0 mol 7 unq 0 iso 0 dist 8.80895 6.70503 5.51421 14.9053 10.6104 8.41585 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.50539 10.0986 8.40051 14.5784 13.466 7.57578 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.50539 10.0986 8.40051 13.3609 14.4191 7.17969 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.50539 5.55893 8.6396 6.34277 5.8503 5.04899 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.83402 14.4516 8.88413 8.46842 5.59268 7.17969 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.83402 13.2677 9.87281 9.14728 6.17631 7.31767 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.83402 13.7276 7.63928 9.14728 6.17631 6.03987 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.0101 9.08836 6.4551 13.5857 8.78063 6.97941 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.52207 9.15202 6.58793 16.8442 10.1919 7.95579 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.52207 9.15202 6.58793 14.4276 9.21014 6.19965 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 9.52207 9.15202 6.58793 10.8594 7.83419 7.66905 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.66459 4.31214 9.72689 12.6459 13.7794 9.36773 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.31509 9.62604 5.9747 10.7852 4.75138 5.08437 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 6.31509 9.62604 5.9747 12.036 10.4417 6.48948 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 6.31509 9.62604 5.9747 15.5963 11.3628 6.10456 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 6.14782 9.62604 4.50572 10.7852 6.88489 5.08437 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 6.14782 9.62604 4.50572 12.036 9.63267 6.48948 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 6.14782 9.62604 4.50572 15.5963 9.82583 6.10456 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 4.76012 8.48942 6.38163 12.9478 8.61575 9.61051 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 4.76012 8.48942 6.38163 13.6244 10.0961 5.83384 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.87066 7.69184 6.31125 14.5984 5.6098 8.40312 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 9.87066 7.69184 6.31125 12.0425 4.29914 7.12972 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 9.87066 7.69184 6.31125 6.44766 5.59449 6.85062 numMergedOcc 0
23 mol 131 unq 3 iso 0 dist 7.56833 7.91807 6.31125 7.49404 5.6098 8.40312 numMergedOcc 0
24 mol 131 unq 4 iso 0 dist 7.56833 7.91807 6.31125 10.6353 4.29914 7.12972 numMergedOcc 0
25 mol 131 unq 5 iso 0 dist 7.56833 7.91807 6.31125 11.6897 5.59449 6.85062 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.22824 11.4517 9.55556 12.199 11.9294 8.94367 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.22824 11.4517 9.55556 9.11672 6.36794 9.86662 numMergedOcc 0
28 mol 180 unq 0 iso 0 dist 5.78414 5.31 5.80441 10.5251 9.82186 9.62337 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 5.07395 13.0116 8.62103 8.91192 3.84723 6.18308 numMergedOcc 0
30 mol 210 unq 1 iso 0 dist 9.35577 17.7106 8.62103 12.7025 3.84723 6.18308 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 6.17749 12.5625 7.85877 8.81925 4.82768 7.21333 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.17234 12.61 8.6537 15.3414 8.65216 8.22528 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 8.17234 12.61 8.6537 14.7537 10.7439 7.03423 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 8.17234 6.23286 5.57702 9.67544 6.21233 9.87838 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 8.15743 5.08111 9.29752 6.94983 9.60401 8.27212 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 6.28725 4.94699 7.86368 12.0771 12.0816 9.45496 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 6.28725 4.94699 7.86368 9.5181 6.94762 6.7625 numMergedOcc 0
38 mol 234 unq 2 iso 0 dist 5.67249 5.19951 7.46434 13.4078 13.0285 8.41436 numMergedOcc 0
39 mol 234 unq 3 iso 0 dist 5.67249 5.19951 7.46434 12.7045 13.9912 8.92474 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 5.40329 12.338 9.89665 6.0087 4.38595 6.84306 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 5.40329 12.338 9.89665 12.1533 11.247 7.68742 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 5.40329 5.81354 9.05929 6.67907 4.32403 8.04248 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 5.40329 5.81354 9.05929 6.0087 4.38595 8.35971 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.77491 6.2683 6.24928 12.1817 5.33567 6.57393 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 6.84909 11.634 9.30668 6.87804 8.04474 8.2734 numMergedOcc 0
