0 mol 20 unq 0 iso 0 dist 9.4228 4.95725 6.29237 5.84217 9.24286 3.49913 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.4228 5.84217 9.24286 4.95725 6.29237 3.49913 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.07553 5.11636 8.21811 4.79736 7.73513 8.32593 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.07553 4.79736 7.73513 5.11636 8.21811 8.32593 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.80127 5.50396 8.70016 13.6174 5.13078 13.4516 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.80127 13.6174 5.13078 5.50396 8.70016 13.4516 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.48457 14.4081 8.70016 5.11636 5.13078 13.4516 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 6.48457 5.11636 5.13078 14.4081 8.70016 13.4516 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 9.27081 11.2681 9.99577 9.83759 8.40203 16.3119 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 9.27081 9.83759 8.40203 11.2681 9.99577 16.3119 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 7.02709 10.1994 6.71858 12.9752 9.37159 7.4799 numMergedOcc 0
11 mol 107 unq 0 iso 1 dist 7.02709 12.9752 9.37159 10.1994 6.71858 7.4799 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.82487 8.1057 6.41507 8.01602 6.03035 5.05513 numMergedOcc 0
13 mol 113 unq 0 iso 1 dist 5.82487 8.01602 6.03035 8.1057 6.41507 5.05513 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.53821 5.93762 8.41697 6.55301 9.2016 10.0033 numMergedOcc 0
15 mol 158 unq 0 iso 1 dist 9.53821 6.55301 9.2016 5.93762 8.41697 10.0033 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 7.68645 11.3569 6.44817 9.13819 9.36547 14.0465 numMergedOcc 0
17 mol 219 unq 0 iso 1 dist 7.68645 9.13819 9.36547 11.3569 6.44817 14.0465 numMergedOcc 0
18 mol 219 unq 1 iso 0 dist 5.75017 4.78402 6.44817 11.6561 9.36547 14.0465 numMergedOcc 0
19 mol 219 unq 1 iso 1 dist 5.75017 11.6561 9.36547 4.78402 6.44817 14.0465 numMergedOcc 0
20 mol 219 unq 2 iso 0 dist 6.12768 8.8527 6.44817 11.1178 9.36547 14.0465 numMergedOcc 0
21 mol 219 unq 2 iso 1 dist 6.12768 11.1178 9.36547 8.8527 6.44817 14.0465 numMergedOcc 0
22 mol 219 unq 3 iso 0 dist 7.19159 11.4193 6.44817 4.72332 9.36547 14.0465 numMergedOcc 0
23 mol 219 unq 3 iso 1 dist 7.19159 4.72332 9.36547 11.4193 6.44817 14.0465 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 6.51465 6.62766 8.34954 6.03803 9.27328 6.12355 numMergedOcc 0
25 mol 229 unq 0 iso 1 dist 6.51465 6.03803 9.27328 6.62766 8.34954 6.12355 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.25636 9.63618 8.47034 9.82243 8.57491 10.548 numMergedOcc 0
27 mol 283 unq 0 iso 1 dist 8.25636 9.82243 8.57491 9.63618 8.47034 10.548 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 9.29241 14.0303 9.62446 18.685 9.99681 13.523 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 9.29241 18.685 9.99681 14.0303 9.62446 13.523 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.29241 14.0303 9.62446 18.685 9.99681 13.523 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 9.29241 18.685 9.99681 14.0303 9.62446 13.523 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 9.29241 14.0303 9.62446 18.685 9.99681 13.523 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 9.29241 18.685 9.99681 14.0303 9.62446 13.523 numMergedOcc 0
