0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 6.67398 9.57198 5.60154 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 11.7623 9.62394 9.03359 9.57198 5.60154 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 6.65725 8.73067 8.05213 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.78754 5.71129 6.35398 6.35394 9.09091 7.85924 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 10.1809 7.3022 11.0099 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.27369 8.18809 7.36856 10.1809 7.3022 4.74747 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 5.66743 9.49066 9.52474 11.6846 7.60283 7.50515 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 7.42669 4.91484 9.52474 8.05284 7.60283 7.50515 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 8.98505 6.30987 5.06052 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 8.85981 10.8619 7.16773 4.62903 5.84875 6.28202 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 10.3974 7.6481 13.9007 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 7.43727 7.46994 5.94559 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 12.1095 6.04903 11.7069 numMergedOcc 0
14 mol 62 unq 1 iso 0 dist 8.2746 10.9596 4.74544 12.1095 6.04903 5.49555 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 6.23138 4.96726 9.97159 6.84612 9.32552 5.3948 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 10.8544 6.72712 9.32974 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 9.18898 4.52119 6.95572 10.4617 5.39745 6.99832 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.47873 6.0129 8.70415 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 9.47873 6.0129 10.0962 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.94696 4.96747 5.65185 9.47873 6.0129 11.2452 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 5.37126 8.809 5.31367 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 8.96382 8.14567 6.84011 4.7832 5.79343 8.88748 numMergedOcc 0
23 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 4.56139 7.36017 7.01257 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.16862 12.7925 9.22232 4.49984 8.21165 12.0863 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 9.70325 15.4258 9.22232 6.16425 8.21165 12.0863 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 6.42904 6.26797 9.22661 5.80615 6.51868 4.68409 numMergedOcc 0
27 mol 133 unq 3 iso 0 dist 7.31633 5.36939 7.56378 6.2062 7.34698 4.68409 numMergedOcc 0
28 mol 135 unq 0 iso 0 dist 5.43728 8.13139 5.62052 8.84854 9.15377 4.91422 numMergedOcc 0
29 mol 135 unq 1 iso 0 dist 5.43728 5.88534 7.85645 8.84854 9.15377 6.35261 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 6.78469 6.4437 9.87644 4.06022 8.00449 4.29204 numMergedOcc 0
31 mol 141 unq 1 iso 0 dist 8.01453 5.91683 9.87644 6.47962 8.00449 4.29204 numMergedOcc 0
32 mol 146 unq 0 iso 0 dist 7.13378 8.76758 8.84535 10.9218 9.44952 14.7359 numMergedOcc 0
33 mol 146 unq 1 iso 0 dist 7.13378 6.347 8.82188 10.9218 9.44952 7.00857 numMergedOcc 0
34 mol 148 unq 0 iso 0 dist 9.80819 9.27313 6.22055 11.6995 9.73927 10.2478 numMergedOcc 0
35 mol 148 unq 1 iso 0 dist 9.80819 12.8573 8.18085 11.6995 9.73927 6.84291 numMergedOcc 0
36 mol 150 unq 0 iso 0 dist 9.81665 9.25213 6.14675 11.8035 9.66129 10.2318 numMergedOcc 0
37 mol 150 unq 1 iso 0 dist 9.81665 12.8265 7.94889 11.8035 9.66129 6.79619 numMergedOcc 0
38 mol 167 unq 0 iso 0 dist 9.14629 7.91498 9.67741 4.0737 7.80054 6.36909 numMergedOcc 0
39 mol 168 unq 0 iso 0 dist 8.90876 12.1014 7.44629 6.39941 7.60254 8.67522 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 7.58472 5.95304 8.25067 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 5.97968 9.09989 8.90963 4.24915 5.95304 8.25067 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 8.50382 12.4243 8.90963 4.20499 5.95304 8.25067 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 8.63119 4.98009 8.90963 5.70246 5.95304 8.25067 numMergedOcc 0
44 mol 181 unq 4 iso 0 dist 6.95568 4.11061 6.59025 6.28043 6.32777 7.07409 numMergedOcc 0
45 mol 181 unq 5 iso 0 dist 9.07527 9.32503 5.9176 6.24616 5.97685 9.60512 numMergedOcc 0
46 mol 181 unq 6 iso 0 dist 9.07527 9.32503 5.9176 12.5567 8.9289 13.3389 numMergedOcc 0
47 mol 188 unq 0 iso 0 dist 9.37017 4.04545 8.10214 14.7966 9.33696 12.0548 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.26887 4.39639 8.94014 11.0995 7.04753 10.8635 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.26887 6.57364 7.02333 11.0995 7.04753 5.68826 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.26887 10.9854 8.67864 11.0995 7.04753 4.87097 numMergedOcc 0
51 mol 243 unq 0 iso 0 dist 8.55613 11.7757 7.49645 10.4928 7.12785 5.70464 numMergedOcc 0
52 mol 243 unq 1 iso 0 dist 8.55613 11.7757 7.49645 4.20431 6.66959 7.83758 numMergedOcc 0
53 mol 243 unq 2 iso 0 dist 8.55613 11.9474 9.9222 10.4928 7.12785 10.3961 numMergedOcc 0
54 mol 243 unq 3 iso 0 dist 8.55613 11.9474 9.9222 4.20431 6.66959 7.8399 numMergedOcc 0
55 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 9.11005 8.68913 4.89568 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 6.38341 9.40198 9.18157 9.11005 8.68913 5.14347 numMergedOcc 0
57 mol 287 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 numMergedOcc 0
58 mol 287 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 numMergedOcc 0
60 mol 288 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 numMergedOcc 0
61 mol 289 unq 0 iso 0 dist 7.76945 5.25853 8.91712 4.26276 5.59555 4.62998 numMergedOcc 0
62 mol 289 unq 1 iso 0 dist 7.76945 7.19628 9.65934 4.26276 5.59555 7.23534 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 6.60049 6.94727 9.88863 7.69175 5.7131 5.98906 numMergedOcc 0
