0 mol 26 unq 0 iso 0 dist 8.11402 3.99573 8.82012 9.6214 7.84204 12.8511 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.11402 14.3932 9.16962 9.6214 7.84204 15.962 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.86276 5.46279 8.30646 10.4124 7.03887 8.82915 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 5.86276 5.46279 8.30646 7.98347 5.36451 6.33118 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.86276 5.46279 8.30646 14.0883 9.28354 13.3135 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 8.16546 11.3763 8.30646 13.7086 7.03887 8.82915 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 8.16546 11.3763 8.30646 10.9209 5.36451 6.33118 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 8.16546 11.3763 8.30646 15.7494 9.28354 13.3135 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 5.42653 11.3925 8.39016 8.91067 6.18681 4.79453 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 5.42653 11.3925 8.39016 9.02213 9.33288 7.5298 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 5.42653 5.52097 6.99355 8.91067 6.18681 6.34112 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 5.42653 5.52097 6.99355 9.02213 9.33288 4.87139 numMergedOcc 0
12 mol 90 unq 4 iso 0 dist 8.71991 13.8549 8.39016 9.22808 6.18681 4.79453 numMergedOcc 0
13 mol 90 unq 5 iso 0 dist 8.71991 13.8549 8.39016 9.61403 9.33288 7.5298 numMergedOcc 0
14 mol 90 unq 6 iso 0 dist 8.71991 10.226 6.99355 9.22808 6.18681 6.34112 numMergedOcc 0
15 mol 90 unq 7 iso 0 dist 8.71991 10.226 6.99355 9.61403 9.33288 4.87139 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 6.65315 4.6558 8.67367 8.02524 9.51981 12.6805 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 9.69154 17.1306 8.99696 10.5705 9.6071 16.9912 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 9.69154 17.1306 8.99696 16.6946 9.77656 11.9685 numMergedOcc 0
19 mol 197 unq 2 iso 0 dist 9.49122 15.7335 8.99696 7.21941 9.77656 11.9685 numMergedOcc 0
20 mol 197 unq 3 iso 0 dist 9.49122 15.7335 8.99696 6.62989 9.6071 16.9912 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 6.74861 6.75833 7.46831 5.96128 9.86587 8.3225 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 6.74861 14.183 8.60247 5.96128 9.86587 16.4035 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.3853 10.228 8.14172 4.72232 8.71877 10.1977 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.3853 5.88292 6.77463 4.72232 8.71877 5.7648 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.54244 9.41321 5.24676 9.16813 5.85613 6.73995 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 7.54244 7.29128 8.09363 9.16813 5.85613 4.6374 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.59237 6.27066 7.04472 6.23875 9.53713 4.21609 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.59237 6.27066 7.04472 6.23875 9.53713 4.21609 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.59237 6.27066 7.04472 6.23875 9.53713 4.21609 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.15628 8.27402 7.34205 13.9077 9.33755 15.321 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 7.15628 8.27402 7.34205 12.9168 6.25334 9.80923 numMergedOcc 0
