0 mol 7 unq 0 iso 0 dist 6.24628 5.93318 8.23909 10.8066 13.823 9.60499 9.17764 13.7145 6.02702 8.43473 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.92545 5.63684 6.48625 12.6493 6.34264 7.17396 12.9938 9.97686 8.08618 6.90592 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.92545 5.63684 6.48625 13.6886 5.30842 9.21998 12.9938 9.97686 8.08618 7.6021 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.81722 5.50724 6.89722 14.6253 10.4716 9.96396 12.376 11.5412 9.24757 5.11416 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.81722 5.50724 6.89722 10.4812 5.2774 6.19304 12.376 11.5412 9.24757 6.56633 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.81722 5.50724 6.89722 11.5323 13.9156 8.70481 12.376 11.5412 9.24757 15.3808 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.27446 14.8739 7.26679 10.0143 8.31041 9.96396 14.9819 11.2253 9.24757 5.11416 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.27446 14.8739 7.26679 11.3406 5.44275 6.19304 14.9819 11.2253 9.24757 6.56633 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.27446 14.8739 7.26679 16.3874 11.2674 8.70481 14.9819 11.2253 9.24757 15.3808 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.11757 11.188 4.98104 18.3164 10.7572 7.4729 14.9552 9.52463 6.95572 9.50382 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.11757 11.188 4.98104 18.3164 10.7572 7.4729 9.97288 6.07224 7.38677 12.7565 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 8.11757 11.188 4.98104 12.9901 5.50764 6.82344 14.9552 9.52463 6.95572 7.56363 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 8.11757 11.188 4.98104 12.9901 5.50764 6.82344 9.97288 6.07224 7.38677 5.91004 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 8.63253 8.90571 9.01767 8.84131 6.42572 7.36792 14.9418 10.4216 8.31932 7.42011 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 5.15752 8.90571 9.80678 8.84131 5.54551 7.36792 14.9418 12.8733 8.31932 7.42011 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.46519 5.65802 7.78849 14.2731 11.454 9.89303 9.35946 4.15314 5.83771 7.41674 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.60482 8.70038 7.44191 13.6244 9.60754 8.03334 9.54437 6.70394 6.46704 4.43096 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.60482 8.70038 7.44191 13.6244 9.60754 8.03334 14.8629 11.2787 6.59025 8.04639 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 9.64653 16.0709 8.64255 20.1285 11.8861 8.56633 14.5306 4.91904 7.50013 8.46623 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 9.64653 16.0709 8.64255 20.1285 11.8861 8.56633 16.3886 7.59634 5.81233 10.7305 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 9.64653 16.0709 8.64255 20.1285 11.8861 8.56633 16.651 10.3181 6.92924 5.41996 numMergedOcc 0
21 mol 197 unq 3 iso 0 dist 9.64653 16.0709 8.64255 20.1285 11.8861 8.56633 22.7177 14.2718 7.14306 6.64537 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.81385 6.17038 8.7347 10.9296 8.81265 6.00706 14.1993 15.9714 9.07471 7.75466 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 8.81385 6.17038 8.7347 7.88846 4.28891 7.54212 14.1993 15.9714 9.07471 13.3447 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.00509 6.68357 7.79865 6.02527 5.3251 7.37839 10.2835 7.00432 6.98875 6.37275 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 6.00509 7.6832 6.14348 6.02527 5.3251 8.40182 10.2835 7.00432 6.54852 6.37275 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.35728 5.28657 5.00515 10.4208 5.16023 8.41436 5.74541 6.63685 6.30154 7.44558 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 6.35728 5.28657 5.00515 10.4208 5.16023 8.41436 12.0552 10.6768 7.32499 10.7902 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 6.35728 5.28657 5.00515 13.7219 10.2063 8.92474 5.74541 6.63685 6.30154 10.9712 numMergedOcc 0
29 mol 234 unq 3 iso 0 dist 6.35728 5.28657 5.00515 13.7219 10.2063 8.92474 12.0552 10.6768 7.32499 4.4288 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 8.05967 12.5964 7.29898 13.7787 6.6173 7.57994 16.3047 10.4369 5.48118 10.7772 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 8.05967 12.5964 7.29898 16.4913 8.95486 6.18582 16.3047 10.4369 5.48118 7.04666 numMergedOcc 0
32 mol 249 unq 2 iso 0 dist 9.62613 12.5964 8.91685 13.7787 5.25611 7.57994 16.3047 13.4788 5.48118 10.7772 numMergedOcc 0
33 mol 249 unq 3 iso 0 dist 9.62613 12.5964 8.91685 16.4913 9.66184 6.18582 16.3047 13.4788 5.48118 7.04666 numMergedOcc 0
34 mol 249 unq 4 iso 0 dist 8.75137 4.24754 7.29898 7.79723 6.6173 7.57994 9.49843 10.4369 5.48118 10.7772 numMergedOcc 0
35 mol 249 unq 5 iso 0 dist 8.75137 4.24754 7.29898 8.14526 8.95486 6.18582 9.49843 10.4369 5.48118 7.04666 numMergedOcc 0
36 mol 249 unq 6 iso 0 dist 7.82699 4.24754 8.91685 7.79723 5.25611 7.57994 9.49843 13.4788 5.48118 10.7772 numMergedOcc 0
37 mol 249 unq 7 iso 0 dist 7.82699 4.24754 8.91685 8.14526 9.66184 6.18582 9.49843 13.4788 5.48118 7.04666 numMergedOcc 0
