0 mol 7 unq 0 iso 0 dist 7.38748 5.13744 8.77133 10.9229 6.15313 9.97624 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.91082 8.92262 6.56599 16.0204 12.6523 9.09091 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.09251 7.88306 9.11751 11.5902 7.11548 6.50647 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.66803 5.68492 5.1488 9.23947 8.95689 9.32552 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.85416 11.6323 5.1488 17.7697 8.95689 9.32552 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.90896 13.1044 6.96647 6.66506 5.00474 7.10439 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.61089 9.41403 8.17967 15.1365 9.40625 9.63599 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.64686 13.7118 8.17967 9.21479 9.40625 9.63599 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.90256 7.62644 9.53368 10.3471 4.99645 7.2268 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.90256 7.62644 9.53368 8.97589 6.39199 9.69219 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 9.90256 10.8096 6.54532 14.8963 5.42671 9.28624 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 9.90256 10.8096 6.54532 10.3471 4.99645 8.31175 numMergedOcc 0
12 mol 87 unq 4 iso 0 dist 7.57471 5.5768 9.53368 8.59105 4.99645 7.2268 numMergedOcc 0
13 mol 87 unq 5 iso 0 dist 7.57471 5.5768 9.53368 10.562 6.39199 9.69219 numMergedOcc 0
14 mol 87 unq 6 iso 0 dist 7.57471 4.56692 6.54532 11.8663 5.42671 9.28624 numMergedOcc 0
15 mol 87 unq 7 iso 0 dist 7.57471 4.56692 6.54532 8.59105 4.99645 8.31175 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.54778 5.84883 6.06039 15.2252 11.1547 9.83981 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 6.54778 10.9953 9.36502 15.2252 11.1547 6.13559 numMergedOcc 0
18 mol 114 unq 2 iso 0 dist 8.57909 6.14032 6.06039 10.9403 11.1547 9.83981 numMergedOcc 0
19 mol 114 unq 3 iso 0 dist 8.57909 5.47189 9.36502 10.9403 11.1547 6.13559 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 6.61973 10.3223 9.49798 9.2638 6.2875 7.35992 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 6.61973 12.8624 8.31955 9.2638 6.2875 6.49383 numMergedOcc 0
22 mol 148 unq 0 iso 0 dist 8.6953 6.43817 9.21934 6.86997 4.74651 8.73468 numMergedOcc 0
23 mol 148 unq 1 iso 0 dist 8.6953 6.43817 9.21934 7.46919 9.03832 9.73927 numMergedOcc 0
24 mol 148 unq 2 iso 0 dist 9.18753 6.16168 9.21934 11.5345 4.74651 8.73468 numMergedOcc 0
25 mol 148 unq 3 iso 0 dist 9.18753 6.16168 9.21934 14.2261 9.03832 9.73927 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 8.65967 6.48058 9.13113 6.79381 4.75241 8.73558 numMergedOcc 0
27 mol 150 unq 1 iso 0 dist 8.65967 6.48058 9.13113 7.36989 9.0892 9.66129 numMergedOcc 0
28 mol 150 unq 2 iso 0 dist 9.15244 6.14967 9.13113 11.5855 4.75241 8.73558 numMergedOcc 0
29 mol 150 unq 3 iso 0 dist 9.15244 6.14967 9.13113 14.2195 9.0892 9.66129 numMergedOcc 0
30 mol 162 unq 0 iso 0 dist 6.59407 8.08223 8.8048 13.1595 8.86946 8.30984 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 8.1907 9.12244 6.02957 6.20426 5.01686 9.33696 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 7.2833 6.76675 7.87044 13.1745 7.07871 9.82588 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 6.62514 10.239 6.35305 11.3539 4.92804 7.10526 numMergedOcc 0
34 mol 204 unq 1 iso 0 dist 6.20044 5.64245 6.35305 9.23676 4.92804 7.10526 numMergedOcc 0
35 mol 204 unq 2 iso 0 dist 8.41232 5.64245 9.23348 9.23676 5.04697 7.10526 numMergedOcc 0
36 mol 204 unq 3 iso 0 dist 9.41996 8.90839 6.35305 12.209 4.92804 7.10526 numMergedOcc 0
37 mol 250 unq 0 iso 0 dist 7.89067 11.0863 9.45903 13.5956 8.13148 5.97993 numMergedOcc 0
38 mol 250 unq 1 iso 0 dist 7.89067 9.98799 8.51531 13.5956 8.13148 6.44252 numMergedOcc 0
