0 mol 17 unq 0 iso 0 dist 7.8304 4.47542 7.25951 5.74567 7.31113 7.92012 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.74567 4.47542 7.92012 7.8304 7.31113 7.25951 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 5.33546 9.40625 9.78384 16.4082 14.8479 8.87742 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 5.33546 9.40625 9.78384 10.5396 8.25967 4.93468 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 5.72627 4.39227 8.03296 7.68741 6.70789 5.82754 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 5.72627 4.39227 8.03296 9.76351 7.7277 8.87742 numMergedOcc 0
6 mol 79 unq 4 iso 0 dist 5.72627 8.32896 9.26979 7.68741 6.70789 9.05679 numMergedOcc 0
7 mol 79 unq 5 iso 0 dist 5.72627 8.32896 9.26979 9.76351 7.7277 4.93468 numMergedOcc 0
8 mol 79 unq 6 iso 0 dist 7.68741 4.39227 5.82754 5.72627 6.70789 8.03296 numMergedOcc 0
9 mol 79 unq 7 iso 0 dist 7.68741 4.39227 5.82754 9.76351 7.2005 8.87742 numMergedOcc 0
10 mol 79 unq 8 iso 0 dist 7.68741 8.32896 9.05679 5.72627 6.70789 9.26979 numMergedOcc 0
11 mol 79 unq 9 iso 0 dist 7.68741 8.32896 9.05679 9.76351 7.2005 4.93468 numMergedOcc 0
12 mol 79 unq 10 iso 0 dist 9.76351 4.39227 8.87742 5.72627 7.7277 8.03296 numMergedOcc 0
13 mol 79 unq 11 iso 0 dist 9.76351 4.39227 8.87742 7.68741 7.2005 5.82754 numMergedOcc 0
14 mol 79 unq 12 iso 0 dist 9.76351 8.32896 4.93468 5.72627 7.7277 9.26979 numMergedOcc 0
15 mol 79 unq 13 iso 0 dist 9.76351 8.32896 4.93468 7.68741 7.2005 9.05679 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 9.52206 7.00155 8.89417 12.2053 4.37353 8.74378 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 8.69945 14.3423 8.89417 12.1369 4.37353 8.74378 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 8.74577 6.58625 6.33431 10.7546 4.38093 6.11502 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 9.94322 6.67445 6.11502 9.7728 4.38093 6.33431 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 9.7728 6.67445 6.33431 9.94322 4.38093 6.11502 numMergedOcc 0
21 mol 125 unq 3 iso 0 dist 8.35871 8.12341 6.11502 6.75122 4.38093 6.33431 numMergedOcc 0
22 mol 125 unq 4 iso 0 dist 6.75122 8.12341 6.33431 8.35871 4.38093 6.11502 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.81111 11.3783 6.75376 13.5343 6.33946 9.83945 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 8.81111 11.3783 6.75376 5.66405 6.59975 9.10042 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 5.66405 11.3783 9.10042 13.5343 12.8394 9.83945 numMergedOcc 0
26 mol 141 unq 3 iso 0 dist 5.66405 11.3783 9.10042 8.81111 6.59975 6.75376 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 8.75305 5.6621 8.21184 5.13522 6.12113 5.9976 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 8.75305 6.65278 5.41575 5.13522 6.12113 6.86566 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 5.13522 5.6621 5.9976 8.75305 6.12113 8.21184 numMergedOcc 0
30 mol 156 unq 3 iso 0 dist 5.13522 6.65278 6.86566 8.75305 6.12113 5.41575 numMergedOcc 0
31 mol 171 unq 0 iso 0 dist 8.29782 4.71612 7.22518 9.91804 3.98338 7.58499 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 8.29782 5.66419 5.25109 9.91804 3.98338 8.21618 numMergedOcc 0
33 mol 171 unq 2 iso 0 dist 7.61144 7.486 7.58499 10.3893 3.98338 7.22518 numMergedOcc 0
34 mol 171 unq 3 iso 0 dist 7.61144 13.5731 8.21618 10.3893 3.98338 5.25109 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 8.90567 8.96857 8.86197 11.0517 9.87773 7.32087 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 8.14859 9.72372 6.60053 5.62421 4.20321 9.36796 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 5.62421 9.72372 9.36796 8.14859 4.20321 6.60053 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 9.0515 13.1553 9.62455 20.3111 15.4429 7.21349 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 9.74449 10.3756 4.98734 9.2056 6.48174 6.33496 numMergedOcc 0
40 mol 256 unq 1 iso 0 dist 9.74449 13.5199 6.37963 9.2056 6.48174 6.00636 numMergedOcc 0
