0 mol 30 unq 0 iso 0 dist 7.15015 6.60844 8.83766 3.68549 5.5577 7.27268 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 3.68549 6.60844 7.27268 7.15015 5.5577 8.83766 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 6.66818 8.92291 8.90024 5.06502 6.79185 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 6.66818 8.92291 6.78532 5.89973 8.37962 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.06275 10.8481 6.79185 12.0618 5.06502 8.92291 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.06275 10.8481 6.79185 14.4184 6.45462 8.37962 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 8.90024 6.66818 6.79185 6.84521 5.06502 8.92291 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 8.90024 6.66818 6.79185 6.78532 6.45462 8.37962 numMergedOcc 0
8 mol 43 unq 6 iso 0 dist 6.78532 6.66818 8.37962 6.84521 5.89973 8.92291 numMergedOcc 0
9 mol 43 unq 7 iso 0 dist 6.78532 6.66818 8.37962 8.90024 6.45462 6.79185 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.9795 9.37751 9.30021 11.5591 6.9948 5.62635 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 5.63037 4.39312 7.73058 11.0739 12.6999 6.81209 numMergedOcc 0
12 mol 86 unq 1 iso 0 dist 5.63037 4.39312 7.73058 11.0887 9.22735 8.54122 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.96446 14.0484 7.48658 13.1422 9.35561 7.20279 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.61812 9.18537 4.5985 14.7281 10.8586 8.20656 numMergedOcc 0
15 mol 110 unq 0 iso 0 dist 8.64633 7.45267 9.11812 9.9633 5.00116 6.78225 numMergedOcc 0
16 mol 110 unq 1 iso 0 dist 8.64633 7.45267 9.11812 12.1631 8.3284 6.2967 numMergedOcc 0
17 mol 110 unq 2 iso 0 dist 9.9633 7.45267 6.78225 8.64633 5.00116 9.11812 numMergedOcc 0
18 mol 110 unq 3 iso 0 dist 9.9633 7.45267 6.78225 12.1631 4.56913 6.2967 numMergedOcc 0
19 mol 110 unq 4 iso 0 dist 7.77678 10.5289 6.2967 15.4608 8.3284 9.11812 numMergedOcc 0
20 mol 110 unq 5 iso 0 dist 7.77678 10.5289 6.2967 10.6355 4.56913 6.78225 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.66715 12.9222 9.64695 9.00172 8.18495 4.51266 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.00172 12.9222 4.51266 8.66715 8.18495 9.64695 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 8.95433 12.5445 9.64695 13.7786 8.18495 4.51266 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 9.73691 13.8211 8.96646 11.9596 5.45334 8.29133 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 8.14464 7.27468 9.20561 15.1646 16.718 8.25629 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 8.14464 7.27468 9.20561 11.4745 15.3446 9.31373 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 8.14464 7.27468 9.20561 9.93754 16.5576 9.88976 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 9.93754 7.27468 9.88976 15.1646 12.5593 8.25629 numMergedOcc 0
29 mol 225 unq 4 iso 0 dist 9.93754 7.27468 9.88976 11.4745 13.3965 9.31373 numMergedOcc 0
30 mol 225 unq 5 iso 0 dist 9.93754 7.27468 9.88976 8.14464 16.5576 9.20561 numMergedOcc 0
31 mol 229 unq 0 iso 0 dist 6.88694 10.7974 7.38552 13.9972 7.9315 7.77578 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.13226 14.8539 6.32856 12.6182 9.15171 8.11169 numMergedOcc 0
