0 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 7.401 6.47855 10.3659 7.33969 4.85203 11.4675 6.24515 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.45237 6.42248 8.16689 7.401 6.47855 5.7332 7.33969 4.85203 10.0778 6.24515 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.99408 7.39653 8.13782 8.26635 7.21995 9.85038 12.1265 5.79982 11.9396 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.99408 7.39653 8.13782 13.4503 9.62637 13.1805 12.1265 5.79982 11.9396 6.01423 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 9.3403 10.6095 8.13782 5.05051 7.21995 9.85038 11.989 5.79982 11.9396 7.70625 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 9.3403 10.6095 8.13782 10.6148 9.62637 13.1805 11.989 5.79982 11.9396 6.01423 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.63333 10.6476 6.96494 10.2049 9.11258 13.4366 17.4911 13.9773 19.005 7.6481 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 8.63333 5.92889 7.01363 10.2049 9.11258 8.88332 17.4911 13.9773 15.9804 7.6481 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 5.49591 9.11258 13.4366 12.7237 13.9773 19.005 7.6481 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 8.89374 7.05413 7.01363 5.49591 9.11258 8.88332 12.7237 13.9773 15.9804 7.6481 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.46761 8.74789 6.96494 5.85698 9.11258 13.4366 10.5905 13.9773 19.005 7.6481 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 6.46761 6.61756 7.01363 5.85698 9.11258 8.88332 10.5905 13.9773 15.9804 7.6481 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 9.73139 7.02095 6.96494 12.2123 9.11258 13.4366 15.9825 13.9773 19.005 7.6481 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 9.73139 8.94672 7.01363 12.2123 9.11258 8.88332 15.9825 13.9773 15.9804 7.6481 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 11.8516 5.74742 10.3192 6.13559 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 17.4431 12.0339 9.49413 6.51395 numMergedOcc 0
16 mol 114 unq 2 iso 0 dist 6.73814 6.95201 8.39249 13.7032 9.83981 14.0577 11.8516 5.74742 12.6987 6.13559 numMergedOcc 0
17 mol 114 unq 3 iso 0 dist 6.73814 6.95201 8.39249 13.7032 9.83981 14.0577 17.4431 12.0339 15.6982 6.51395 numMergedOcc 0
18 mol 114 unq 4 iso 0 dist 6.73814 5.9968 8.93623 13.7032 9.83981 10.6837 11.8516 5.74742 11.5163 6.13559 numMergedOcc 0
19 mol 114 unq 5 iso 0 dist 6.73814 5.9968 8.93623 13.7032 9.83981 10.6837 17.4431 12.0339 16.0876 6.51395 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 7.16254 4.9093 6.51096 10.4923 9.0529 7.6506 9.86313 7.63368 10.3514 7.55196 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 7.16254 10.7896 8.73171 10.4923 9.0529 6.00473 9.86313 7.63368 11.8293 7.55196 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 9.86313 13.5062 7.37901 10.4923 7.55196 6.40403 7.16254 7.63368 13.2154 9.0529 numMergedOcc 0
23 mol 155 unq 3 iso 0 dist 9.14392 6.3437 6.51096 6.89781 9.0529 7.6506 7.51198 7.63368 10.3514 7.55196 numMergedOcc 0
24 mol 155 unq 4 iso 0 dist 9.14392 9.99927 8.73171 6.89781 9.0529 6.00473 7.51198 7.63368 11.8293 7.55196 numMergedOcc 0
25 mol 155 unq 5 iso 0 dist 7.51198 8.27726 7.37901 6.89781 7.55196 6.40403 9.14392 7.63368 13.2154 9.0529 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.8589 11.0415 4.79852 14.7282 6.99693 4.57622 15.2767 6.79946 10.1855 8.99988 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 7.24908 5.0384 4.79852 9.30597 6.99693 4.57622 13.7618 6.79946 10.1855 8.99988 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.94688 8.25067 8.20656 6.6251 9.06217 14.048 6.71012 5.3528 9.40622 7.13252 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.71012 8.25067 9.40622 6.6251 7.13252 14.048 6.94688 5.3528 8.20656 9.06217 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 10.0059 7.43663 7.17691 10.475 9.35875 11.8534 7.94068 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 9.5707 12.1076 9.6101 10.0059 7.43663 4.51304 10.475 9.35875 5.32183 7.94068 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 9.39181 6.29366 5.32183 5.08515 7.94068 4.51304 11.8897 9.35875 9.6101 7.43663 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 9.39181 6.29366 5.32183 12.6661 7.22019 6.56416 16.1792 9.51353 12.2448 9.25517 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 8.14172 5.68826 6.00721 12.2874 8.90076 13.3255 12.7101 12.6844 14.5243 6.87131 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 8.14172 5.68826 6.00721 12.2874 8.90076 13.3255 8.09066 10.9258 11.5207 8.09718 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 8.14172 5.68826 6.00721 7.11984 6.62002 9.71156 12.7101 12.6844 14.5243 9.69818 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 8.14172 5.68826 6.00721 7.11984 6.62002 9.71156 8.09066 10.9258 11.5207 6.73446 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 6.77463 4.87097 6.00721 10.4017 8.90076 13.3255 9.93432 12.6844 14.5243 6.87131 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 6.77463 4.87097 6.00721 10.4017 8.90076 13.3255 7.2766 10.9258 11.5207 8.09718 numMergedOcc 0
40 mol 238 unq 6 iso 0 dist 6.77463 4.87097 6.00721 7.95232 6.62002 9.71156 9.93432 12.6844 14.5243 9.69818 numMergedOcc 0
41 mol 238 unq 7 iso 0 dist 6.77463 4.87097 6.00721 7.95232 6.62002 9.71156 7.2766 10.9258 11.5207 6.73446 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 7.50578 11.5772 8.76313 14.3125 8.92185 5.19922 11.1925 4.85051 10.0527 7.7574 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 7.50578 7.44916 7.4363 14.3125 8.92185 10.2977 11.1925 4.85051 11.3712 7.7574 numMergedOcc 0
