0 mol 7 unq 0 iso 0 dist 8.02892 7.39982 9.68596 15.2879 14.7759 8.41585 13.4387 10.1841 9.87885 12.8323 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 10.3343 5.59311 5.54419 12.7817 4.04519 6.6219 4.82629 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.65191 12.8297 8.70827 10.3343 5.59311 5.54419 18.3878 13.7009 5.68215 10.1698 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.65191 7.93303 9.12854 10.3343 5.59311 7.36323 15.1723 9.86385 8.87744 6.28159 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.65191 7.93303 9.12854 10.3343 5.59311 7.36323 13.3713 10.4353 7.27472 5.50396 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 12.1471 5.68392 6.03987 10.6092 6.19011 7.99919 4.77954 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 14.838 6.63327 8.66265 14.3034 9.76482 9.03564 6.75591 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 16.8925 7.97897 8.87449 21.6343 15.0328 9.90751 9.72773 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.1593 12.3004 7.80975 16.8925 7.97897 8.87449 18.3594 12.48 9.21662 9.39125 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 12.1173 10.4376 6.18601 14.5277 12.3661 8.95212 4.39676 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 11.3921 6.48978 5.99315 13.1485 12.207 7.36975 13.1926 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.75595 11.2897 7.78652 11.3921 6.48978 5.99315 14.8595 10.0079 5.40637 7.39837 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.69399 12.5567 9.67741 20.4488 13.0123 9.87651 13.2247 5.43662 7.20495 7.87971 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 9.69399 12.5567 9.67741 20.4488 13.0123 9.87651 14.9124 8.91275 9.2289 12.0033 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 9.69399 12.5567 9.67741 20.4488 13.0123 9.87651 11.7438 5.95858 7.02548 11.6011 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 6.64193 4.67731 7.48463 12.0111 11.8654 8.77153 8.85178 10.5752 6.42257 4.04036 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 6.64193 4.67731 7.48463 12.0111 11.8654 8.77153 9.73123 3.86668 9.33543 13.1538 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 6.64193 4.67731 7.48463 10.6785 6.05524 8.6166 8.85178 10.5752 6.42257 9.47076 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 6.64193 4.67731 7.48463 10.6785 6.05524 8.6166 9.73123 3.86668 9.33543 5.39728 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 9.36645 8.80479 8.27212 13.7767 11.2243 6.71524 5.10213 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 6.77279 8.41846 8.13497 12.5187 4.10176 9.46361 12.2293 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 12.5187 4.10176 9.46361 11.6988 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 13.565 4.47425 5.85442 10.067 numMergedOcc 0
23 mol 259 unq 3 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 12.5187 4.10176 6.95511 11.6988 numMergedOcc 0
