0 mol 1 unq 0 iso 0 dist 6.06669 5.1888 5.74199 13.5153 8.69605 10.4572 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.54285 10.5494 9.26685 6.67987 9.5937 5.4483 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.54285 10.5494 9.26685 9.81441 7.34681 9.4204 numMergedOcc 0
3 mol 35 unq 0 iso 0 dist 9.94008 11.4011 9.81737 8.04323 5.28675 7.44943 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 8.40835 13.4556 9.25986 4.81503 7.65802 9.16636 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.0009 4.39847 7.8986 6.74022 8.52643 7.05519 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.0009 4.39847 7.8986 5.42653 9.75299 8.49962 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 8.91298 4.39847 7.24183 6.74022 5.41357 7.05519 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 8.91298 4.39847 7.24183 5.42653 9.30042 8.49962 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 8.70106 11.4822 7.81042 5.40051 8.078 8.96379 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 8.70106 11.4822 7.81042 14.0531 6.56481 5.73608 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 9.15982 14.0132 9.6874 11.2753 6.54778 4.84565 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.48833 13.4277 8.34427 14.3839 9.52061 7.12885 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.14447 12.8539 8.15549 9.07803 9.39389 10.8474 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 5.86949 6.33907 9.71692 12.2411 9.18753 11.8278 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 6.72591 7.50382 9.71692 6.76353 9.18753 11.8278 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 5.84971 6.43607 9.73708 12.1573 9.15244 11.6537 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 6.80192 7.48524 9.73708 6.65519 9.15244 11.6537 numMergedOcc 0
18 mol 157 unq 0 iso 0 dist 6.66184 6.754 9.668 7.20013 6.8976 11.1313 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 8.34722 6.26228 7.07348 10.6035 9.96635 10.9312 numMergedOcc 0
20 mol 160 unq 0 iso 0 dist 5.13415 4.29308 8.87648 4.95728 8.1876 4.70871 numMergedOcc 0
21 mol 165 unq 0 iso 0 dist 3.87901 9.24409 8.2197 8.4352 7.21397 10.5947 numMergedOcc 0
22 mol 165 unq 1 iso 0 dist 5.04534 6.58447 8.2197 5.73847 7.21397 10.5947 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 6.6514 10.8805 9.82329 8.3419 7.20545 9.97915 numMergedOcc 0
24 mol 189 unq 0 iso 0 dist 9.71306 6.58275 5.11059 7.19635 9.95686 4.92169 numMergedOcc 0
25 mol 189 unq 1 iso 0 dist 9.71306 6.58275 5.11059 8.18227 9.47321 8.03657 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 9.67207 8.0557 7.30965 4.64973 6.2016 5.21255 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 9.67207 8.0557 7.30965 6.57816 8.3453 5.1366 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 4.90334 6.42715 7.00683 7.84606 9.52029 8.61406 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.66083 12.5945 7.57712 6.48083 5.25149 10.1832 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 7.66083 12.5945 7.57712 6.54824 8.6368 13.4455 numMergedOcc 0
31 mol 220 unq 2 iso 0 dist 7.66083 8.9471 7.20255 6.48083 5.25149 9.96224 numMergedOcc 0
32 mol 220 unq 3 iso 0 dist 7.66083 8.9471 7.20255 6.54824 8.6368 8.70221 numMergedOcc 0
33 mol 226 unq 0 iso 0 dist 7.6174 8.00807 7.20862 5.92917 8.74399 12.3908 numMergedOcc 0
34 mol 245 unq 0 iso 0 dist 7.1207 5.75694 7.26913 9.95653 9.96585 6.25662 numMergedOcc 0
35 mol 245 unq 1 iso 0 dist 7.1207 5.75694 7.26913 5.00797 7.27022 4.38291 numMergedOcc 0
36 mol 245 unq 2 iso 0 dist 7.1207 5.75694 7.26913 7.10254 7.95061 11.8346 numMergedOcc 0
37 mol 245 unq 3 iso 0 dist 7.1207 6.87827 6.41862 9.95653 9.96585 14.6391 numMergedOcc 0
38 mol 245 unq 4 iso 0 dist 7.1207 6.87827 6.41862 5.00797 7.27022 10.1523 numMergedOcc 0
39 mol 245 unq 5 iso 0 dist 7.1207 6.87827 6.41862 7.10254 7.95061 3.53109 numMergedOcc 0
40 mol 245 unq 6 iso 0 dist 7.1207 9.93908 8.69377 9.95653 9.96585 17.4904 numMergedOcc 0
41 mol 245 unq 7 iso 0 dist 7.1207 9.93908 8.69377 5.00797 7.27022 13.6404 numMergedOcc 0
42 mol 245 unq 8 iso 0 dist 7.1207 9.93908 8.69377 7.10254 7.95061 9.71014 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.49732 17.4311 8.91916 14.4507 8.54422 6.40534 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 9.49732 17.4311 8.91916 10.4459 7.67473 9.57286 numMergedOcc 0
45 mol 259 unq 2 iso 0 dist 9.49732 12.8835 4.55368 14.4507 8.54422 6.14631 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 9.49732 12.8835 4.55368 10.4459 7.67473 6.89689 numMergedOcc 0
47 mol 276 unq 0 iso 0 dist 5.71066 9.16059 9.68846 6.62682 9.87655 4.97223 numMergedOcc 0
48 mol 276 unq 1 iso 0 dist 9.69468 8.22334 9.68846 11.3715 9.87655 4.97223 numMergedOcc 0
49 mol 282 unq 0 iso 0 dist 6.15396 5.46739 8.61456 5.668 5.00258 9.80233 numMergedOcc 0
50 mol 282 unq 1 iso 0 dist 6.15396 5.46739 8.61456 8.54733 9.98886 4.68809 numMergedOcc 0
51 mol 282 unq 2 iso 0 dist 9.18964 5.46739 8.41041 5.668 8.22117 9.80233 numMergedOcc 0
52 mol 282 unq 3 iso 0 dist 9.18964 5.46739 8.41041 8.54733 6.81887 4.68809 numMergedOcc 0
53 mol 283 unq 0 iso 0 dist 8.821 5.9309 7.53773 12.3485 9.243 6.85055 numMergedOcc 0
54 mol 283 unq 1 iso 0 dist 9.82337 14.0912 8.3815 9.33643 5.71075 4.87508 numMergedOcc 0
55 mol 283 unq 2 iso 0 dist 9.82337 10.1502 7.13925 9.33643 5.71075 7.75306 numMergedOcc 0
56 mol 283 unq 3 iso 0 dist 6.3448 11.5049 8.3815 6.76599 5.71075 4.87508 numMergedOcc 0
57 mol 283 unq 4 iso 0 dist 6.3448 5.47552 7.13925 6.76599 5.71075 7.75306 numMergedOcc 0
58 mol 293 unq 0 iso 0 dist 8.27274 11.8152 8.42712 6.26633 6.42608 8.14268 numMergedOcc 0
