0 mol 95 unq 0 iso 0 dist 8.4204 8.57607 15.7954 7.84956 12.8132 10.3056 4.16047 9.49454 8.27883 11.5783 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 7.84956 12.8132 10.3056 8.68514 15.8861 7.7152 14.2275 numMergedOcc 0
2 mol 95 unq 2 iso 0 dist 8.4204 8.57607 15.7954 6.1991 10.4348 6.27231 4.16047 9.49454 8.27883 5.75428 numMergedOcc 0
3 mol 95 unq 3 iso 0 dist 8.4204 8.57607 15.7954 6.1991 10.4348 6.27231 8.68514 15.8861 7.7152 10.0848 numMergedOcc 0
4 mol 95 unq 4 iso 0 dist 8.4204 8.57607 15.7954 5.96246 5.88327 11.734 4.16047 9.49454 8.27883 8.57395 numMergedOcc 0
5 mol 95 unq 5 iso 0 dist 8.4204 8.57607 15.7954 5.96246 5.88327 11.734 8.68514 15.8861 7.7152 14.2618 numMergedOcc 0
6 mol 95 unq 6 iso 0 dist 8.4204 6.1991 10.4348 7.84956 12.8132 9.77913 4.16047 9.49454 5.75428 11.5783 numMergedOcc 0
7 mol 95 unq 7 iso 0 dist 8.4204 6.1991 10.4348 8.57607 15.7954 6.27231 4.16047 9.49454 5.75428 8.27883 numMergedOcc 0
8 mol 95 unq 8 iso 0 dist 8.4204 6.1991 10.4348 5.96246 5.88327 6.95874 4.16047 9.49454 5.75428 8.57395 numMergedOcc 0
9 mol 95 unq 9 iso 0 dist 8.4204 5.96246 5.88327 7.84956 12.8132 7.51315 4.16047 9.49454 8.57395 11.5783 numMergedOcc 0
10 mol 95 unq 10 iso 0 dist 8.4204 5.96246 5.88327 8.57607 15.7954 11.734 4.16047 9.49454 8.57395 8.27883 numMergedOcc 0
11 mol 95 unq 11 iso 0 dist 8.4204 5.96246 5.88327 6.1991 10.4348 6.95874 4.16047 9.49454 8.57395 5.75428 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 6.37954 3.94967 6.70343 15.3018 12.5931 9.64383 14.0897 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 6.37954 3.94967 6.70343 9.41666 4.47349 7.54889 5.2571 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.21813 5.91797 3.92737 6.37954 3.94967 6.70343 9.57791 5.65185 7.78931 8.7497 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 5.90686 6.7117 5.10496 9.81956 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 11.2946 9.42961 5.92242 10.8223 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 9.41666 4.47349 5.2571 7.54889 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 5.21813 6.37954 3.94967 5.91797 3.92737 6.70343 9.57791 5.65185 8.7497 7.78931 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 6.14652 6.93712 5.83782 6.47007 12.1214 6.42772 9.70973 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 6.08299 7.76446 11.5269 6.14652 6.93712 5.83782 10.4858 9.94764 9.1998 8.69531 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 6.08299 7.76446 11.5269 6.14652 6.93712 5.83782 14.3375 15.049 8.70621 10.3432 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 6.08299 6.14652 6.93712 7.76446 11.5269 5.83782 7.07625 6.23142 9.33094 11.0808 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 6.08299 6.14652 6.93712 7.76446 11.5269 5.83782 10.4858 9.94764 8.69531 9.1998 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 8.09403 4.67256 5.33725 4.59843 6.42735 8.97589 5.96423 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 8.33147 3.7949 5.33725 4.59843 6.42735 5.96423 8.97589 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 9.00537 4.03697 7.15345 4.70216 10.5615 9.3498 13.6831 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 6.19189 6.04336 3.78314 9.00537 4.03697 7.15345 6.13422 7.76163 7.05695 11.651 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 6.19189 9.00537 4.03697 6.04336 3.78314 7.15345 11.4985 10.6519 8.90571 14.0048 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 6.19189 9.00537 4.03697 6.04336 3.78314 7.15345 9.40374 8.73217 6.61112 10.8806 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.32542 6.32553 5.28417 9.71147 8.8607 8.01847 9.40714 6.03688 6.52816 13.5527 numMergedOcc 0
31 mol 213 unq 0 iso 0 dist 9.65238 8.04327 8.75651 8.38045 5.68665 5.04116 7.18317 7.37798 8.21793 9.29723 numMergedOcc 0
32 mol 217 unq 0 iso 0 dist 5.88992 9.41353 11.304 8.28155 9.98266 6.12994 5.33123 11.1338 9.62437 9.70417 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 7.30188 6.56525 3.85188 5.78671 5.42682 6.68192 5.8297 8.76935 7.10671 10.5333 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 7.30188 6.56525 3.85188 5.46817 4.21383 6.67199 5.8297 8.76935 7.10671 8.67156 numMergedOcc 0
35 mol 243 unq 2 iso 0 dist 7.30188 5.46817 4.21383 5.78671 5.42682 4.09189 5.8297 8.76935 8.67156 10.5333 numMergedOcc 0
36 mol 243 unq 3 iso 0 dist 7.30188 5.46817 4.21383 6.56525 3.85188 6.67199 5.8297 8.76935 8.67156 7.10671 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.18864 9.61255 16.6645 7.64703 10.3776 13.5848 7.62102 11.3835 9.30212 6.4611 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 8.18864 7.64703 10.3776 9.61255 16.6645 13.5848 7.62102 11.3835 6.4611 9.30212 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.02385 7.26637 4.05042 9.88022 11.7578 12.3271 6.07975 7.23721 7.24366 14.8033 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 5.02385 7.26637 4.05042 9.88198 9.85432 13.095 6.07975 7.23721 7.24366 10.2562 numMergedOcc 0
41 mol 279 unq 2 iso 0 dist 5.02385 9.88198 9.85432 9.88022 11.7578 19.0111 10.7368 13.337 6.35028 18.98 numMergedOcc 0
42 mol 279 unq 3 iso 0 dist 5.02385 9.88198 9.85432 7.26637 4.05042 13.095 10.7368 13.337 6.35028 16.5279 numMergedOcc 0
