0 mol 9 unq 0 iso 0 dist 7.84963 11.5622 4.75533 13.5624 7.48843 8.01055 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.84963 11.5622 4.75533 15.6834 9.95911 8.61976 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.6309 13.4978 7.83083 19.1898 15.0188 9.29504 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 8.76873 13.5119 7.83083 21.0904 15.0188 9.29504 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.58981 10.6599 7.83083 19.5034 15.0188 9.29504 numMergedOcc 0
5 mol 10 unq 3 iso 0 dist 9.23414 13.4978 6.90469 19.1898 12.4341 9.29504 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.54314 6.25029 7.85738 12.1216 12.6017 6.49343 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.46582 4.00834 5.91098 7.41861 8.58474 7.48127 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.73466 6.26966 6.11101 10.8417 7.86077 9.86325 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.06029 6.05149 6.65972 5.55798 4.13187 8.64686 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.94528 9.39588 7.69755 6.77845 4.48523 7.2118 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 8.94777 12.0034 7.69755 5.48555 4.48523 7.2118 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 9.47551 5.68174 7.69755 10.4604 4.48523 7.2118 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.33353 9.44377 8.01266 9.29249 4.51052 7.70612 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.80798 6.25432 4.821 13.8174 7.33765 8.9864 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.84813 5.0466 4.4077 6.65878 6.61102 7.6453 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.82356 8.75242 9.35049 6.9268 4.63862 5.79195 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.83476 6.45333 9.35049 8.19166 4.63862 5.79195 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 5.05414 4.65303 5.03588 5.21088 3.9335 7.36571 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 5.05414 4.65303 5.03588 12.3136 10.9472 9.80122 numMergedOcc 0
20 mol 192 unq 2 iso 0 dist 5.05414 4.65303 5.03588 8.25609 10.6087 9.17137 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.49554 5.55359 9.92651 13.5496 11.8097 9.52029 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 8.29256 4.72843 9.92651 10.6489 11.8097 9.52029 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.93485 11.2438 8.83628 14.7719 9.70513 4.81837 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.93485 11.2438 8.83628 8.47833 6.82382 6.43519 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 5.66636 7.47443 8.83628 10.6964 9.70513 4.81837 numMergedOcc 0
26 mol 205 unq 3 iso 0 dist 5.66636 7.47443 8.83628 5.47586 6.82382 6.43519 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 9.49242 13.3519 7.95917 14.1595 4.68656 8.05949 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.68612 17.6762 9.46274 22.9052 14.085 5.86911 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 9.68612 17.6762 9.46274 20.9423 12.4498 7.89258 numMergedOcc 0
30 mol 230 unq 0 iso 0 dist 6.99256 6.28086 8.01593 5.19913 3.86973 9.24729 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 8.37701 5.29911 7.24545 11.1727 7.17772 9.01071 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 8.37701 5.29911 7.24545 13.0992 13.8399 8.86185 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 9.09568 5.54706 5.83039 11.463 5.9731 9.54511 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 9.99168 5.54706 6.74364 11.463 3.69576 9.54511 numMergedOcc 0
35 mol 254 unq 2 iso 0 dist 7.84221 8.87361 5.83039 11.0596 5.9731 9.54511 numMergedOcc 0
36 mol 254 unq 3 iso 0 dist 9.67383 8.87361 6.74364 11.0596 3.69576 9.54511 numMergedOcc 0
37 mol 257 unq 0 iso 0 dist 9.82105 15.5338 8.23073 13.4138 3.67174 8.09912 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 6.61322 9.26732 5.94328 5.9223 5.05766 8.58092 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 6.61322 6.72414 7.91978 5.9223 5.05766 7.40014 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 9.35293 6.3565 6.48382 14.8446 7.63149 9.0836 numMergedOcc 0
41 mol 266 unq 1 iso 0 dist 9.35293 6.3565 6.48382 13.6478 4.39553 9.62494 numMergedOcc 0
42 mol 266 unq 2 iso 0 dist 7.93375 5.54798 6.48382 12.9059 7.63149 9.0836 numMergedOcc 0
43 mol 266 unq 3 iso 0 dist 7.93375 5.54798 6.48382 11.907 4.39553 9.62494 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 9.99134 8.01135 9.30035 11.3957 5.32967 6.69245 numMergedOcc 0
45 mol 272 unq 1 iso 0 dist 9.99134 7.26353 9.51185 11.3957 5.32967 7.90763 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 8.25703 9.65468 8.67957 12.5807 4.66969 9.34051 numMergedOcc 0
47 mol 283 unq 0 iso 0 dist 9.35302 7.83784 5.38739 13.8701 8.09099 9.28067 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 5.28731 6.37482 7.08681 13.5396 11.2722 7.872 numMergedOcc 0
49 mol 285 unq 1 iso 0 dist 5.28731 6.37482 7.08681 7.38536 3.57803 6.32984 numMergedOcc 0
50 mol 286 unq 0 iso 0 dist 8.87916 11.156 8.08382 13.3562 5.76615 6.83763 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 6.16127 5.66584 9.31611 7.3388 5.03775 6.96774 numMergedOcc 0
52 mol 287 unq 1 iso 0 dist 6.16127 5.66584 9.31611 6.96248 8.95194 7.14859 numMergedOcc 0
53 mol 287 unq 2 iso 0 dist 6.16127 5.27724 6.25845 12.2535 8.01657 8.40726 numMergedOcc 0
54 mol 287 unq 3 iso 0 dist 6.16127 5.27724 6.25845 6.19545 4.00861 5.15923 numMergedOcc 0
55 mol 288 unq 0 iso 0 dist 6.16127 5.66584 9.31611 7.3388 5.03775 6.96774 numMergedOcc 0
56 mol 288 unq 1 iso 0 dist 6.16127 5.66584 9.31611 6.96248 8.95194 7.14859 numMergedOcc 0
57 mol 288 unq 2 iso 0 dist 6.16127 5.27724 6.25845 12.2535 8.01657 8.40726 numMergedOcc 0
58 mol 288 unq 3 iso 0 dist 6.16127 5.27724 6.25845 6.19545 4.00861 5.15923 numMergedOcc 0
59 mol 289 unq 0 iso 0 dist 6.16127 5.66584 9.31611 7.3388 5.03775 6.96774 numMergedOcc 0
60 mol 289 unq 1 iso 0 dist 6.16127 5.66584 9.31611 6.96248 8.95194 7.14859 numMergedOcc 0
61 mol 289 unq 2 iso 0 dist 6.16127 5.27724 6.25845 12.2535 8.01657 8.40726 numMergedOcc 0
62 mol 289 unq 3 iso 0 dist 6.16127 5.27724 6.25845 6.19545 4.00861 5.15923 numMergedOcc 0
