0 mol 52 unq 0 iso 0 dist 5.77748 4.98024 5.26018 10.5394 9.26324 7.18176 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.62062 9.99897 7.1203 12.5449 6.22409 7.18176 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.33436 6.01116 7.1203 9.28632 6.22409 7.18176 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.36132 10.5573 9.70415 15.7485 10.4362 8.76003 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 5.77278 4.8416 9.37094 10.0227 13.9612 7.04352 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 5.77278 4.8416 9.37094 5.35373 4.64762 8.1114 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 5.97144 10.0936 6.7212 10.2171 5.00053 7.321 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.15006 8.69179 6.09906 16.4466 12.0756 7.87814 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.64939 9.86989 6.56728 14.3067 8.46482 7.22293 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.72842 6.20162 5.70279 10.2102 11.8754 7.75343 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.58293 6.03768 9.84673 10.9627 7.6114 9.94856 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.06422 12.3674 8.88255 9.73763 10.06 9.63176 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.68237 10.553 7.83582 16.6663 14.4791 8.19104 numMergedOcc 0
13 mol 140 unq 1 iso 0 dist 9.68237 8.69462 9.68229 11.1483 5.35291 6.95323 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.8444 4.3284 6.06422 9.56125 5.58989 5.38637 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.73405 5.27652 4.87108 12.2328 5.61491 7.49471 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 9.73405 6.88036 7.64276 9.56125 13.9044 6.55759 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.73405 6.88036 7.64276 13.2431 13.3748 7.02475 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 9.73405 6.88036 7.64276 14.0097 11.6924 7.67322 numMergedOcc 0
19 mol 238 unq 5 iso 0 dist 9.73405 6.88036 7.64276 12.2328 5.61491 7.19008 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 15.3307 13.7563 9.09992 numMergedOcc 0
21 mol 272 unq 1 iso 0 dist 8.1095 6.52684 7.31993 10.8928 5.91451 6.16449 numMergedOcc 0
