0 mol 7 unq 0 iso 0 dist 6.24628 5.93318 8.23909 10.8066 13.823 9.60499 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.92545 5.63684 6.48625 12.6493 6.34264 7.17396 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.92545 5.63684 6.48625 13.6886 5.30842 9.21998 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.56878 10.1514 9.62468 11.7239 10.7369 6.65721 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 6.56878 10.1514 9.62468 14.9439 11.5608 6.72123 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 6.56395 10.1514 5.92705 11.7239 5.4671 6.65721 numMergedOcc 0
6 mol 61 unq 3 iso 0 dist 6.56395 10.1514 5.92705 14.9439 10.1513 6.72123 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.81722 5.50724 6.89722 14.6253 10.4716 9.96396 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.81722 5.50724 6.89722 10.4812 5.2774 6.19304 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.81722 5.50724 6.89722 11.5323 13.9156 8.70481 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.27446 6.67306 9.68526 10.0143 8.31041 9.38498 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.27446 14.8739 7.26679 10.0143 8.31041 9.96396 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.27446 14.8739 7.26679 11.3406 5.44275 6.19304 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 8.27446 14.8739 7.26679 16.3874 11.2674 8.70481 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 8.27446 8.62642 9.30776 10.0143 8.31041 9.75218 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 9.76332 6.67306 9.72442 10.0143 11.7069 9.38498 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.11757 11.188 4.98104 18.3164 10.7572 7.4729 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 8.11757 11.188 4.98104 12.9901 5.50764 6.82344 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 8.63253 8.90571 9.01767 8.84131 6.42572 7.36792 numMergedOcc 0
19 mol 102 unq 1 iso 0 dist 5.15752 8.90571 9.80678 8.84131 5.54551 7.36792 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 8.90273 9.83765 6.86946 10.8716 5.889 4.99221 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.34402 10.5271 9.4473 18.3926 15.4455 8.22656 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 8.34402 10.5271 9.4473 16.0319 11.1611 6.82262 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 8.07957 16.9748 9.4473 21.0765 15.4455 8.22656 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 8.07957 16.9748 9.4473 16.2473 11.1611 6.82262 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 9.46519 5.65802 7.78849 14.2731 11.454 9.89303 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.60482 8.70038 7.44191 13.6244 9.60754 8.03334 numMergedOcc 0
27 mol 182 unq 0 iso 0 dist 9.68167 5.4214 7.86625 11.8862 5.40949 9.31746 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 9.64653 16.0709 8.64255 20.1285 11.8861 8.56633 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.81385 6.17038 8.7347 10.9296 8.81265 6.00706 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 8.81385 6.17038 8.7347 7.88846 4.28891 7.54212 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 6.00509 6.68357 7.79865 6.02527 5.3251 7.37839 numMergedOcc 0
32 mol 231 unq 1 iso 0 dist 6.00509 7.6832 6.14348 6.02527 5.3251 8.40182 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.62438 5.89263 5.89084 10.0158 4.74041 6.56247 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 7.62438 5.89263 5.89084 13.4063 6.16697 9.45496 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 7.62438 12.6792 8.47009 10.0158 4.74041 9.36357 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 7.62438 12.6792 8.47009 13.4063 6.16697 6.7625 numMergedOcc 0
37 mol 234 unq 4 iso 0 dist 6.35728 5.28657 5.00515 10.4208 5.16023 8.41436 numMergedOcc 0
38 mol 234 unq 5 iso 0 dist 6.35728 5.28657 5.00515 13.7219 10.2063 8.92474 numMergedOcc 0
39 mol 236 unq 0 iso 0 dist 9.86445 10.5925 8.77254 10.4879 5.74377 8.04248 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 9.86445 10.5925 8.77254 5.77925 10.054 8.35971 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 8.47921 11.0676 9.75174 16.8665 13.477 6.57393 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 8.05967 12.5964 7.29898 13.7787 6.6173 7.57994 numMergedOcc 0
43 mol 249 unq 1 iso 0 dist 8.05967 12.5964 7.29898 16.4913 8.95486 6.18582 numMergedOcc 0
44 mol 249 unq 2 iso 0 dist 9.62613 12.5964 8.91685 13.7787 5.25611 7.57994 numMergedOcc 0
45 mol 249 unq 3 iso 0 dist 9.62613 12.5964 8.91685 16.4913 9.66184 6.18582 numMergedOcc 0
46 mol 249 unq 4 iso 0 dist 8.75137 4.24754 7.29898 7.79723 6.6173 7.57994 numMergedOcc 0
47 mol 249 unq 5 iso 0 dist 8.75137 4.24754 7.29898 8.14526 8.95486 6.18582 numMergedOcc 0
48 mol 249 unq 6 iso 0 dist 7.82699 4.24754 8.91685 7.79723 5.25611 7.57994 numMergedOcc 0
49 mol 249 unq 7 iso 0 dist 7.82699 4.24754 8.91685 8.14526 9.66184 6.18582 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 7.85381 5.09075 9.62828 11.83 10.5691 8.02547 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 5.73065 11.9195 6.90434 15.7291 13.2927 9.7748 numMergedOcc 0
