0 mol 30 unq 0 iso 0 dist 3.68549 8.3224 6.54878 4.1735 7.47342 9.81709 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 3.68549 8.71602 5.62773 4.1735 7.47342 12.45 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 3.68549 7.54379 4.20285 4.1735 7.47342 11.4464 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 7.62383 9.79757 8.39998 5.3727 8.94633 12.8927 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 5.84326 7.07124 6.15355 6.3873 9.77018 5.91948 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 8.83086 6.68311 9.26417 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.48831 9.20886 7.07356 5.50284 6.7212 5.49421 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.39178 9.20886 5.84044 5.50284 9.08821 5.49421 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 9.98366 5.57265 10.7475 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 9.29446 8.56119 9.76194 8.55415 7.05258 14.2104 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 5.63037 9.32256 9.06034 3.72385 7.35763 12.563 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 8.38008 9.84673 13.986 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 15.3293 8.84523 13.0202 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 13.8299 8.84523 13.0202 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 12.3347 5.57904 17.5459 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.42271 6.14652 12.3479 12.3347 5.57904 15.3301 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 6.44195 8.59532 4.55687 9.05948 8.34737 6.91511 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 5.21803 9.71155 5.65603 4.46061 8.46796 13.3009 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.95233 7.64563 6.45316 6.40811 8.2088 9.59895 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 5.75801 8.8557 10.3383 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 5.75801 8.8557 8.3932 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 6.88694 9.90415 7.22525 5.75801 5.00457 10.3383 numMergedOcc 0
22 mol 229 unq 3 iso 0 dist 6.88694 6.92268 4.92403 5.75801 5.00457 8.3932 numMergedOcc 0
23 mol 229 unq 4 iso 0 dist 8.53615 5.96615 5.70473 11.8915 8.8557 10.3383 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.57253 8.1692 5.42461 4.97762 9.95045 7.53576 numMergedOcc 0
