0 mol 2 unq 0 iso 0 dist 7.37296 9.04604 8.66587 11.2776 9.58976 16.969 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 7.37296 9.04604 8.66587 11.0228 9.57645 15.5877 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.88676 9.47421 5.1298 5.66097 5.84479 5.47769 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.88676 9.47421 5.1298 6.06561 8.67719 6.58035 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.79881 5.53875 4.94373 5.92411 5.94778 6.91734 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.24183 8.64746 5.78769 6.41829 6.6003 9.54144 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 7.24183 8.64746 5.78769 6.13923 6.44118 11.3063 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 9.96864 6.78459 14.4345 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 5.43401 6.793 6.83631 7.49575 9.10229 9.94856 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.96689 9.17877 13.5727 11.9436 9.48243 15.6014 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 6.4737 9.01078 5.33859 7.20811 9.74498 11.9028 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 6.21546 7.77669 5.2437 5.73338 8.69888 11.4911 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 6.03184 7.77669 7.87691 5.52686 9.57611 10.9584 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 6.03184 7.77669 7.87691 5.73338 5.08206 11.4911 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 5.69763 6.8093 5.06149 11.4562 9.48439 10.2862 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.38622 8.40972 5.45144 5.55582 7.32478 6.15769 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 8.82165 8.40972 10.0346 5.55582 9.48439 6.15769 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.57712 5.00266 7.84277 6.19375 7.31105 6.99002 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 7.57564 7.97754 6.83716 4.21803 7.82697 11.0389 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.62593 8.15582 10.2497 11.4653 9.33771 13.5141 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.62593 8.15582 10.2497 12.5358 7.39839 15.1173 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 7.58998 8.76325 9.57742 6.87755 6.23882 7.06793 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 7.20862 7.45381 6.05562 10.5706 9.5723 13.3023 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 5.2851 6.20188 6.07589 5.14019 9.18675 5.86443 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 5.2851 9.47836 9.95811 5.14019 9.18675 7.22914 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.13126 5.77356 10.3827 5.52669 9.10613 10.6445 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 9.13126 9.24309 12.2148 5.52669 9.10613 10.5433 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 5.57184 6.40309 6.23871 9.76195 6.83152 12.0632 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 5.57184 6.40309 6.23871 7.01206 5.24313 7.67322 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.57184 7.87164 10.1372 9.76195 6.83152 16.3609 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 5.57184 7.87164 10.1372 7.01206 5.24313 12.3367 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 6.00654 4.57548 5.28695 10.1196 9.37996 12.8879 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 8.11968 9.83514 4.11367 9.48478 8.71859 6.07192 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 6.18866 9.02486 4.16447 6.28944 5.78121 8.96876 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 6.18866 9.02486 4.16447 12.5843 7.29898 8.83735 numMergedOcc 0
35 mol 249 unq 2 iso 0 dist 9.3807 9.02486 6.74838 12.5843 8.91685 8.83735 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.97411 6.73928 5.28906 4.6881 5.73296 6.49982 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 8.87405 9.95186 4.8589 8.66976 9.82774 6.35287 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.60951 8.7448 4.93259 4.59796 8.10742 7.52785 numMergedOcc 0
