0 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 8.50539 5.8503 8.6396 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.40763 6.7276 5.04899 13.3161 5.8503 8.6396 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.46842 14.4516 7.17969 8.83402 5.59268 8.88413 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 11.71 4.18584 7.19021 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.96797 5.84852 7.2846 11.71 9.0702 7.19021 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 11.3434 10.7219 5.97635 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.47132 9.86595 7.17396 13.108 6.8958 7.7978 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 6.47132 9.86595 7.17396 11.9493 5.85228 9.55751 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 11.3495 13.7794 9.72689 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 8.71603 9.86323 9.36773 10.5126 4.0486 7.74197 numMergedOcc 0
10 mol 88 unq 2 iso 0 dist 8.71603 5.3018 8.31336 10.5126 4.0486 7.86537 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.14057 7.39819 5.83409 10.6218 4.8042 7.75811 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 10.6138 4.36935 8.89481 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 9.81252 5.61542 7.35754 13.0964 4.1386 9.44713 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 7.56833 5.6098 6.31125 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 9.87066 5.59449 6.31125 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.85025 13.8058 8.00618 16.8481 9.73435 5.86531 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.81925 12.5625 7.21333 6.17749 4.82768 7.85877 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.67544 6.23286 9.87838 8.17234 6.21233 5.57702 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 8.15743 9.60401 9.29752 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.5181 4.94699 6.7625 6.28725 6.94762 7.86368 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 6.67907 5.81354 8.04248 5.40329 4.32403 9.05929 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 6.0087 12.338 6.84306 5.40329 4.38595 9.89665 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 6.0087 12.431 9.99038 15.3719 11.2013 5.66569 numMergedOcc 0
24 mol 236 unq 3 iso 0 dist 6.0087 12.431 9.99038 18.1814 15.1664 6.11137 numMergedOcc 0
25 mol 236 unq 4 iso 0 dist 6.0087 5.81354 8.35971 5.40329 4.38595 9.05929 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.94587 4.3284 6.57393 12.9116 10.3859 9.13537 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.09166 6.74773 6.22714 16.1538 12.2428 9.66555 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.09166 6.74773 6.22714 14.5718 8.66185 8.67205 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 13.5097 6.48867 5.73834 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 6.87804 11.634 8.2734 6.84909 8.04474 9.30668 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 6.07571 8.66797 8.2734 10.1584 8.04474 9.30668 numMergedOcc 0
