0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 4.50502 5.96833 7.27254 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.84314 9.71516 7.05919 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.84314 9.81658 7.05919 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 6.4934 8.72023 6.31611 5.48225 5.9809 8.25405 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 8.25132 5.84066 6.73167 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.16962 5.69955 4.80984 4.94205 11.8063 7.40948 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 6.73162 8.44506 8.13684 7.11305 9.96121 6.38243 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 4.00553 10.1478 6.87028 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.58407 7.27383 10.8775 4.00553 10.7327 6.87028 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.36431 6.61823 10.4141 5.31547 13.3865 6.98037 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.36431 6.61823 10.4141 4.3481 10.5758 6.9223 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 8.36431 6.49956 4.36639 4.3481 10.5758 7.0561 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 5.03039 13.0432 8.4965 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 6.9194 6.55202 9.6121 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 10.7549 9.93613 8.66815 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 8.57203 12.3382 6.78801 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 12.6005 12.3382 6.78801 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 9.51418 9.29384 15.1974 12.6005 20.4658 6.78801 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 16.4114 15.8119 8.48313 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 12.8086 14.0978 6.99345 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 8.79571 8.20836 9.65798 7.41373 11.7151 5.11043 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 8.19104 5.39064 5.39245 4.91618 6.88846 7.19291 numMergedOcc 0
23 mol 140 unq 1 iso 0 dist 8.19104 5.39064 5.39245 4.75859 10.1171 6.66504 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 13.2918 12.0433 6.77921 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 8.96511 4.92088 7.07052 6.42973 12.6109 8.25282 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 7.01383 8.54827 5.45974 6.2342 10.9213 9.20493 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 10.0756 12.0979 5.53324 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 11.8031 10.6632 6.72182 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 10.463 11.4718 5.53324 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 4.66791 7.10155 6.72182 numMergedOcc 0
31 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 10.463 16.4919 5.53324 numMergedOcc 0
32 mol 194 unq 5 iso 0 dist 6.15769 8.83356 13.9521 4.66791 9.48418 6.72182 numMergedOcc 0
33 mol 194 unq 6 iso 0 dist 8.38695 8.2654 6.8278 12.8494 12.0979 5.53324 numMergedOcc 0
34 mol 194 unq 7 iso 0 dist 8.38695 8.2654 6.8278 7.73551 10.6632 6.72182 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 6.04871 5.87439 6.34234 numMergedOcc 0
36 mol 195 unq 1 iso 0 dist 8.36117 7.62942 9.08602 8.04534 14.8033 7.87972 numMergedOcc 0
37 mol 195 unq 2 iso 0 dist 6.77578 7.62942 8.18628 6.04871 8.18059 6.34234 numMergedOcc 0
38 mol 195 unq 3 iso 0 dist 6.77578 7.62942 8.18628 8.04534 12.7484 7.87972 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 8.53199 6.29511 10.1198 6.0516 14.2825 8.04838 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.19953 8.37597 8.5129 5.13732 5.73591 8.54702 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 4.69247 10.4959 5.28771 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 4.1511 7.79951 5.28771 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 4.69247 7.79951 5.28771 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 8.83563 5.87815 4.3387 5.73883 12.1795 9.71916 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 11.5307 14.3086 9.14068 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 9.02188 7.71657 8.12927 4.74189 11.6498 8.20485 numMergedOcc 0
47 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 4.51728 10.7567 7.49391 numMergedOcc 0
48 mol 276 unq 1 iso 0 dist 8.71541 7.23916 5.86074 12.2368 10.7567 7.49391 numMergedOcc 0
