0 mol 30 unq 0 iso 0 dist 5.64067 12.9268 7.96082 9.61787 5.29515 9.32305 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.12212 8.93137 8.27298 16.8169 12.3968 9.81466 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.12212 7.98431 8.56111 13.1851 10.2533 7.38082 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.46302 15.4221 8.76527 13.3526 5.53213 9.67023 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.67545 9.13065 9.0907 15.1507 10.0193 7.86678 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 15.6303 10.565 7.53504 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.53468 14.5223 8.0534 14.9113 10.0209 8.66342 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.53468 14.5223 8.0534 11.1323 6.28525 7.21285 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.53468 14.5223 8.0534 9.78545 5.32605 6.95094 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.78859 9.08204 9.01452 5.68726 3.69759 7.23435 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 5.90954 11.7502 8.0534 16.0495 10.565 7.53504 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 5.90954 11.7502 8.0534 14.4349 10.0209 8.66342 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 5.90954 11.7502 8.0534 11.6465 6.28525 7.21285 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 5.90954 11.7502 8.0534 9.97998 5.32605 6.95094 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 8.71941 4.21804 9.39011 10.7061 6.94693 9.29934 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.0733 7.55155 6.39075 9.63488 5.45144 6.89564 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.69054 13.9794 9.85967 19.9556 13.6418 9.59797 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 8.84125 8.72592 6.86657 7.38821 4.76844 9.82833 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.23616 7.60712 6.86657 10.6152 4.76844 9.82833 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 6.70176 10.0143 9.58197 14.7899 9.42893 9.64455 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 6.70176 5.96471 9.90943 9.34989 4.61443 9.86599 numMergedOcc 0
21 mol 214 unq 2 iso 0 dist 4.94811 6.438 9.58197 11.2118 9.42893 9.64455 numMergedOcc 0
22 mol 214 unq 3 iso 0 dist 4.94811 9.57515 9.90943 9.08095 4.61443 9.86599 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 5.72444 6.7488 9.27651 6.2441 5.18278 5.98076 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.53138 10.028 9.61475 14.184 9.38497 7.0166 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 7.53138 10.028 9.61475 13.8528 12.2857 8.75468 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 7.53138 6.35487 9.68034 13.8528 12.2857 8.60479 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 7.53138 4.44048 8.1579 10.1264 5.96592 7.96032 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 9.08038 6.68895 9.74049 12.0914 7.13962 8.84041 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.63662 5.30286 8.9766 9.40939 12.8903 7.24089 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 13 15.0876 7.88102 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 5.63154 8.29352 7.84195 11.6585 13.7974 7.93694 numMergedOcc 0
