0 mol 7 unq 0 iso 0 dist 8.57437 13.63 8.85869 12.5174 5.38328 7.5298 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 13.63 8.85869 17.0507 9.19359 7.87568 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.75667 7.25819 6.61704 11.2408 4.91651 7.72069 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.73526 11.8585 8.38301 10.4835 5.43618 5.95004 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.58346 12.2435 7.84699 9.10386 5.47475 8.40844 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.58346 12.2435 7.84699 10.4391 5.05066 6.99156 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.58346 10.362 7.53504 9.10386 5.47475 8.66342 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.58346 10.362 7.53504 10.4391 5.05066 7.21285 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 5.58346 10.362 7.53504 14.0012 9.51715 6.95094 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.10386 12.2435 8.40844 5.58346 5.47475 7.84699 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.10386 12.2435 8.40844 10.4391 4.4628 6.99156 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.10386 10.362 8.66342 5.58346 5.47475 7.53504 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.10386 10.362 8.66342 10.4391 4.4628 7.21285 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.10386 10.362 8.66342 14.0012 11.6754 6.95094 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 9.78545 14.5223 6.95094 15.6303 9.51715 7.53504 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 9.78545 14.5223 6.95094 14.9113 11.6754 8.66342 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 9.78545 14.5223 6.95094 11.1323 7.64038 7.21285 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 9.97998 11.7502 6.95094 16.0495 9.51715 7.53504 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 9.97998 11.7502 6.95094 14.4349 11.6754 8.66342 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 9.97998 11.7502 6.95094 11.6465 7.64038 7.21285 numMergedOcc 0
20 mol 73 unq 16 iso 0 dist 9.66744 16.9811 7.84699 10.8292 5.47475 8.40844 numMergedOcc 0
21 mol 73 unq 17 iso 0 dist 9.66744 16.9811 7.84699 10.9325 5.05066 6.99156 numMergedOcc 0
22 mol 73 unq 18 iso 0 dist 9.66744 4.5646 7.53504 10.8292 5.47475 8.66342 numMergedOcc 0
23 mol 73 unq 19 iso 0 dist 9.66744 4.5646 7.53504 10.9325 5.05066 7.21285 numMergedOcc 0
24 mol 73 unq 20 iso 0 dist 9.66744 4.5646 7.53504 11.167 9.51715 6.95094 numMergedOcc 0
25 mol 74 unq 0 iso 0 dist 9.80207 7.11496 9.50176 10.7966 5.2199 7.56791 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 5.5199 5.2394 5.51185 11.3496 6.8125 9.1109 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 9.54857 7.56811 7.59973 numMergedOcc 0
28 mol 102 unq 1 iso 0 dist 9.54857 7.92108 7.59973 8.07962 7.56811 9.61113 numMergedOcc 0
29 mol 102 unq 2 iso 0 dist 7.58908 4.51114 9.61113 9.32058 7.56811 7.59973 numMergedOcc 0
30 mol 102 unq 3 iso 0 dist 9.32058 4.51114 7.59973 7.58908 7.56811 9.61113 numMergedOcc 0
31 mol 108 unq 0 iso 0 dist 8.79452 7.94102 7.59313 13.2994 5.90635 7.98377 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.49104 12.0027 9.21999 13.5964 5.63574 7.94564 numMergedOcc 0
33 mol 148 unq 0 iso 0 dist 9.53814 6.07309 5.34451 12.0644 8.38946 9.74966 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.76275 9.43849 7.99446 13.1242 5.72609 7.21636 numMergedOcc 0
35 mol 173 unq 0 iso 0 dist 7.93816 4.56818 9.17063 10.2711 4.5403 9.99332 numMergedOcc 0
36 mol 173 unq 1 iso 0 dist 7.93816 4.56818 9.17063 10.8004 13.1862 7.13369 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 4.96259 6.6215 5.77393 10.2388 8.67658 4.35909 numMergedOcc 0
38 mol 199 unq 0 iso 0 dist 7.16849 4.98653 7.29716 12.9564 9.38427 8.80983 numMergedOcc 0
39 mol 205 unq 0 iso 0 dist 9.32657 7.30488 5.94835 6.21409 6.26321 6.76947 numMergedOcc 0
40 mol 205 unq 1 iso 0 dist 6.21409 7.30488 6.76947 9.32657 6.26321 5.94835 numMergedOcc 0
41 mol 211 unq 0 iso 0 dist 7.38723 9.3095 9.45365 12.9862 9.23863 7.14732 numMergedOcc 0
42 mol 211 unq 1 iso 0 dist 7.38723 5.45968 7.15386 14.1405 10.7154 9.63472 numMergedOcc 0
43 mol 211 unq 2 iso 0 dist 7.38723 9.04294 7.73993 14.1405 10.7154 5.42004 numMergedOcc 0
44 mol 230 unq 0 iso 0 dist 6.61442 6.22182 5.00735 10.7511 5.38279 6.73755 numMergedOcc 0
45 mol 230 unq 1 iso 0 dist 7.10283 5.18766 5.00735 11.229 5.38279 6.73755 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 7.49024 8.79928 9.27042 12.6433 6.19097 9.88818 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 8.15217 4.77555 5.38704 12.207 6.03753 9.30966 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 8.15217 4.77555 5.38704 7.62562 6.07831 8.05503 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 8.15217 6.30262 8.26695 7.62562 6.07831 5.59151 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 8.15217 6.30262 8.26695 11.9196 16.4367 8.17922 numMergedOcc 0
51 mol 274 unq 4 iso 0 dist 7.62562 4.77555 8.05503 12.207 11.568 9.30966 numMergedOcc 0
52 mol 274 unq 5 iso 0 dist 7.62562 4.77555 8.05503 8.15217 6.07831 5.38704 numMergedOcc 0
53 mol 274 unq 6 iso 0 dist 7.62562 6.30262 5.59151 8.15217 6.07831 8.26695 numMergedOcc 0
54 mol 274 unq 7 iso 0 dist 7.62562 6.30262 5.59151 11.9196 12.757 8.17922 numMergedOcc 0
55 mol 274 unq 8 iso 0 dist 8.26851 10.518 9.29005 18.1111 19.0649 9.96645 numMergedOcc 0
56 mol 274 unq 9 iso 0 dist 8.26851 10.518 9.29005 8.14634 5.09461 8.16746 numMergedOcc 0
57 mol 274 unq 10 iso 0 dist 8.14634 10.518 8.16746 18.1111 17.8293 9.96645 numMergedOcc 0
58 mol 274 unq 11 iso 0 dist 8.14634 10.518 8.16746 8.26851 5.09461 9.29005 numMergedOcc 0
