0 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 8.7083 14.6955 8.54034 15.851 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 8.7083 14.6955 8.54034 9.741 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 9.88364 13.9632 9.85784 13.6493 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 9.78753 15.2234 9.87996 14.3037 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 15.4313 18.97 9.85784 26.5457 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 14.1829 18.1962 9.87996 24.962 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 10.6808 5.81959 16.0183 5.63212 12.3361 5.20109 15.8541 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 7.73394 6.73167 6.07276 8.25132 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 5.34214 7.80523 10.8469 4.98336 7.55384 12.2341 5.00433 9.78192 7.56755 8.07002 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 13.4066 6.77921 6.65731 13.2918 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 9.35703 11.1022 9.34834 14.4375 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 9.14311 10.6118 5.74846 13.6262 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 9.35703 11.1022 9.34834 10.5058 numMergedOcc 0
13 mol 171 unq 3 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 9.14311 10.6118 5.74846 14.5158 numMergedOcc 0
14 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 14.4375 11.1022 9.34834 9.35703 numMergedOcc 0
15 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 13.6262 10.6118 5.74846 9.14311 numMergedOcc 0
16 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 14.4375 11.1022 9.34834 10.5058 numMergedOcc 0
17 mol 171 unq 7 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 13.6262 10.6118 5.74846 14.5158 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 10.8286 14.6369 9.99396 14.7662 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 10.0756 5.53324 4.19371 10.2793 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 16.4082 11.4466 9.71015 14.7478 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 10.0756 5.53324 4.19371 10.463 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 16.4082 11.4466 9.71015 12.2545 numMergedOcc 0
23 mol 194 unq 4 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 10.0756 5.53324 4.19371 12.8494 numMergedOcc 0
24 mol 194 unq 5 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 16.4082 11.4466 9.71015 17.7772 numMergedOcc 0
25 mol 194 unq 6 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 5.97754 9.996 8.64056 13.9025 numMergedOcc 0
26 mol 194 unq 7 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 5.97754 9.996 8.64056 12.3444 numMergedOcc 0
27 mol 194 unq 8 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 5.97754 9.996 8.64056 8.01991 numMergedOcc 0
28 mol 194 unq 9 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 4.66791 6.72182 9.00322 11.8031 numMergedOcc 0
29 mol 194 unq 10 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 4.66791 6.72182 9.00322 9.09233 numMergedOcc 0
30 mol 194 unq 11 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 4.66791 6.72182 9.00322 7.73551 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 5.41635 6.34234 6.22742 6.04871 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 6.04871 6.34234 6.22742 5.41635 numMergedOcc 0
33 mol 212 unq 0 iso 0 dist 6.29767 8.69988 12.8059 4.12932 8.57827 11.8495 3.9436 5.50658 9.10288 6.47488 numMergedOcc 0
34 mol 212 unq 1 iso 0 dist 6.29767 8.55903 10.7914 4.12932 8.57827 11.3832 3.9436 5.50658 6.19798 6.47488 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 13.089 11.0265 7.39085 11.8321 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 6.67478 8.29305 13.6219 4.14939 7.37478 8.98854 8.70069 numMergedOcc 0
