0 mol 7 unq 0 iso 0 dist 6.24628 5.93318 8.23909 9.17764 13.7145 6.02702 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.78518 8.14553 6.79478 11.1883 5.15125 4.30695 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.78518 8.14553 6.79478 11.3678 10.9655 6.35398 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.53191 5.40129 5.38191 10.6943 5.33825 7.07339 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.53191 5.40129 5.38191 9.46449 6.51649 7.23317 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.92545 5.63684 6.48625 12.9938 9.97686 8.08618 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.81722 5.50724 6.89722 12.376 11.5412 9.24757 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.27446 14.8739 7.26679 14.9819 11.2253 9.24757 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.11757 11.188 4.98104 14.9552 9.52463 6.95572 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.11757 11.188 4.98104 9.97288 6.07224 7.38677 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 8.63253 8.90571 9.01767 14.9418 10.4216 8.31932 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 5.15752 8.90571 9.80678 14.9418 12.8733 8.31932 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 8.92763 15.6191 7.29462 11.8073 4.70778 9.01852 numMergedOcc 0
13 mol 108 unq 1 iso 0 dist 8.92763 15.6191 7.29462 19.4292 11.386 9.75958 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.46519 5.65802 7.78849 9.35946 4.15314 5.83771 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 8.29755 5.52034 6.5228 5.95344 5.14857 5.62052 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 8.29755 5.52034 6.5228 11.4163 5.26692 7.90563 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 7.57267 5.6926 8.81169 6.01599 4.1075 6.30021 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.60482 8.70038 7.44191 9.54437 6.70394 6.46704 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.60482 8.70038 7.44191 14.8629 11.2787 6.59025 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 9.64653 16.0709 8.64255 14.5306 4.91904 7.50013 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 9.64653 16.0709 8.64255 16.3886 7.59634 5.81233 numMergedOcc 0
22 mol 197 unq 2 iso 0 dist 9.64653 16.0709 8.64255 16.651 10.3181 6.92924 numMergedOcc 0
23 mol 197 unq 3 iso 0 dist 9.64653 16.0709 8.64255 22.7177 14.2718 7.14306 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 4.99993 5.21925 6.47339 6.73371 5.47473 6.34616 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 8.81385 6.17038 8.7347 14.1993 15.9714 9.07471 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 6.00509 6.68357 7.79865 10.2835 7.00432 6.98875 numMergedOcc 0
27 mol 231 unq 1 iso 0 dist 6.00509 7.6832 6.14348 10.2835 7.00432 6.54852 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.35728 5.28657 5.00515 5.74541 6.63685 6.30154 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 6.35728 5.28657 5.00515 12.0552 10.6768 7.32499 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 5.47932 14.5622 9.71281 9.75061 6.18998 6.36341 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 8.05967 12.5964 7.29898 16.3047 10.4369 5.48118 numMergedOcc 0
32 mol 249 unq 1 iso 0 dist 9.62613 12.5964 8.91685 16.3047 13.4788 5.48118 numMergedOcc 0
33 mol 249 unq 2 iso 0 dist 8.75137 4.24754 7.29898 9.49843 10.4369 5.48118 numMergedOcc 0
34 mol 249 unq 3 iso 0 dist 7.82699 4.24754 8.91685 9.49843 13.4788 5.48118 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 8.24507 12.0564 8.90885 13.0347 5.06747 8.83865 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 8.24507 14.7847 9.96963 13.0347 5.06747 9.18157 numMergedOcc 0
