0 mol 7 unq 0 iso 0 dist 7.21217 5.07985 6.1206 13.2513 13.2247 9.87885 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.45487 9.29802 9.01112 13.9525 10.9495 6.56356 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.45487 9.29802 9.01112 11.9557 6.23795 7.62333 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.84479 6.04677 8.43054 9.18436 6.92781 6.57331 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.84983 5.04521 9.22598 9.56737 4.81926 8.96727 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.56737 5.04521 8.96727 7.84983 4.81926 9.22598 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 5.83937 12.0661 7.57295 11.1212 5.67502 8.4312 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 5.83937 12.0661 7.57295 10.9217 6.54743 7.48086 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.82095 7.32774 7.57295 10.5768 5.67502 8.4312 numMergedOcc 0
9 mol 60 unq 3 iso 0 dist 8.82095 7.32774 7.57295 6.27749 6.54743 7.48086 numMergedOcc 0
10 mol 60 unq 4 iso 0 dist 6.27749 7.32774 7.48086 8.82095 6.54743 7.57295 numMergedOcc 0
11 mol 60 unq 5 iso 0 dist 6.27749 7.32774 7.48086 10.5768 5.00018 8.4312 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 9.57969 10.2162 6.9362 13.9493 8.99811 5.99857 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 9.58625 3.30729 8.40422 11.0871 5.52198 8.40425 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 9.58625 3.30729 8.40422 10.458 9.1532 7.47974 numMergedOcc 0
15 mol 89 unq 2 iso 0 dist 9.58625 3.30729 8.40422 6.36021 6.50464 5.51831 numMergedOcc 0
16 mol 89 unq 3 iso 0 dist 9.58625 3.30729 8.40422 11.4742 6.54355 9.65149 numMergedOcc 0
17 mol 89 unq 4 iso 0 dist 6.36021 3.30729 5.51831 9.58625 6.50464 8.40422 numMergedOcc 0
18 mol 89 unq 5 iso 0 dist 6.36021 3.30729 5.51831 11.0871 8.46794 8.40425 numMergedOcc 0
19 mol 89 unq 6 iso 0 dist 6.36021 3.30729 5.51831 10.458 10.4087 7.47974 numMergedOcc 0
20 mol 89 unq 7 iso 0 dist 6.36021 3.30729 5.51831 11.4742 5.45013 9.65149 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.21889 14.5244 7.86666 22.3783 17.2949 9.77497 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 6.31633 6.54844 9.77497 14.2617 17.2949 7.86666 numMergedOcc 0
23 mol 109 unq 2 iso 0 dist 7.21115 7.53568 9.89083 10.3063 7.15843 8.52024 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.49205 8.22696 8.95212 12.6552 10.9871 6.99446 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 6.49205 8.22696 8.95212 10.0583 9.93257 7.64052 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 9.42766 16.57 7.64052 15.6032 9.93257 8.95212 numMergedOcc 0
27 mol 119 unq 3 iso 0 dist 9.42766 16.57 7.64052 13.6653 4.85907 6.99446 numMergedOcc 0
28 mol 142 unq 0 iso 0 dist 7.57458 9.23267 7.81207 10.5524 5.32922 6.14151 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.89982 9.0696 6.59889 14.5119 7.65448 6.70693 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 6.43406 5.71744 5.05973 11.5992 11.5866 9.01624 numMergedOcc 0
31 mol 207 unq 0 iso 0 dist 8.09522 5.15938 9.98372 5.08312 5.99308 6.0563 numMergedOcc 0
32 mol 207 unq 1 iso 0 dist 8.09522 7.6274 9.1528 5.08312 5.99308 8.1244 numMergedOcc 0
33 mol 207 unq 2 iso 0 dist 5.08312 5.15938 6.0563 8.09522 5.99308 9.98372 numMergedOcc 0
34 mol 207 unq 3 iso 0 dist 5.08312 7.6274 8.1244 8.09522 5.99308 9.1528 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 9.75313 3.56689 8.08349 11.1179 10.3613 9.78218 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.08709 11.4272 8.08349 15.5817 10.3613 9.78218 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 9.79616 12.65 8.79428 14.828 6.77699 6.99769 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 9.79616 12.65 8.79428 10.0081 8.49799 6.8692 numMergedOcc 0
39 mol 224 unq 4 iso 0 dist 9.29703 9.56183 6.8692 13.5897 11.328 6.99769 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 9.29703 9.56183 6.8692 11.1052 8.49799 8.79428 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 7.2346 5.39025 5.1823 10.5214 7.218 8.19317 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 7.2346 4.3433 5.70635 10.5214 7.218 6.29377 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 5.24313 12.4194 9.12776 16.0821 15.7907 9.72188 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.31417 13.338 9.72188 21.1413 15.7907 9.12776 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 5.56719 12.046 9.72188 19.8325 15.7907 9.12776 numMergedOcc 0
46 mol 257 unq 0 iso 0 dist 8.69184 6.70515 6.34915 8.18901 5.74182 7.81897 numMergedOcc 0
47 mol 257 unq 1 iso 0 dist 8.18901 6.70515 7.81897 8.69184 5.74182 6.34915 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 6.77279 9.90573 9.07743 9.58006 4.69778 7.66153 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 9.58006 9.90573 7.66153 6.77279 4.69778 9.07743 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 7.93997 7.06301 5.85442 9.52383 9.98105 6.9899 numMergedOcc 0
51 mol 259 unq 3 iso 0 dist 7.93997 7.80863 6.95511 13.8509 6.96053 9.46361 numMergedOcc 0
52 mol 264 unq 0 iso 0 dist 7.22789 8.41904 5.90058 11.8372 7.07277 5.90924 numMergedOcc 0
53 mol 264 unq 1 iso 0 dist 7.22789 8.41904 5.90058 17.6506 14.3597 9.58916 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.02914 13.3706 5.46926 10.9325 7.69449 9.57499 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 9.02914 13.3706 5.46926 6.90434 7.08227 8.9682 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 9.02914 12.1739 5.13913 6.90434 7.08227 6.92711 numMergedOcc 0
57 mol 277 unq 3 iso 0 dist 6.90434 13.3706 8.9682 10.9325 11.8268 9.57499 numMergedOcc 0
58 mol 277 unq 4 iso 0 dist 6.90434 13.3706 8.9682 9.02914 7.08227 5.46926 numMergedOcc 0
59 mol 277 unq 5 iso 0 dist 6.90434 12.1739 6.92711 9.02914 7.08227 5.13913 numMergedOcc 0
60 mol 277 unq 6 iso 0 dist 9.98528 19.5312 9.57499 16.8282 7.69449 5.46926 numMergedOcc 0
61 mol 277 unq 7 iso 0 dist 9.98528 19.5312 9.57499 19.4967 11.8268 8.9682 numMergedOcc 0
62 mol 280 unq 0 iso 0 dist 8.85762 7.42656 6.86234 11.1402 5.51836 6.02353 numMergedOcc 0
63 mol 284 unq 0 iso 0 dist 8.42412 6.34668 6.41303 11.8622 5.10183 9.19921 numMergedOcc 0
