0 mol 91 unq 0 iso 0 dist 7.47827 3.98211 9.30539 10.0227 4.73184 9.97813 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 8.91837 10.5258 7.02927 10.454 4.56372 5.54226 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 8.76613 5.45718 7.70232 10.1626 4.46691 6.5788 numMergedOcc 0
3 mol 117 unq 1 iso 0 dist 8.76613 6.25846 7.4671 10.1626 4.46691 6.2771 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.75558 9.62363 9.97343 13.7636 6.45283 9.38036 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 9.7168 6.57631 9.99156 11.886 5.38701 9.17462 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 9.7168 6.57631 9.99156 7.91749 6.77599 8.74878 numMergedOcc 0
7 mol 148 unq 2 iso 0 dist 9.7168 8.40891 8.18085 11.886 5.38701 5.75959 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 9.61132 6.56068 9.8656 11.782 5.46333 9.01668 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 9.61132 6.56068 9.8656 7.96309 6.74495 8.74018 numMergedOcc 0
10 mol 150 unq 2 iso 0 dist 9.61132 8.32178 7.94889 11.782 5.46333 5.4798 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 6.60477 5.44019 7.44629 11.4093 12.7437 6.12453 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 6.60477 5.44019 7.44629 15.2377 14.4866 9.87447 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.25528 15.4597 8.90963 18.3848 11.618 9.20617 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 6.31492 11.1247 7.09394 11.5665 6.45169 9.98182 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 6.31492 11.1247 7.09394 11.2241 6.1548 9.02127 numMergedOcc 0
16 mol 182 unq 2 iso 0 dist 7.8621 5.77163 7.09394 12.8805 6.45169 9.98182 numMergedOcc 0
17 mol 182 unq 3 iso 0 dist 7.8621 5.77163 7.09394 7.01577 6.1548 9.02127 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 5.80867 6.42799 6.34616 7.48253 4.27652 8.78623 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 9.4363 10.4394 6.34616 6.13687 4.27652 8.78623 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.36642 10.098 6.03688 12.0992 6.49049 5.59832 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 8.59262 14.201 7.75885 11.9973 3.56132 7.9416 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 6.82185 10.6201 7.37798 7.86605 4.71943 9.34602 numMergedOcc 0
23 mol 213 unq 1 iso 0 dist 6.82185 5.50169 7.73322 10.3304 4.67313 8.59946 numMergedOcc 0
24 mol 213 unq 2 iso 0 dist 6.82881 5.50169 8.14332 10.3304 7.49785 8.59946 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.42827 5.74889 5.48118 6.32658 10.3504 8.76518 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.22378 4.39424 7.21311 13.4029 11.9728 9.36974 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.18433 11.2038 6.78191 18.218 12.4957 7.74874 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.28096 12.4113 6.89451 10.1135 4.21609 7.99204 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.28096 12.4113 6.89451 10.1135 4.21609 7.99204 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.28096 12.4113 6.89451 10.1135 4.21609 7.99204 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 5.69465 11.7781 7.07965 12.892 7.22011 5.91617 numMergedOcc 0
