0 mol 7 unq 0 iso 0 dist 8.77133 5.0893 6.36911 6.8464 6.06176 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.77133 15.8567 9.36807 12.8922 10.515 7.10621 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.79697 7.36147 8.33604 12.5407 8.27181 8.96553 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.6008 10.0039 8.78293 12.4519 5.31524 7.20519 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.6008 10.0039 8.78293 14.0749 10.9543 4.54938 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.6008 10.0039 8.78293 15.7849 11.4401 6.864 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.9648 9.07666 8.63333 10.9921 6.47744 6.86465 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.9648 5.93193 8.89374 10.9921 6.47744 6.35756 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.9648 5.72191 6.46761 11.8851 5.24906 6.64012 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.9648 10.3384 9.73139 11.8851 5.24906 9.4099 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.9648 10.3384 9.73139 18.7995 13.1021 9.55426 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 5.1488 5.9853 8.68586 9.21546 5.3948 9.67592 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 6.22308 5.43139 7.92394 9.74802 6.65811 9.65964 numMergedOcc 0
13 mol 70 unq 1 iso 0 dist 7.0495 5.43139 9.93423 9.74802 5.47516 9.65964 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.96647 4.78435 8.70133 10.2786 13.4082 9.38498 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 6.96647 4.78435 8.70133 11.6724 7.41074 9.96396 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.96647 4.78435 8.70133 14.5091 15.9882 9.75218 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 6.96647 4.60412 5.64598 9.41049 9.77992 5.93252 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 6.96647 6.33833 4.65521 11.6724 7.41074 6.19304 numMergedOcc 0
19 mol 75 unq 0 iso 0 dist 9.24433 4.95201 5.15851 10.8219 10.0425 7.79912 numMergedOcc 0
20 mol 75 unq 1 iso 0 dist 9.24433 4.95201 5.15851 11.2569 11.8774 8.56639 numMergedOcc 0
21 mol 75 unq 2 iso 0 dist 9.24433 4.95201 5.15851 12.2335 10.0372 8.59017 numMergedOcc 0
22 mol 86 unq 0 iso 0 dist 6.13833 7.89966 7.79359 14.5863 9.68893 9.5497 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 9.33819 12.8158 8.68821 13.3463 5.33327 7.35754 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 8.62574 12.3787 7.75534 13.8457 7.01257 6.06638 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 8.28884 5.21262 8.74308 9.0918 6.76754 8.70949 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 7.46812 11.0256 7.92688 9.1146 4.68409 7.11802 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 7.46812 11.0256 7.92688 15.6213 12.2037 8.00618 numMergedOcc 0
28 mol 155 unq 0 iso 0 dist 9.77059 8.78324 9.38946 14.5301 12.8482 6.43582 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.89833 6.4322 9.6668 10.6064 8.25067 9.15386 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.23089 5.32364 6.93764 11.9989 4.80231 7.63312 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 7.39743 5.38569 7.37327 12.5003 11.1462 7.81386 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.39743 5.38569 7.37327 12.5213 13.3389 7.63312 numMergedOcc 0
33 mol 197 unq 0 iso 0 dist 8.4273 17.4229 8.99696 16.3491 9.82139 8.56633 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 7.26162 8.00193 8.19953 14.3473 8.64911 9.40098 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 7.26162 8.00193 8.19953 12.6229 10.7113 6.61986 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.89345 12.8561 6.87664 7.49783 7.98696 8.95269 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 9.89345 12.8561 6.87664 11.5265 7.12232 6.57273 numMergedOcc 0
38 mol 224 unq 4 iso 0 dist 9.89345 12.8561 6.87664 14.8623 5.3621 5.78342 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 8.64747 5.54495 7.39747 6.43546 6.26168 7.00034 numMergedOcc 0
40 mol 239 unq 1 iso 0 dist 5.91933 5.54495 8.1777 6.43546 5.39146 7.00034 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.01371 6.88138 7.97444 12.3007 6.8406 8.49997 numMergedOcc 0
