0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 15.7188 6.73162 11.9719 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 7.15141 9.06004 8.39877 6.1939 7.00648 12.6778 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 7.15141 9.34266 5.85188 6.1939 7.00648 10.6106 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 7.06199 8.98545 3.53534 6.56884 7.41857 9.28732 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 5.59128 5.02241 12.1135 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 8.90147 9.60641 10.9894 6.71911 16.0853 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 6.64164 9.5648 12.8624 6.90242 8.62646 11.4453 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 12.8521 8.61331 11.1213 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 5.37421 6.73313 12.0055 numMergedOcc 0
9 mol 182 unq 1 iso 0 dist 7.8621 7.01577 6.1548 13.0784 6.73313 12.8588 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 13.2566 5.90931 9.58537 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 6.82185 7.86605 4.71943 10.693 6.0965 10.4143 numMergedOcc 0
12 mol 213 unq 1 iso 0 dist 6.82185 7.86605 4.71943 12.9129 9.59129 14.2472 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.52981 8.5458 9.81852 10.2333 7.18041 16.6322 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 5.52981 8.5458 9.81852 6.48676 7.17547 10.71 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 6.22077 8.5458 3.61669 6.21463 9.50586 12.8579 numMergedOcc 0
16 mol 218 unq 3 iso 0 dist 6.22077 8.5458 3.61669 6.48676 7.13323 10.71 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.29203 9.59909 8.71924 11.091 9.90142 8.54425 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 7.62771 9.59909 4.56594 12.4266 9.68513 12.9803 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 7.62771 9.59909 4.56594 11.091 5.9216 8.54425 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 7.80166 9.59909 14.2741 12.4266 9.29858 12.9803 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.93507 6.32658 5.57138 5.63238 8.96876 10.5843 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 5.63238 8.83735 10.5843 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 10.6548 7.19465 15.0416 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 6.67645 6.34034 9.47153 numMergedOcc 0
25 mol 265 unq 1 iso 0 dist 4.96568 7.71301 7.71667 6.67645 6.34034 8.03604 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 6.65024 9.02882 4.50378 6.25775 9.58517 9.08606 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 numMergedOcc 0
29 mol 287 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 numMergedOcc 0
30 mol 287 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 numMergedOcc 0
33 mol 288 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 numMergedOcc 0
34 mol 288 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 numMergedOcc 0
37 mol 289 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 numMergedOcc 0
38 mol 289 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 9.6958 5.00754 9.80923 5.66912 7.34205 6.25334 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 9.6958 6.70519 14.2286 5.66912 7.34205 9.24869 numMergedOcc 0
