0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 7.38748 5.0893 8.77133 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.92865 6.88402 8.99126 8.68949 8.33226 8.70858 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.97875 7.75648 9.53002 10.7276 9.68915 6.35021 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.52254 6.79455 7.41857 5.52834 4.38082 6.51963 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 13.034 5.9853 5.1488 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 10.2564 5.9853 5.1488 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 5.66803 5.9853 5.1488 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 9.99634 8.21081 9.80142 8.85416 6.43864 7.77991 numMergedOcc 0
8 mol 64 unq 4 iso 0 dist 9.99634 11.6323 9.54144 8.85416 6.43864 5.1488 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.24121 6.51655 7.04352 13.7712 7.50148 9.7198 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 8.44279 4.60412 6.96647 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.30194 5.14919 4.65521 8.44279 6.33833 6.96647 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.79954 13.1044 8.70133 8.90896 4.78435 6.96647 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 7.01889 15.124 8.70133 10.6837 4.78435 6.96647 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 14.3873 5.30415 9.53368 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 9.1329 11.1364 7.51358 18.8591 14.9517 9.64421 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.1329 11.1364 7.51358 13.4671 10.4977 6.72471 numMergedOcc 0
17 mol 87 unq 3 iso 0 dist 9.1329 16.0648 8.93296 14.3873 5.30415 6.54532 numMergedOcc 0
18 mol 87 unq 4 iso 0 dist 5.26938 7.62644 7.51358 9.90256 5.30415 9.53368 numMergedOcc 0
19 mol 87 unq 5 iso 0 dist 5.26938 7.62644 7.51358 16.7109 14.9517 9.64421 numMergedOcc 0
20 mol 87 unq 6 iso 0 dist 5.26938 7.62644 7.51358 12.0487 10.4977 6.72471 numMergedOcc 0
21 mol 87 unq 7 iso 0 dist 5.26938 10.8096 8.93296 9.90256 5.30415 6.54532 numMergedOcc 0
22 mol 87 unq 8 iso 0 dist 6.8014 5.5768 7.51358 7.57471 5.30415 9.53368 numMergedOcc 0
23 mol 87 unq 9 iso 0 dist 6.8014 5.5768 7.51358 14.4469 14.9517 9.64421 numMergedOcc 0
24 mol 87 unq 10 iso 0 dist 6.8014 5.5768 7.51358 11.9046 10.4977 6.72471 numMergedOcc 0
25 mol 87 unq 11 iso 0 dist 6.8014 4.56692 8.93296 7.57471 5.30415 6.54532 numMergedOcc 0
26 mol 87 unq 12 iso 0 dist 9.03114 11.1364 8.32298 14.3873 11.2095 9.53368 numMergedOcc 0
27 mol 87 unq 13 iso 0 dist 9.03114 11.1364 8.32298 18.8591 11.9144 9.64421 numMergedOcc 0
28 mol 87 unq 14 iso 0 dist 9.03114 11.1364 8.32298 13.4671 6.12372 6.72471 numMergedOcc 0
29 mol 87 unq 15 iso 0 dist 8.91602 7.62644 8.32298 9.90256 11.2095 9.53368 numMergedOcc 0
30 mol 87 unq 16 iso 0 dist 8.91602 7.62644 8.32298 16.7109 11.9144 9.64421 numMergedOcc 0
31 mol 87 unq 17 iso 0 dist 8.91602 7.62644 8.32298 12.0487 6.12372 6.72471 numMergedOcc 0
32 mol 88 unq 0 iso 0 dist 9.25163 10.2577 9.10189 17.2075 14.0389 7.11852 numMergedOcc 0
33 mol 114 unq 0 iso 0 dist 5.97879 5.84883 6.73814 6.54778 5.0333 6.06039 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 9.05626 8.63186 8.74308 12.4848 5.21262 8.28884 numMergedOcc 0
35 mol 155 unq 0 iso 0 dist 8.66709 14.2312 7.70572 13.5384 5.88096 9.18489 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.63295 10.602 6.93764 9.40718 5.32364 9.23089 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 7.04127 9.20195 8.19953 9.7994 8.00193 7.26162 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 6.86342 5.13259 7.52785 10.0618 11.2546 9.73261 numMergedOcc 0
