0 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 5.03957 7.82074 12.1187 11.0366 6.92532 5.18512 12.3486 9.47529 6.36455 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 5.03957 7.82074 11.0366 12.1187 6.92532 5.18512 9.47529 12.3486 6.36455 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 8.60739 9.06158 5.64171 11.3891 9.93832 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.13395 8.80331 14.7803 10.5523 8.60739 9.06158 11.3891 5.64171 9.93832 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 6.54743 8.90863 10.0828 11.5843 10.0962 13.0114 11.343 9.62257 8.82176 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 10.0962 13.0114 9.62257 11.343 8.82176 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 6.54743 8.90863 10.0828 12.4757 10.0962 13.0114 11.343 9.79058 8.82176 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 6.54743 8.90863 12.4757 10.0828 10.0962 13.0114 9.79058 11.343 8.82176 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 10.0962 13.0114 9.62257 9.79058 8.82176 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 6.54743 8.90863 12.4757 11.5843 10.0962 13.0114 9.79058 9.62257 8.82176 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 10.1562 8.33063 16.4714 17.3965 10.0962 9.62257 13.0114 11.343 9.96399 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 10.1562 8.33063 17.3965 16.4714 10.0962 9.62257 11.343 13.0114 9.96399 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 5.67502 8.7531 11.1899 12.4656 10.0962 9.62257 13.0114 11.343 7.55695 numMergedOcc 0
13 mol 60 unq 3 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 5.67502 8.7531 12.4656 11.1899 10.0962 9.62257 11.343 13.0114 7.55695 numMergedOcc 0
14 mol 60 unq 4 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 10.1562 8.33063 16.4714 13.1051 10.0962 9.62257 13.0114 9.79058 9.96399 numMergedOcc 0
15 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 10.1562 8.33063 13.1051 16.4714 10.0962 9.62257 9.79058 13.0114 9.96399 numMergedOcc 0
16 mol 60 unq 5 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 5.67502 8.7531 11.1899 11.6311 10.0962 9.62257 13.0114 9.79058 7.55695 numMergedOcc 0
17 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 5.67502 8.7531 11.6311 11.1899 10.0962 9.62257 9.79058 13.0114 7.55695 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 10.1562 8.33063 17.3965 13.1051 10.0962 9.62257 11.343 9.79058 9.96399 numMergedOcc 0
19 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 10.1562 8.33063 13.1051 17.3965 10.0962 9.62257 9.79058 11.343 9.96399 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 5.67502 8.7531 12.4656 11.6311 10.0962 9.62257 11.343 9.79058 7.55695 numMergedOcc 0
21 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 5.67502 8.7531 11.6311 12.4656 10.0962 9.62257 9.79058 11.343 7.55695 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.4148 6.19304 10.2049 11.6369 7.04044 8.26458 15.7304 8.35241 8.73253 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.4148 6.19304 11.6369 10.2049 7.04044 8.26458 8.35241 15.7304 8.73253 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 16.8706 14.8866 23.7349 10.6419 8.85586 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 16.8706 14.8866 10.6419 23.7349 8.85586 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 12.4407 8.05119 20.464 11.2112 7.11 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 12.4407 8.05119 11.2112 20.464 7.11 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 6.9948 7.97049 6.19965 11.2656 11.2808 6.37974 5.08358 12.9551 7.1589 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 6.9948 7.97049 11.2656 6.19965 11.2808 6.37974 12.9551 5.08358 7.1589 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.7229 7.95579 11.3023 15.309 11.2808 5.08358 6.37974 12.9551 8.00777 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.7229 7.95579 15.309 11.3023 11.2808 5.08358 12.9551 6.37974 8.00777 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 6.9948 6.19965 7.97049 11.2656 11.2808 5.08358 6.37974 12.9551 7.1589 numMergedOcc 0
33 mol 85 unq 2 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 6.9948 6.19965 11.2656 7.97049 11.2808 5.08358 12.9551 6.37974 7.1589 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 5.49936 5.87555 6.70283 8.67331 13.1536 5.70788 9.35627 11.2078 8.28642 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 5.49936 5.87555 8.67331 6.70283 13.1536 5.70788 11.2078 9.35627 8.28642 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 8.28642 9.35627 5.70788 11.2078 9.77552 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 8.28642 9.35627 11.2078 5.70788 9.77552 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 10.4911 5.59336 7.2238 10.9728 8.35555 numMergedOcc 0
39 mol 152 unq 2 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.42328 5.87555 8.87437 10.399 10.4911 5.59336 10.9728 7.2238 8.35555 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 13.1536 9.35627 5.70788 11.2078 9.77552 numMergedOcc 0
41 mol 152 unq 3 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 13.1536 9.35627 11.2078 5.70788 9.77552 numMergedOcc 0
42 mol 152 unq 4 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 13.1536 9.35627 5.70788 11.2078 8.28642 numMergedOcc 0
43 mol 152 unq 4 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.49936 6.70283 8.67331 5.87555 13.1536 9.35627 11.2078 5.70788 8.28642 numMergedOcc 0
44 mol 152 unq 5 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.42328 8.87437 10.399 5.87555 10.4911 10.9728 7.2238 5.59336 8.35555 numMergedOcc 0
45 mol 152 unq 5 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 10.4911 10.9728 5.59336 7.2238 8.35555 numMergedOcc 0
46 mol 152 unq 6 iso 0 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.49936 8.67331 5.87555 6.70283 13.1536 11.2078 5.70788 9.35627 8.28642 numMergedOcc 0
47 mol 152 unq 6 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.49936 8.67331 6.70283 5.87555 13.1536 11.2078 9.35627 5.70788 8.28642 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 6.51749 5.93488 13.8722 7.64267 7.20392 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 6.51749 5.93488 7.64267 13.8722 7.20392 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 7.54065 5.74635 13.8792 9.50685 9.09754 18.6929 10.7914 15.9107 9.97575 24.2168 12.7155 8.64409 numMergedOcc 0
51 mol 186 unq 0 iso 1 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.50685 9.09754 10.7914 18.6929 15.9107 9.97575 12.7155 24.2168 8.64409 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 9.36357 7.82322 12.1694 5.88703 9.45496 12.9605 6.7625 8.24186 5.63086 11.7705 5.6819 7.5366 numMergedOcc 0
53 mol 234 unq 0 iso 1 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 5.88703 9.45496 6.7625 12.9605 8.24186 5.63086 5.6819 11.7705 7.5366 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 9.36357 8.34494 12.1694 6.56247 7.82322 6.29886 5.88703 6.7625 12.9605 9.45496 8.24186 5.6819 11.7705 5.63086 7.5366 numMergedOcc 0
55 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 5.88703 6.7625 9.45496 12.9605 8.24186 5.6819 5.63086 11.7705 7.5366 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 7.28249 9.81562 7.68742 6.27581 11.9847 7.22918 9.05842 7.00028 8.50331 numMergedOcc 0
57 mol 236 unq 0 iso 1 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 7.28249 9.81562 6.27581 7.68742 11.9847 7.22918 7.00028 9.05842 8.50331 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 7.28249 9.81562 7.68742 13.499 11.9847 7.22918 9.05842 11.7392 8.50331 numMergedOcc 0
59 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 6.84306 5.79505 11.8739 7.28249 9.81562 13.499 7.68742 11.9847 7.22918 11.7392 9.05842 8.50331 numMergedOcc 0
60 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 7.28249 9.81562 7.68742 11.2141 11.9847 7.22918 9.05842 16.3568 8.50331 numMergedOcc 0
61 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 6.84306 5.79505 14.7998 7.28249 9.81562 11.2141 7.68742 11.9847 7.22918 16.3568 9.05842 8.50331 numMergedOcc 0
62 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 7.28249 9.81562 6.27581 13.499 11.9847 7.22918 7.00028 11.7392 8.50331 numMergedOcc 0
63 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 9.99038 9.90963 11.1557 7.28249 9.81562 13.499 6.27581 11.9847 7.22918 11.7392 7.00028 8.50331 numMergedOcc 0
64 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 7.28249 9.81562 6.27581 11.2141 11.9847 7.22918 7.00028 16.3568 8.50331 numMergedOcc 0
65 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.99038 9.90963 10.7497 7.28249 9.81562 11.2141 6.27581 11.9847 7.22918 16.3568 7.00028 8.50331 numMergedOcc 0
66 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 8.35971 14.2337 12.0369 7.28249 9.81562 13.499 11.2141 11.9847 7.22918 11.7392 16.3568 8.50331 numMergedOcc 0
67 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.78037 6.96005 12.0369 7.28249 9.81562 11.2141 13.499 11.9847 7.22918 16.3568 11.7392 8.50331 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 7.28249 7.68742 9.81562 6.27581 11.9847 9.05842 7.22918 7.00028 8.50331 numMergedOcc 0
69 mol 236 unq 3 iso 1 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 7.28249 7.68742 6.27581 9.81562 11.9847 9.05842 7.00028 7.22918 8.50331 numMergedOcc 0
70 mol 236 unq 4 iso 0 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 7.28249 7.68742 9.81562 13.499 11.9847 9.05842 7.22918 11.7392 8.50331 numMergedOcc 0
71 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 8.03456 5.79505 6.96005 7.28249 7.68742 13.499 9.81562 11.9847 9.05842 11.7392 7.22918 8.50331 numMergedOcc 0
72 mol 236 unq 5 iso 0 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 7.28249 7.68742 9.81562 11.2141 11.9847 9.05842 7.22918 16.3568 8.50331 numMergedOcc 0
73 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 8.03456 5.79505 14.2337 7.28249 7.68742 11.2141 9.81562 11.9847 9.05842 16.3568 7.22918 8.50331 numMergedOcc 0
74 mol 236 unq 4 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 7.28249 7.68742 6.27581 13.499 11.9847 9.05842 7.00028 11.7392 8.50331 numMergedOcc 0
75 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 9.99038 11.3368 11.1557 7.28249 7.68742 13.499 6.27581 11.9847 9.05842 11.7392 7.00028 8.50331 numMergedOcc 0
76 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 7.28249 7.68742 6.27581 11.2141 11.9847 9.05842 7.00028 16.3568 8.50331 numMergedOcc 0
77 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.99038 11.3368 10.7497 7.28249 7.68742 11.2141 6.27581 11.9847 9.05842 16.3568 7.00028 8.50331 numMergedOcc 0
78 mol 236 unq 5 iso 0 dist 6.84306 9.78037 11.8739 8.35971 14.7998 12.0369 7.28249 7.68742 13.499 11.2141 11.9847 9.05842 11.7392 16.3568 8.50331 numMergedOcc 0
79 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.78037 11.8739 12.0369 7.28249 7.68742 11.2141 13.499 11.9847 9.05842 16.3568 11.7392 8.50331 numMergedOcc 0
80 mol 236 unq 6 iso 0 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 7.28249 6.27581 9.81562 7.68742 11.9847 7.00028 7.22918 9.05842 8.50331 numMergedOcc 0
81 mol 236 unq 6 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 7.28249 6.27581 7.68742 9.81562 11.9847 7.00028 9.05842 7.22918 8.50331 numMergedOcc 0
82 mol 236 unq 7 iso 0 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 7.28249 6.27581 9.81562 13.499 11.9847 7.00028 7.22918 11.7392 8.50331 numMergedOcc 0
83 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 8.03456 9.90963 6.96005 7.28249 6.27581 13.499 9.81562 11.9847 7.00028 11.7392 7.22918 8.50331 numMergedOcc 0
84 mol 236 unq 8 iso 0 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 7.28249 6.27581 9.81562 11.2141 11.9847 7.00028 7.22918 16.3568 8.50331 numMergedOcc 0
85 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 8.03456 9.90963 14.2337 7.28249 6.27581 11.2141 9.81562 11.9847 7.00028 16.3568 7.22918 8.50331 numMergedOcc 0
86 mol 236 unq 7 iso 0 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 7.28249 6.27581 7.68742 13.499 11.9847 7.00028 9.05842 11.7392 8.50331 numMergedOcc 0
87 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 6.84306 11.3368 11.8739 7.28249 6.27581 13.499 7.68742 11.9847 7.00028 11.7392 9.05842 8.50331 numMergedOcc 0
88 mol 236 unq 8 iso 0 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 7.28249 6.27581 7.68742 11.2141 11.9847 7.00028 9.05842 16.3568 8.50331 numMergedOcc 0
89 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 6.84306 11.3368 14.7998 7.28249 6.27581 11.2141 7.68742 11.9847 7.00028 16.3568 9.05842 8.50331 numMergedOcc 0
90 mol 236 unq 8 iso 0 dist 9.99038 9.78037 11.1557 8.35971 10.7497 12.0369 7.28249 6.27581 13.499 11.2141 11.9847 7.00028 11.7392 16.3568 8.50331 numMergedOcc 0
91 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 9.78037 11.1557 12.0369 7.28249 6.27581 11.2141 13.499 11.9847 7.00028 16.3568 11.7392 8.50331 numMergedOcc 0
92 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 10.7615 9.32326 5.72783 13.9054 6.11473 numMergedOcc 0
93 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 10.7615 9.32326 13.9054 5.72783 6.11473 numMergedOcc 0
94 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 12.0482 5.89666 10.672 18.2014 8.47784 numMergedOcc 0
95 mol 252 unq 1 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 12.0482 5.89666 18.2014 10.672 8.47784 numMergedOcc 0
96 mol 252 unq 2 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 7.50201 11.056 5.23748 7.63376 6.53679 numMergedOcc 0
97 mol 252 unq 2 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 7.50201 11.056 7.63376 5.23748 6.53679 numMergedOcc 0
98 mol 252 unq 3 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 10.7615 5.72783 9.32326 13.9054 6.11473 numMergedOcc 0
99 mol 252 unq 3 iso 1 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 10.7615 5.72783 13.9054 9.32326 6.11473 numMergedOcc 0
100 mol 252 unq 4 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 12.0482 10.672 5.89666 18.2014 8.47784 numMergedOcc 0
101 mol 252 unq 4 iso 1 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 12.0482 10.672 18.2014 5.89666 8.47784 numMergedOcc 0
102 mol 252 unq 5 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 7.50201 5.23748 11.056 7.63376 6.53679 numMergedOcc 0
103 mol 252 unq 5 iso 1 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 7.50201 5.23748 7.63376 11.056 6.53679 numMergedOcc 0
