0 mol 5 unq 0 iso 0 dist 6.93063 5.2522 9.89017 8.4435 11.2349 6.81899 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.86627 5.2522 8.73111 8.4435 8.83747 6.81899 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.98802 8.51489 6.96588 17.2119 13.9307 8.81964 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 5.17072 6.81477 7.13468 8.77833 9.75673 9.38747 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.17072 6.81477 7.13468 13.0188 9.8565 8.99724 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 5.17072 5.88912 9.50693 10.8677 12.5253 7.09381 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 9.03295 6.81477 9.57803 8.77833 5.64235 9.38747 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 9.03295 6.81477 9.57803 13.0188 7.56929 8.99724 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 9.398 7.74845 6.3902 10.7888 5.47667 9.3647 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 9.36759 4.22382 7.32236 11.6914 11.1757 7.67459 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 5.0553 8.43173 7.32236 14.5784 11.1757 7.67459 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 7.82186 12.7301 6.14769 13.3182 6.52836 8.8894 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 5.85006 8.40361 6.14769 9.08232 6.52836 8.8894 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.56199 5.23632 5.1524 9.3813 4.95238 4.56886 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.87656 4.57152 9.17101 13.681 12.2127 9.27341 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 5.35463 10.0143 9.17101 16.0867 12.2127 9.27341 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 4.97597 9.22406 9.79225 17.5192 16.7408 9.56869 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.84716 3.82682 8.11956 8.79089 11.4066 9.60838 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.88987 4.84679 8.11956 10.4072 11.4066 9.60838 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.99252 9.45543 5.90008 13.4861 8.82579 5.83093 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.86708 11.8119 6.93215 14.9478 7.54885 8.50367 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 8.86708 11.8119 6.93215 18.8143 10.4785 8.94889 numMergedOcc 0
22 mol 210 unq 2 iso 0 dist 5.86875 12.1997 6.93215 11.9506 7.54885 8.50367 numMergedOcc 0
23 mol 210 unq 3 iso 0 dist 5.86875 12.1997 6.93215 13.3628 10.4785 8.94889 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 6.40555 6.7559 8.46413 8.99501 6.01197 6.50985 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 8.99274 11.0725 7.8339 14.1278 8.72592 8.13605 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 8.62247 10.3074 7.8339 16.0762 8.72592 8.13605 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.42131 9.99305 9.05171 5.71012 5.02504 8.96253 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 7.01147 9.99305 5.46946 5.71012 4.34203 8.96253 numMergedOcc 0
29 mol 261 unq 2 iso 0 dist 9.53489 9.99305 8.24264 5.71012 6.7438 8.96253 numMergedOcc 0
30 mol 261 unq 3 iso 0 dist 9.53489 17.7278 9.66703 24.3152 14.9805 8.25759 numMergedOcc 0
31 mol 261 unq 4 iso 0 dist 6.24373 7.35811 9.05171 8.60739 5.02504 8.96253 numMergedOcc 0
32 mol 261 unq 5 iso 0 dist 8.69549 7.35811 5.46946 8.60739 4.34203 8.96253 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 6.69313 6.51788 4.1631 10.223 8.33215 6.93798 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.71214 4.06566 7.89324 12.831 10.577 9.24592 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.71214 4.06566 7.89324 12.831 10.577 9.24592 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.71214 4.06566 7.89324 12.831 10.577 9.24592 numMergedOcc 0
