0 mol 7 unq 0 iso 0 dist 9.28571 15.3822 7.11539 12.9606 6.44558 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.05125 10.7937 7.11539 10.5066 6.44558 6.14469 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.13608 8.69625 8.07997 16.2251 12.7517 8.5315 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.46895 6.44044 8.07997 6.19304 12.7517 8.5315 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.78023 7.73842 8.50475 15.2141 12.3426 8.29857 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.79657 7.73842 9.48288 15.2141 15.6905 8.29857 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.8089 5.63508 5.72627 12.2802 4.39227 8.03296 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.8089 5.63508 5.72627 14.8544 8.32896 9.26979 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 9.8089 9.73669 7.68741 12.2802 4.39227 5.82754 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 9.8089 9.73669 7.68741 14.8544 8.32896 9.05679 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 9.8089 12.6221 9.76351 22.1298 16.5814 9.78384 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 9.8089 12.6221 9.76351 12.2802 4.39227 8.87742 numMergedOcc 0
12 mol 79 unq 6 iso 0 dist 9.8089 12.6221 9.76351 14.8544 8.32896 4.93468 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.88143 4.81103 7.67564 6.04768 12.9271 7.14031 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.62952 4.81103 8.60103 6.04768 12.2431 7.14031 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 4.3521 7.22196 8.60103 9.40173 12.2431 7.14031 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 8.44933 5.61158 8.74577 8.2793 6.58625 6.33431 numMergedOcc 0
17 mol 125 unq 1 iso 0 dist 7.43803 6.27138 9.94322 8.2793 6.67445 6.11502 numMergedOcc 0
18 mol 125 unq 2 iso 0 dist 7.43803 5.61158 9.7728 8.2793 6.67445 6.33431 numMergedOcc 0
19 mol 125 unq 3 iso 0 dist 8.75402 11.1934 8.35871 13.4559 8.12341 6.11502 numMergedOcc 0
20 mol 125 unq 4 iso 0 dist 8.75402 7.74181 6.75122 13.4559 8.12341 6.33431 numMergedOcc 0
21 mol 125 unq 5 iso 0 dist 8.48363 6.46489 8.35871 11.3819 8.12341 6.11502 numMergedOcc 0
22 mol 125 unq 6 iso 0 dist 8.48363 8.27647 6.75122 11.3819 8.12341 6.33431 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 4.56886 10.6596 9.75061 10.9017 8.25083 5.87084 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 5.50879 5.309 8.75305 8.32841 5.6621 8.21184 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 5.50879 5.309 8.75305 6.00295 6.65278 5.41575 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 5.50879 6.07262 5.13522 8.32841 5.6621 5.9976 numMergedOcc 0
27 mol 156 unq 3 iso 0 dist 5.50879 6.07262 5.13522 6.00295 6.65278 6.86566 numMergedOcc 0
28 mol 156 unq 4 iso 0 dist 6.69157 11.9245 8.75305 6.56065 5.6621 8.21184 numMergedOcc 0
29 mol 156 unq 5 iso 0 dist 6.69157 11.9245 8.75305 10.3001 6.65278 5.41575 numMergedOcc 0
30 mol 156 unq 6 iso 0 dist 6.69157 6.25291 5.13522 6.56065 5.6621 5.9976 numMergedOcc 0
31 mol 156 unq 7 iso 0 dist 6.69157 6.25291 5.13522 10.3001 6.65278 6.86566 numMergedOcc 0
32 mol 162 unq 0 iso 0 dist 9.68937 12.5317 5.99212 15.4821 6.27876 9.7361 numMergedOcc 0
33 mol 162 unq 1 iso 0 dist 6.3981 8.33986 5.99212 9.87543 6.27876 9.7361 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 8.42643 5.68701 7.61144 12.2051 7.486 7.58499 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 8.42643 5.68701 7.61144 13.7696 13.5731 8.21618 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.55294 7.79382 6.58212 13.955 10.8189 6.21159 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 7.6409 5.96605 8.53237 8.09667 4.93748 6.21159 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 5.83093 10.8213 8.14859 16.784 14.4054 8.26288 numMergedOcc 0
39 mol 192 unq 1 iso 0 dist 5.83093 10.8213 8.14859 14.746 9.72372 6.60053 numMergedOcc 0
40 mol 192 unq 2 iso 0 dist 5.83093 6.75301 5.62421 14.746 9.72372 9.36796 numMergedOcc 0
41 mol 226 unq 0 iso 0 dist 8.24741 4.97624 6.45143 6.82883 4.66376 5.70795 numMergedOcc 0
42 mol 226 unq 1 iso 0 dist 5.07958 5.55393 6.45143 8.22518 4.66376 5.70795 numMergedOcc 0
43 mol 226 unq 2 iso 0 dist 6.19519 9.35407 6.45143 6.02803 4.66376 5.70795 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 5.77828 6.32646 6.80544 8.52162 4.04422 5.92374 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 7.84151 5.63899 9.16554 8.16005 11.4694 7.16346 numMergedOcc 0
46 mol 273 unq 1 iso 0 dist 7.346 11.3048 9.16554 14.3828 11.4694 7.16346 numMergedOcc 0
47 mol 273 unq 2 iso 0 dist 7.85797 5.63899 9.65597 8.16005 4.73332 7.16346 numMergedOcc 0
