0 mol 34 unq 0 iso 0 dist 7.66913 5.39587 9.12176 6.47252 9.21138 11.6209 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 7.66913 6.47252 9.21138 5.39587 9.12176 11.6209 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.13606 8.63204 8.92835 5.4014 5.07553 4.97731 numMergedOcc 0
3 mol 70 unq 0 iso 1 dist 6.13606 5.4014 5.07553 8.63204 8.92835 4.97731 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.42287 9.19079 8.92835 8.37742 5.07553 4.97731 numMergedOcc 0
5 mol 70 unq 1 iso 1 dist 8.42287 8.37742 5.07553 9.19079 8.92835 4.97731 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 8.57607 15.7954 10.3056 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 8.4204 8.57607 15.7954 7.84956 12.8132 10.3056 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.4204 7.84956 12.8132 6.1991 10.4348 9.77913 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 8.4204 6.1991 10.4348 7.84956 12.8132 9.77913 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 8.4204 7.84956 12.8132 5.96246 5.88327 7.51315 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 8.4204 5.96246 5.88327 7.84956 12.8132 7.51315 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 6.1991 10.4348 6.27231 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 8.4204 6.1991 10.4348 8.57607 15.7954 6.27231 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 8.4204 8.57607 15.7954 5.96246 5.88327 11.734 numMergedOcc 0
15 mol 95 unq 2 iso 1 dist 8.4204 5.96246 5.88327 8.57607 15.7954 11.734 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.4204 6.1991 10.4348 5.96246 5.88327 6.95874 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 8.4204 5.96246 5.88327 6.1991 10.4348 6.95874 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 6.37954 3.94967 6.70343 numMergedOcc 0
19 mol 98 unq 0 iso 1 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 5.08086 8.8639 5.75739 7.32009 5.46083 3.62051 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 5.08086 7.32009 5.46083 8.8639 5.75739 3.62051 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 6.14652 6.93712 5.83782 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 6.08299 6.14652 6.93712 7.76446 11.5269 5.83782 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 7.48065 4.60149 7.19559 numMergedOcc 0
25 mol 173 unq 0 iso 1 dist 8.76228 7.48065 4.60149 8.46046 11.3761 7.19559 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 8.09403 4.67256 5.33725 numMergedOcc 0
27 mol 184 unq 0 iso 1 dist 6.71675 8.09403 4.67256 8.33147 3.7949 5.33725 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 9.00537 4.03697 7.15345 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 6.19189 9.00537 4.03697 6.04336 3.78314 7.15345 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 6.0685 9.16579 6.42554 8.95209 3.87082 9.58899 numMergedOcc 0
31 mol 186 unq 1 iso 1 dist 6.0685 8.95209 3.87082 9.16579 6.42554 9.58899 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.32542 9.71147 8.8607 6.32553 5.28417 8.01847 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 6.32542 6.32553 5.28417 9.71147 8.8607 8.01847 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 9.65238 8.38045 5.68665 8.04327 8.75651 5.04116 numMergedOcc 0
35 mol 213 unq 0 iso 1 dist 9.65238 8.04327 8.75651 8.38045 5.68665 5.04116 numMergedOcc 0
36 mol 217 unq 0 iso 0 dist 5.88992 9.41353 11.304 8.28155 9.98266 6.12994 numMergedOcc 0
37 mol 217 unq 0 iso 1 dist 5.88992 8.28155 9.98266 9.41353 11.304 6.12994 numMergedOcc 0
38 mol 243 unq 0 iso 0 dist 7.30188 5.78671 5.42682 6.56525 3.85188 6.68192 numMergedOcc 0
39 mol 243 unq 0 iso 1 dist 7.30188 6.56525 3.85188 5.78671 5.42682 6.68192 numMergedOcc 0
40 mol 243 unq 1 iso 0 dist 7.30188 5.78671 5.42682 5.46817 4.21383 4.09189 numMergedOcc 0
41 mol 243 unq 1 iso 1 dist 7.30188 5.46817 4.21383 5.78671 5.42682 4.09189 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 7.30188 6.56525 3.85188 5.46817 4.21383 6.67199 numMergedOcc 0
43 mol 243 unq 1 iso 1 dist 7.30188 5.46817 4.21383 6.56525 3.85188 6.67199 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 8.18864 9.61255 16.6645 7.64703 10.3776 13.5848 numMergedOcc 0
45 mol 274 unq 0 iso 1 dist 8.18864 7.64703 10.3776 9.61255 16.6645 13.5848 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 5.02385 9.88022 11.7578 7.26637 4.05042 12.3271 numMergedOcc 0
47 mol 279 unq 0 iso 1 dist 5.02385 7.26637 4.05042 9.88022 11.7578 12.3271 numMergedOcc 0
48 mol 279 unq 1 iso 0 dist 5.02385 9.88022 11.7578 9.88198 9.85432 19.0111 numMergedOcc 0
49 mol 279 unq 1 iso 1 dist 5.02385 9.88198 9.85432 9.88022 11.7578 19.0111 numMergedOcc 0
50 mol 279 unq 1 iso 0 dist 5.02385 7.26637 4.05042 9.88198 9.85432 13.095 numMergedOcc 0
51 mol 279 unq 1 iso 1 dist 5.02385 9.88198 9.85432 7.26637 4.05042 13.095 numMergedOcc 0
