0 mol 24 unq 0 iso 0 dist 5.9372 8.17583 5.09598 4.15946 6.93597 10.156 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.03544 6.93597 9.24588 6.16544 4.30252 10.716 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.93597 7.03544 9.24588 4.15946 5.9372 9.34593 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 4.30252 7.85986 6.0925 6.16544 7.03544 12.1223 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.0991 9.95093 4.74094 6.47508 8.80175 12.1965 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.0991 9.95093 4.74094 9.35568 8.61637 13.2424 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.32996 8.12997 8.81168 9.17835 7.47783 14.9886 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 7.32996 6.13153 8.88086 9.17835 7.47783 14.1426 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.32996 5.7836 8.83572 9.17835 7.47783 10.0533 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 7.32996 5.89173 4.6034 9.17835 7.47783 9.6736 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 5.82264 7.84895 11.4886 11.4396 8.56365 17.9493 numMergedOcc 0
11 mol 48 unq 5 iso 0 dist 5.82264 5.8541 8.45701 11.4396 8.56365 15.9076 numMergedOcc 0
12 mol 48 unq 6 iso 0 dist 5.82264 7.20729 8.79085 11.4396 8.56365 11.0731 numMergedOcc 0
13 mol 48 unq 7 iso 0 dist 5.82264 5.72703 10.0122 11.4396 8.56365 14.0034 numMergedOcc 0
14 mol 48 unq 8 iso 0 dist 8.56365 7.47783 9.94041 11.4396 5.82264 14.3528 numMergedOcc 0
15 mol 48 unq 9 iso 0 dist 8.56365 8.74151 5.553 11.4396 5.82264 11.342 numMergedOcc 0
16 mol 48 unq 10 iso 0 dist 8.56365 8.69662 8.14415 11.4396 5.82264 13.6649 numMergedOcc 0
17 mol 48 unq 11 iso 0 dist 7.47783 8.56365 9.94041 9.17835 7.32996 15.5445 numMergedOcc 0
18 mol 48 unq 12 iso 0 dist 7.47783 8.74151 6.96103 9.17835 7.32996 13.8202 numMergedOcc 0
19 mol 48 unq 13 iso 0 dist 7.47783 8.69662 4.54874 9.17835 7.32996 11.605 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 7.56495 7.63923 5.30569 7.7277 6.2576 9.11841 numMergedOcc 0
21 mol 79 unq 1 iso 0 dist 7.56495 7.63923 5.30569 7.2005 8.96069 12.5055 numMergedOcc 0
22 mol 79 unq 2 iso 0 dist 7.56495 8.23095 7.28768 7.7277 6.2576 12.0111 numMergedOcc 0
23 mol 79 unq 3 iso 0 dist 7.56495 8.23095 7.28768 7.2005 8.96069 10.3733 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 9.99805 8.84225 9.19853 7.21092 8.2992 6.72546 numMergedOcc 0
25 mol 79 unq 5 iso 0 dist 8.84225 9.99805 9.19853 7.21092 6.72546 8.2992 numMergedOcc 0
26 mol 79 unq 6 iso 0 dist 7.63923 7.56495 5.30569 8.10444 5.79139 9.44983 numMergedOcc 0
27 mol 79 unq 7 iso 0 dist 7.63923 8.23095 8.91283 8.10444 5.79139 13.4408 numMergedOcc 0
28 mol 79 unq 8 iso 0 dist 8.33791 7.38548 5.63083 8.25967 6.86517 9.21098 numMergedOcc 0
29 mol 79 unq 9 iso 0 dist 8.33791 8.2992 7.01314 8.25967 6.86517 12.1881 numMergedOcc 0
30 mol 79 unq 10 iso 0 dist 8.33791 6.72546 11.179 8.25967 6.86517 13.6707 numMergedOcc 0
31 mol 79 unq 11 iso 0 dist 8.2992 8.33791 7.01314 7.21092 9.99805 14.0221 numMergedOcc 0
32 mol 79 unq 12 iso 0 dist 8.2992 7.38548 8.44801 7.21092 9.99805 13.2872 numMergedOcc 0
33 mol 79 unq 13 iso 0 dist 8.2992 6.72546 9.19853 7.21092 9.99805 8.84225 numMergedOcc 0
34 mol 79 unq 14 iso 0 dist 6.72546 8.33791 11.179 7.21092 8.84225 14.0221 numMergedOcc 0
35 mol 79 unq 15 iso 0 dist 6.72546 7.38548 7.13643 7.21092 8.84225 13.2872 numMergedOcc 0
36 mol 79 unq 16 iso 0 dist 6.72546 8.2992 9.19853 7.21092 8.84225 9.99805 numMergedOcc 0
37 mol 113 unq 0 iso 0 dist 6.23759 5.35711 7.41778 4.09459 7.40338 9.34113 numMergedOcc 0
38 mol 141 unq 0 iso 0 dist 9.35867 8.40695 5.71798 6.59975 9.38036 11.1674 numMergedOcc 0
39 mol 148 unq 0 iso 0 dist 9.17462 8.74878 10.1972 4.32771 5.75959 10.0716 numMergedOcc 0
40 mol 148 unq 1 iso 0 dist 9.17462 8.74878 10.1972 5.84014 6.6946 11.5421 numMergedOcc 0
41 mol 150 unq 0 iso 0 dist 9.01668 8.74018 10.2556 4.39943 5.4798 10.0288 numMergedOcc 0
42 mol 150 unq 1 iso 0 dist 9.01668 8.74018 10.2556 5.93611 6.32391 11.5569 numMergedOcc 0
43 mol 169 unq 0 iso 0 dist 7.85698 8.75484 16.4124 4.2485 6.35799 11.6843 numMergedOcc 0
44 mol 169 unq 1 iso 0 dist 6.35799 5.41121 7.75905 4.2485 7.85698 9.57683 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 9.17562 6.81516 10.1158 12.0318 5.59832 15.0916 numMergedOcc 0
46 mol 256 unq 0 iso 0 dist 6.63831 9.23909 10.8932 4.56465 8.08629 9.66515 numMergedOcc 0
47 mol 256 unq 1 iso 0 dist 6.63831 9.23909 10.8932 8.02729 9.03979 10.8954 numMergedOcc 0
48 mol 256 unq 2 iso 0 dist 9.23909 6.63831 10.8932 9.60398 9.16597 15.0756 numMergedOcc 0
49 mol 278 unq 0 iso 0 dist 8.1769 7.1656 4.88683 17.0344 9.9444 14.5823 numMergedOcc 0
