0 mol 10 unq 0 iso 0 dist 9.39017 12.4032 5.59965 18.836 9.76721 7.8329 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.52857 11.8349 7.92714 14.2176 6.55567 9.8142 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.37378 7.11548 6.03257 9.58989 11.6414 6.31608 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.23202 5.74722 8.0543 8.38624 6.64571 9.42876 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.50475 12.3426 8.29857 18.784 12.4707 8.12997 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.50475 12.3426 8.29857 15.2992 8.98812 6.13153 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.50475 12.3426 8.29857 9.55284 3.50984 5.7836 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.50475 12.3426 8.29857 17.9627 11.7253 7.32996 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 8.50475 12.3426 8.29857 18.1488 12.69 5.89173 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.66163 11.2238 8.29857 18.3153 12.4707 8.12997 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 7.66163 11.2238 8.29857 15.1057 8.98812 6.13153 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 7.66163 11.2238 8.29857 7.36877 3.50984 5.7836 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 7.66163 11.2238 8.29857 15.1468 11.7253 7.32996 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 7.66163 11.2238 8.29857 16.4502 12.69 5.89173 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 9.48288 15.6905 8.29857 21.7303 12.4707 8.12997 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 9.48288 15.6905 8.29857 18.2327 8.98812 6.13153 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 9.48288 15.6905 8.29857 10.9073 3.50984 5.7836 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 9.48288 15.6905 8.29857 19.2894 11.7253 7.32996 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 9.48288 15.6905 8.29857 20.8535 12.69 5.89173 numMergedOcc 0
19 mol 48 unq 15 iso 0 dist 7.1796 11.0606 8.19993 17.9657 12.5401 7.84895 numMergedOcc 0
20 mol 48 unq 16 iso 0 dist 7.1796 11.0606 8.19993 14.7535 9.01489 5.8541 numMergedOcc 0
21 mol 48 unq 17 iso 0 dist 7.1796 11.0606 8.19993 6.89752 3.65036 5.82264 numMergedOcc 0
22 mol 48 unq 18 iso 0 dist 7.1796 11.0606 8.19993 14.8083 11.7978 7.20729 numMergedOcc 0
23 mol 48 unq 19 iso 0 dist 7.1796 11.0606 8.19993 16.0979 12.5721 5.72703 numMergedOcc 0
24 mol 48 unq 20 iso 0 dist 9.16212 15.6648 8.19993 21.5537 12.5401 7.84895 numMergedOcc 0
25 mol 48 unq 21 iso 0 dist 9.16212 15.6648 8.19993 18.0487 9.01489 5.8541 numMergedOcc 0
26 mol 48 unq 22 iso 0 dist 9.16212 15.6648 8.19993 10.6705 3.65036 5.82264 numMergedOcc 0
27 mol 48 unq 23 iso 0 dist 9.16212 15.6648 8.19993 19.0758 11.7978 7.20729 numMergedOcc 0
28 mol 48 unq 24 iso 0 dist 9.16212 15.6648 8.19993 20.6116 12.5721 5.72703 numMergedOcc 0
29 mol 79 unq 0 iso 0 dist 5.33546 9.40625 9.78384 15.442 13.2204 7.56495 numMergedOcc 0
30 mol 79 unq 1 iso 0 dist 5.33546 9.40625 9.78384 13.3239 10.8598 7.63923 numMergedOcc 0
31 mol 79 unq 2 iso 0 dist 5.33546 9.40625 9.78384 11.9347 8.81685 8.23095 numMergedOcc 0
32 mol 79 unq 3 iso 0 dist 5.72627 4.39227 8.03296 11.5693 8.85563 9.99805 numMergedOcc 0
33 mol 79 unq 4 iso 0 dist 5.72627 4.39227 8.03296 6.64921 4.37918 8.84225 numMergedOcc 0
34 mol 79 unq 5 iso 0 dist 5.72627 8.32896 9.26979 15.37 13.333 8.33791 numMergedOcc 0
35 mol 79 unq 6 iso 0 dist 5.72627 8.32896 9.26979 12.9584 10.3746 7.38548 numMergedOcc 0
36 mol 79 unq 7 iso 0 dist 5.72627 8.32896 9.26979 11.5693 8.85563 8.2992 numMergedOcc 0
37 mol 79 unq 8 iso 0 dist 5.72627 8.32896 9.26979 6.64921 4.37918 6.72546 numMergedOcc 0
38 mol 79 unq 9 iso 0 dist 7.68741 4.39227 5.82754 11.5693 6.01885 9.99805 numMergedOcc 0
39 mol 79 unq 10 iso 0 dist 7.68741 4.39227 5.82754 6.64921 9.08423 8.84225 numMergedOcc 0
40 mol 79 unq 11 iso 0 dist 7.68741 8.32896 9.05679 15.37 12.313 8.33791 numMergedOcc 0
41 mol 79 unq 12 iso 0 dist 7.68741 8.32896 9.05679 12.9584 12.3366 7.38548 numMergedOcc 0
42 mol 79 unq 13 iso 0 dist 7.68741 8.32896 9.05679 11.5693 6.01885 8.2992 numMergedOcc 0
43 mol 79 unq 14 iso 0 dist 7.68741 8.32896 9.05679 6.64921 9.08423 6.72546 numMergedOcc 0
44 mol 79 unq 15 iso 0 dist 9.76351 16.5814 9.78384 15.37 5.84075 6.86517 numMergedOcc 0
45 mol 79 unq 16 iso 0 dist 9.76351 4.39227 8.87742 11.5693 3.94192 9.99805 numMergedOcc 0
46 mol 79 unq 17 iso 0 dist 9.76351 4.39227 8.87742 6.64921 6.29733 8.84225 numMergedOcc 0
47 mol 79 unq 18 iso 0 dist 9.76351 8.32896 4.93468 15.37 5.84075 8.33791 numMergedOcc 0
48 mol 79 unq 19 iso 0 dist 9.76351 8.32896 4.93468 12.9584 5.41884 7.38548 numMergedOcc 0
49 mol 79 unq 20 iso 0 dist 9.76351 8.32896 4.93468 11.5693 3.94192 8.2992 numMergedOcc 0
50 mol 79 unq 21 iso 0 dist 9.76351 8.32896 4.93468 6.64921 6.29733 6.72546 numMergedOcc 0
51 mol 91 unq 0 iso 0 dist 7.12701 5.06999 8.66165 10.7509 5.21888 9.97813 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 9.75061 8.25083 5.87084 7.34765 4.94367 8.47526 numMergedOcc 0
53 mol 141 unq 0 iso 0 dist 8.81111 11.3783 6.75376 11.44 3.80763 9.59109 numMergedOcc 0
54 mol 141 unq 1 iso 0 dist 5.66405 11.3783 9.10042 11.44 9.98068 9.59109 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 6.58212 10.8189 6.21159 10.8415 5.39534 5.25762 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 9.74449 10.3756 4.98734 12.4005 3.70808 6.63831 numMergedOcc 0
57 mol 256 unq 1 iso 0 dist 9.74449 10.3756 4.98734 7.44294 7.27053 9.23909 numMergedOcc 0
58 mol 256 unq 2 iso 0 dist 9.74449 13.5199 6.37963 12.4005 3.70808 8.08629 numMergedOcc 0
59 mol 256 unq 3 iso 0 dist 9.74449 6.37659 8.16803 12.4005 3.70808 9.03979 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 9.35976 10.7039 8.20644 14.9391 12.1127 6.23115 numMergedOcc 0
