0 mol 54 unq 0 iso 0 dist 9.5915 4.38047 12.377 2.97898 12.0514 5.27979 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.16403 7.7913 10.4698 14.5986 14.3809 6.89071 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.59503 7.11438 12.841 12.6706 14.0026 8.4219 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.59503 7.7913 4.1125 14.5986 7.7399 6.89071 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.61119 7.11438 15.4853 12.6706 19.444 8.4219 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 3.77247 9.86767 5.35711 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.64281 5.37302 9.01097 7.1034 14.8951 6.23759 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.72434 8.4733 13.0801 3.80816 10.6073 6.21165 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 5.51254 12.4982 9.62774 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 7.13766 6.48066 6.12453 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 9.76722 8.90876 6.62718 7.29489 11.6064 9.87447 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.83308 5.51388 9.12553 3.89732 9.58901 5.41121 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.83308 5.51388 9.12553 7.16323 15.1025 6.35799 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 8.97159 5.51388 12.8642 3.89732 12.436 5.41121 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 8.97159 5.51388 12.8642 7.16323 14.5779 6.35799 numMergedOcc 0
15 mol 169 unq 4 iso 0 dist 8.44483 7.79437 15.222 4.24401 7.78577 9.84538 numMergedOcc 0
16 mol 169 unq 5 iso 0 dist 8.44483 8.17917 10.711 7.68348 13.9288 5.41121 numMergedOcc 0
17 mol 169 unq 6 iso 0 dist 8.44483 8.17917 10.711 3.69097 7.50458 6.35799 numMergedOcc 0
18 mol 169 unq 7 iso 0 dist 9.79864 7.79437 13.8794 4.24401 12.4926 9.84538 numMergedOcc 0
19 mol 169 unq 8 iso 0 dist 9.73241 7.79437 8.15907 4.24401 13.7977 9.84538 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 3.55808 8.17301 9.20617 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 6.33098 8.17301 9.20617 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 9.5523 9.37017 5.23385 11.2153 13.3673 8.4784 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 15.1141 13.0697 9.30179 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 5.06669 8.08939 4.38246 3.62882 5.16859 6.10489 numMergedOcc 0
25 mol 244 unq 2 iso 0 dist 5.06669 8.08939 4.38246 7.8506 4.79207 4.4204 numMergedOcc 0
26 mol 244 unq 3 iso 0 dist 5.65248 7.33574 4.38246 12.1511 13.0697 9.30179 numMergedOcc 0
27 mol 244 unq 4 iso 0 dist 5.65248 7.33574 4.38246 5.2503 5.16859 6.10489 numMergedOcc 0
28 mol 244 unq 5 iso 0 dist 5.65248 7.33574 4.38246 3.66626 4.79207 4.4204 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.40339 6.58109 4.20164 14.8497 12.1989 8.76518 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.37512 8.63176 5.32742 10.3385 11.7178 9.36974 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 5.03123 8.23877 4.08297 9.30848 8.87916 9.21276 numMergedOcc 0
