0 mol 7 unq 0 iso 0 dist 8.23909 13.823 9.60499 13.7145 6.02702 8.43473 23.0437 15.9584 13.2603 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.72215 5.38502 9.60499 6.11915 6.02702 8.43473 13.4231 15.9584 13.2603 9.97624 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 6.4154 7.41074 8.70133 7.10439 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 6.4154 7.41074 4.65521 7.10439 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 6.4154 7.41074 15.9587 7.10439 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 9.51458 7.41074 8.70133 7.10439 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 9.51458 7.41074 4.65521 7.10439 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 9.51458 7.41074 15.9587 7.10439 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 9.52463 6.95572 9.50382 13.785 9.32974 10.6071 6.72712 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 9.52463 6.95572 9.50382 11.3299 6.99832 5.81965 5.39745 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 4.98104 5.50764 6.82344 9.52463 6.95572 7.56363 13.785 9.32974 13.3102 6.72712 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 4.98104 5.50764 6.82344 9.52463 6.95572 7.56363 11.3299 6.99832 9.70512 5.39745 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 12.5697 6.84011 7.436 13.4874 5.31367 12.383 8.809 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 8.42445 7.18757 7.5732 12.5697 6.84011 7.436 16.3195 8.88748 11.5084 5.79343 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 4.43093 6.30546 6.0268 11.7153 7.01257 7.75534 7.36017 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 10.6766 7.90484 14.3377 9.2235 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 13.552 7.90484 14.3377 9.2235 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 11.2787 6.59025 8.04639 14.3261 7.07409 10.7636 6.32777 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 6.00053 11.1879 8.03334 5.87168 6.59025 8.04639 9.34615 7.07409 10.7636 6.32777 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 5.75236 5.41321 10.7656 8.34104 6.43754 12.4085 7.57454 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 8.34104 6.43754 8.17891 7.57454 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 8.34104 6.43754 6.95902 7.57454 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 5.75236 5.41321 5.10635 8.34104 6.43754 11.004 7.57454 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 8.34104 6.43754 12.8864 7.57454 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 10.6768 7.32499 10.7902 10.435 5.9221 13.651 7.43663 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 5.00515 5.16023 8.41436 10.6768 7.32499 10.7902 17.6523 13.2297 18.6592 7.94068 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 5.00515 10.2063 8.92474 10.6768 7.32499 4.4288 10.435 5.9221 10.521 7.43663 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 5.00515 10.2063 8.92474 10.6768 7.32499 4.4288 17.6523 13.2297 11.4702 7.94068 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 16.7165 9.24557 14.7883 14.0108 11.0401 14.1514 8.90076 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.31417 6.62361 5.72887 16.7165 9.24557 14.7883 14.6283 8.85181 13.9989 6.87131 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 9.31417 6.62361 5.72887 16.7165 9.24557 14.7883 15.4111 11.9142 16.5748 8.09718 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 5.56719 5.96552 5.72887 11.9863 9.24557 14.7883 9.75691 11.0401 14.1514 8.90076 numMergedOcc 0
32 mol 238 unq 4 iso 0 dist 5.56719 5.96552 5.72887 11.9863 9.24557 14.7883 11.0241 8.85181 13.9989 6.87131 numMergedOcc 0
33 mol 238 unq 5 iso 0 dist 5.56719 5.96552 5.72887 11.9863 9.24557 14.7883 11.8665 11.9142 16.5748 8.09718 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 9.27954 5.79468 7.48005 8.71497 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 6.28052 5.93616 7.52936 9.67417 5.12409 9.0012 5.91213 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 6.75305 10.0289 6.24356 6.28052 5.93616 7.52936 13.3898 9.67998 9.5784 7.34094 numMergedOcc 0
