0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 14.6665 7.10621 11.2706 15.8072 8.72114 10.7937 13.8829 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 3.69663 4.92734 8.25051 8.96553 7.35767 10.4489 8.53529 7.97177 4.36226 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 11.375 6.4754 8.25051 9.62879 7.06064 10.4489 7.18019 5.3298 4.36226 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 9.91301 3.69663 6.57999 8.25051 9.62879 7.35767 10.4489 7.18019 7.97177 4.36226 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 10.4744 8.86116 16.6906 11.095 8.60554 13.4836 8.52463 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.11056 8.95357 8.20058 10.4744 8.86116 16.6906 4.04757 8.44664 11.9824 10.971 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.11056 8.95357 8.20058 10.4744 8.86116 16.6906 6.66757 9.44691 9.04355 13.4893 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.11056 8.95357 8.20058 6.9756 8.38394 14.9411 11.095 8.60554 13.4836 12.3994 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.11056 8.95357 8.20058 6.9756 8.38394 14.9411 4.04757 8.44664 11.9824 5.30734 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.11056 8.95357 8.20058 6.9756 8.38394 14.9411 6.66757 9.44691 9.04355 12.505 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.88413 5.30126 6.22122 5.59268 7.17969 4.96681 10.7087 7.55264 6.63966 6.08585 numMergedOcc 0
11 mol 41 unq 0 iso 0 dist 5.41493 6.19414 8.52313 5.09229 6.19529 8.25852 4.08339 8.51663 8.06801 8.94326 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 7.20538 8.39913 8.96238 6.93876 8.66265 7.43826 3.63144 7.16773 4.936 6.63327 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 4.75138 5.08437 12.0507 7.43001 6.65501 11.0132 4.4057 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.9747 11.1108 8.05602 10.4417 6.48948 4.72129 7.43001 6.65501 11.0132 7.42446 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.9747 11.1108 8.05602 11.3628 6.10456 12.0339 7.43001 6.65501 11.0132 9.67482 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 4.50572 9.17639 8.05602 6.88489 5.08437 12.0507 9.5305 6.65501 11.0132 4.4057 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 4.50572 9.17639 8.05602 9.63267 6.48948 4.72129 9.5305 6.65501 11.0132 7.42446 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 4.50572 9.17639 8.05602 9.82583 6.10456 12.0339 9.5305 6.65501 11.0132 9.67482 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.3164 7.12319 8.84523 11.5656 8.69985 14.7654 4.81814 7.80523 10.8869 7.74599 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 4.36935 5.86073 7.41343 11.2266 8.8822 10.3234 10.1816 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 8.89481 4.57112 9.08014 4.36935 5.86073 7.41343 9.01097 9.66219 9.4626 8.42718 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 5.63005 11.5865 8.62648 10.5268 8.73993 4.6251 4.01593 6.52773 9.25614 7.20179 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 5.63005 11.5865 8.62648 10.5268 8.73993 4.6251 13.1254 9.23858 5.53673 9.89358 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 6.38163 8.56696 6.23966 8.61575 9.61051 5.16275 7.03404 6.28565 6.47522 6.30169 numMergedOcc 0
25 mol 129 unq 1 iso 0 dist 6.38163 8.56696 6.23966 8.61575 9.61051 5.16275 4.92611 7.58957 5.85167 5.68211 numMergedOcc 0
26 mol 129 unq 2 iso 0 dist 6.38163 8.56696 6.23966 10.0961 5.83384 6.65856 7.03404 6.28565 6.47522 4.55551 numMergedOcc 0
27 mol 129 unq 3 iso 0 dist 6.38163 8.56696 6.23966 10.0961 5.83384 6.65856 4.92611 7.58957 5.85167 10.5488 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 7.81337 10.4143 8.99949 11.4498 6.85062 11.3502 4.34786 8.70296 10.5805 14.2045 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 7.81337 10.4143 8.99949 11.4498 6.85062 11.3502 11.6607 9.25558 8.98062 5.09131 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 9.55777 14.056 5.47561 6.54251 8.01589 10.6375 12.979 7.67576 10.3328 10.3151 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 9.55777 14.056 5.47561 6.54251 8.01589 10.6375 4.05539 9.82371 15.0445 8.52017 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 9.55777 14.056 5.47561 15.3892 7.7699 5.39098 12.979 7.67576 10.3328 7.81022 numMergedOcc 0
33 mol 222 unq 3 iso 0 dist 9.55777 14.056 5.47561 15.3892 7.7699 5.39098 4.05539 9.82371 15.0445 15.7504 numMergedOcc 0
34 mol 222 unq 4 iso 0 dist 9.55777 14.056 5.47561 16.4881 7.21333 5.60111 12.979 7.67576 10.3328 7.75656 numMergedOcc 0
35 mol 222 unq 5 iso 0 dist 9.55777 14.056 5.47561 16.4881 7.21333 5.60111 4.05539 9.82371 15.0445 16.0949 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.44212 10.5291 8.61729 7.97883 6.16342 7.02319 8.28901 8.84636 5.66996 4.30299 numMergedOcc 0
