0 mol 26 unq 0 iso 0 dist 8.6112 9.27369 10.5687 5.23054 9.63803 6.07276 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 8.06034 8.23777 10.347 3.82552 9.26141 5.36587 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 7.84249 6.09626 6.62328 4.45743 10.9517 9.26353 numMergedOcc 0
3 mol 112 unq 2 iso 0 dist 7.84249 5.42828 6.43704 3.61827 9.80187 8.72725 numMergedOcc 0
4 mol 112 unq 3 iso 0 dist 7.84249 5.42828 6.43704 3.78964 4.77996 6.11407 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.12336 6.72323 12.6435 11.5628 13.1452 8.83732 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 7.10223 5.60184 9.10645 5.18463 5.06116 8.71789 numMergedOcc 0
7 mol 154 unq 1 iso 0 dist 7.10223 7.08477 4.02111 5.18463 5.06116 5.2693 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.50603 8.88796 4.12331 9.96226 10.2405 9.76044 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.83308 5.51388 9.12553 14.6592 13.7802 9.15283 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.97159 5.51388 12.8642 14.6592 21.104 9.15283 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 8.44483 8.17917 10.711 13.7799 10.7137 9.15283 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 8.59783 6.21194 4.98945 9.12839 6.51523 7.47964 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.97651 8.13947 4.13357 6.61517 11.6628 9.24936 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.31651 8.37379 4.14576 12.7552 10.7535 6.94762 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.31651 8.37379 4.14576 5.69755 11.9592 9.89167 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 10.7011 9.13494 6.53416 numMergedOcc 0
17 mol 244 unq 1 iso 0 dist 5.65248 7.33574 4.38246 7.2524 9.13494 6.53416 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 9.60643 6.81257 5.04243 3.86293 11.8288 9.03998 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 7.79408 6.81257 4.74121 3.86293 11.2735 9.03998 numMergedOcc 0
