 4.02705 8.20836 5.12325 5.11043 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 12.027 4.78563 5.37047 5.82537 7.25673 9.23795 8.612 numMergedOcc 0
35 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 15.2644 10.4911 7.2238 7.1069 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.0918 5.39112 6.70693 15.2644 10.4911 5.59336 7.1069 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 16.8257 12.2278 10.5813 9.43618 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 12.1653 11.2809 10.7551 6.53286 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 12.2456 11.2809 10.7551 6.53286 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 13.3679 11.2809 10.7551 6.53286 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 20.8198 18.6283 13.1624 8.88763 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 14.2175 13.3923 7.34872 6.43209 numMergedOcc 0
43 mol 239 unq 2 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 12.8807 13.1682 8.9361 8.48769 numMergedOcc 0
