0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 14.6665 7.10621 11.2706 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 3.69663 4.92734 8.25051 8.96553 7.35767 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 11.375 6.4754 8.25051 9.62879 7.06064 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 9.91301 3.69663 6.57999 8.25051 9.62879 7.35767 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.87018 5.41936 6.89209 5.45641 6.38364 5.49061 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 10.4744 8.86116 16.6906 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.11056 8.95357 8.20058 6.9756 8.38394 14.9411 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.88413 5.30126 6.22122 5.59268 7.17969 4.96681 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.88695 4.54484 7.51406 5.3315 8.34347 6.4487 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 7.10899 8.62215 5.2422 10.8741 9.24927 5.74753 numMergedOcc 0
10 mol 41 unq 0 iso 0 dist 5.41493 6.19414 8.52313 5.09229 6.19529 8.25852 numMergedOcc 0
11 mol 51 unq 0 iso 0 dist 7.12423 12.224 9.23497 13.6102 9.0709 6.03084 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 7.20538 8.39913 8.96238 6.93876 8.66265 7.43826 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.2377 6.46551 6.10011 4.99283 5.93252 8.3449 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.18305 12.2435 8.124 4.69583 6.19304 13.4367 numMergedOcc 0
15 mol 86 unq 0 iso 0 dist 8.88225 11.0165 8.40609 8.73453 9.5497 9.54732 numMergedOcc 0
16 mol 86 unq 1 iso 0 dist 9.49308 6.06198 8.40609 10.7693 9.5497 9.54732 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 4.75138 5.08437 12.0507 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.9747 11.1108 8.05602 10.4417 6.48948 4.72129 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.9747 11.1108 8.05602 11.3628 6.10456 12.0339 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 4.50572 9.17639 8.05602 6.88489 5.08437 12.0507 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 4.50572 9.17639 8.05602 9.63267 6.48948 4.72129 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 4.50572 9.17639 8.05602 9.82583 6.10456 12.0339 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.3164 7.12319 8.84523 11.5656 8.69985 14.7654 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 4.36935 5.86073 7.41343 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 5.63005 11.5865 8.62648 10.5268 8.73993 4.6251 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 6.38163 8.56696 6.23966 8.61575 9.61051 5.16275 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 6.38163 8.56696 6.23966 10.0961 5.83384 6.65856 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 7.81337 10.4143 8.99949 11.4498 6.85062 11.3502 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.60411 13.5049 7.27598 10.5108 6.37586 6.50005 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 9.60411 13.5049 7.27598 6.20443 9.71307 12.0971 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 9.55777 14.056 5.47561 6.54251 8.01589 10.6375 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 9.55777 14.056 5.47561 15.3892 7.7699 5.39098 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 9.55777 14.056 5.47561 16.4881 7.21333 5.60111 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 8.39002 4.61429 9.73411 9.98893 8.95269 14.1073 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 8.39002 4.61429 9.73411 5.72088 6.57273 9.81806 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 8.39002 4.61429 9.73411 6.51315 5.78342 5.99647 numMergedOcc 0
37 mol 224 unq 3 iso 0 dist 8.39002 11.1139 7.07564 9.98893 8.95269 11.8217 numMergedOcc 0
38 mol 224 unq 4 iso 0 dist 8.39002 11.1139 7.07564 5.72088 6.57273 10.8463 numMergedOcc 0
39 mol 224 unq 5 iso 0 dist 8.39002 11.1139 7.07564 6.51315 5.78342 5.44863 numMergedOcc 0
40 mol 224 unq 6 iso 0 dist 9.2053 4.61429 7.75485 6.51315 5.81334 5.99647 numMergedOcc 0
41 mol 224 unq 7 iso 0 dist 9.2053 11.1139 9.11052 6.51315 5.81334 5.44863 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.13537 6.21166 6.06422 10.3859 6.57393 5.33697 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 9.66555 5.12308 4.87108 12.2428 6.22714 7.45873 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 9.66555 9.76041 6.54455 12.2428 6.22714 5.17954 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 8.67205 4.29839 4.87108 8.66185 6.22714 7.45873 numMergedOcc 0
46 mol 238 unq 4 iso 0 dist 8.67205 5.68906 6.54455 8.66185 6.22714 5.17954 numMergedOcc 0
47 mol 239 unq 0 iso 0 dist 6.44212 10.5291 8.61729 7.97883 6.16342 7.02319 numMergedOcc 0
48 mol 253 unq 0 iso 0 dist 8.91612 9.02763 8.68368 5.11865 6.73034 8.25257 numMergedOcc 0
49 mol 256 unq 0 iso 0 dist 7.67598 4.19031 5.98967 8.99993 8.29103 6.64029 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 5.73834 5.59455 8.9706 6.48867 6.60405 5.70285 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 5.73834 5.59455 8.9706 7.52881 6.42289 6.50871 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 9.12507 8.46264 8.57619 5.59901 5.30224 5.43184 numMergedOcc 0
53 mol 265 unq 0 iso 0 dist 9.772 10.5191 5.3051 5.75478 8.4218 11.4819 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 7.98617 5.17156 5.18789 10.2761 8.15665 5.57044 numMergedOcc 0
