0 mol 19 unq 0 iso 0 dist 6.00439 7.48847 6.34272 4.23427 6.38574 9.66242 10.8007 7.82528 6.92532 10.0411 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.00439 7.48847 6.34272 4.23427 6.38574 9.66242 10.6598 10.2708 6.36455 10.9814 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.82528 6.92532 6.34272 10.0411 6.38574 9.66242 10.8007 6.00439 7.48847 4.23427 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.82528 6.92532 6.34272 10.0411 6.38574 9.66242 5.03957 10.2708 6.36455 10.9814 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 15.962 7.84204 12.526 9.78225 10.9838 8.6385 18.0456 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.06308 6.06454 5.94047 9.89212 9.44125 13.3301 5.24762 6.34173 9.44459 5.84319 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 6.34173 9.44459 5.94047 5.84319 9.44125 13.3301 5.24762 7.06308 6.06454 9.89212 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.34122 6.54023 4.95817 6.93285 5.48202 7.34145 5.22626 13.4942 9.31969 12.0751 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 4.73407 7.78587 11.3605 5.4148 4.65521 8.73253 5.17781 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 4.65521 8.73253 11.2505 5.17781 7.78587 11.3605 5.4148 8.70133 7.04044 4.73407 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 6.75624 9.75587 13.11 6.21253 11.8898 7.86572 10.2094 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.71012 6.51749 12.69 11.618 7.61421 17.8064 10.1912 15.4777 7.20392 21.3999 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 11.7478 9.76225 10.2596 8.0179 11.6993 8.12346 9.44432 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 11.7478 9.76225 10.2596 14.6506 11.9484 8.83356 10.5261 numMergedOcc 0
14 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 11.7478 9.76225 10.2596 8.48054 8.38695 8.2654 3.77029 numMergedOcc 0
15 mol 194 unq 3 iso 0 dist 8.38695 8.2654 6.8278 3.77029 9.76225 10.2596 8.48054 6.47873 6.26839 11.7478 numMergedOcc 0
16 mol 194 unq 4 iso 0 dist 8.38695 8.2654 6.8278 3.77029 9.76225 10.2596 6.26298 11.6993 8.12346 9.44432 numMergedOcc 0
17 mol 194 unq 5 iso 0 dist 8.38695 8.2654 6.8278 3.77029 9.76225 10.2596 11.6097 11.9484 8.83356 10.5261 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 13.8525 7.91374 19.0414 8.59858 14.5666 7.56091 21.6219 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.25105 8.24186 13.0974 13.8525 7.91374 19.0414 5.88703 7.85175 7.5366 12.7879 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 9.5707 7.5366 16.5499 12.7879 5.69634 19.0414 9.82284 17.3705 7.56091 21.6219 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 9.5707 7.5366 16.5499 12.7879 5.69634 19.0414 5.88703 10.3388 8.24186 13.8525 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 7.85175 7.5366 13.0974 12.7879 7.91374 19.0414 9.82284 14.5666 7.56091 21.6219 numMergedOcc 0
23 mol 234 unq 5 iso 0 dist 7.85175 7.5366 13.0974 12.7879 7.91374 19.0414 5.88703 6.25105 8.24186 13.8525 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.90142 6.66971 5.8333 8.71924 8.54425 10.8578 5.40359 5.9216 6.4398 4.56594 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.90142 6.66971 5.8333 8.71924 8.54425 10.8578 10.0191 10.7386 7.32982 14.2741 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 5.9216 6.4398 5.8333 4.56594 8.54425 10.8578 5.40359 9.90142 6.66971 8.71924 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 5.9216 6.4398 5.8333 4.56594 8.54425 10.8578 10.1648 10.7386 7.32982 14.2741 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 5.96249 8.22608 13.8208 9.98105 14.5785 8.55558 15.5567 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 6.77938 8.59697 12.1218 5.97386 5.23503 14.1339 9.98105 14.5785 8.55558 14.7507 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 7.76676 8.59697 9.22203 5.97386 9.61028 14.1339 9.98105 10.4634 8.55558 14.7507 numMergedOcc 0
