0 mol 26 unq 0 iso 0 dist 6.67455 9.7522 5.71065 4.01506 9.2772 13.4268 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.6338 9.22002 11.2947 8.61908 7.31677 11.0419 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 8.6338 7.52103 4.78811 8.61908 7.31677 8.46556 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 7.31677 8.46556 4.78811 8.61908 8.6338 7.52103 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.00234 8.91902 4.33228 7.55848 7.30652 11.3547 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.30652 5.47319 7.0643 7.55848 7.00234 11.4076 numMergedOcc 0
6 mol 69 unq 2 iso 0 dist 7.30652 9.8809 15.5982 7.55848 7.00234 17.4028 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.33989 9.71952 8.73236 3.94577 8.57953 7.28257 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.57953 7.28257 8.73236 3.94577 9.33989 9.71952 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 8.92491 7.47794 7.84269 12.5963 7.41861 14.8046 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 7.41861 6.4551 10.6009 12.5963 8.92491 18.1208 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.9268 9.3894 10.2681 7.57921 8.19166 14.1938 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.73038 9.50322 5.34829 10.5425 9.56319 12.969 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.73038 5.82404 9.67676 10.5425 9.56319 9.84918 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.28957 8.43038 4.70374 3.81938 7.34285 9.87966 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 7.34285 9.87966 4.70374 3.81938 6.28957 8.43038 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 9.63473 8.14096 8.90206 7.49794 8.39087 13.0243 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.09291 9.46833 6.21354 12.0967 9.76796 15.7841 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 6.09291 9.46833 6.21354 12.9289 9.90583 15.5272 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 9.32606 9.66407 14.4797 3.69868 7.80506 10.9816 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 5.7065 9.878 12.6202 5.81461 8.83768 14.6746 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 8.47833 6.752 5.58339 4.20051 5.47586 5.4913 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.05912 6.752 4.37383 5.80929 5.81277 9.34594 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 5.05912 6.752 4.37383 4.20051 6.60429 5.4913 numMergedOcc 0
24 mol 205 unq 3 iso 0 dist 5.47586 8.10287 7.78052 4.20051 8.47833 12.1752 numMergedOcc 0
25 mol 205 unq 4 iso 0 dist 5.47586 5.4913 5.58339 4.20051 8.47833 6.752 numMergedOcc 0
26 mol 205 unq 5 iso 0 dist 6.60429 8.10287 13.0749 9.66755 5.81277 17.0855 numMergedOcc 0
27 mol 205 unq 6 iso 0 dist 6.60429 8.10287 13.0749 4.20051 5.05912 12.1752 numMergedOcc 0
28 mol 205 unq 7 iso 0 dist 6.60429 5.4913 4.37383 9.66755 5.81277 9.34594 numMergedOcc 0
29 mol 205 unq 8 iso 0 dist 6.60429 5.4913 4.37383 4.20051 5.05912 6.752 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 8.09185 5.87223 5.3615 9.449 7.27225 8.062 numMergedOcc 0
31 mol 212 unq 1 iso 0 dist 8.09185 5.87223 5.3615 5.23375 8.14212 8.70011 numMergedOcc 0
32 mol 212 unq 2 iso 0 dist 7.27225 8.062 5.3615 9.449 8.09185 5.87223 numMergedOcc 0
33 mol 212 unq 3 iso 0 dist 7.27225 8.062 5.3615 7.17541 8.14212 8.70011 numMergedOcc 0
34 mol 212 unq 4 iso 0 dist 8.14212 8.70011 5.3615 5.23375 8.09185 5.87223 numMergedOcc 0
35 mol 212 unq 5 iso 0 dist 8.14212 8.70011 5.3615 7.17541 7.27225 8.062 numMergedOcc 0
36 mol 226 unq 0 iso 0 dist 5.71182 7.117 4.66606 4.07375 7.67573 9.18697 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 10.4994 8.5774 17.1257 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 9.94957 9.772 17.2234 5.97995 8.01664 11.5176 numMergedOcc 0
