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2 mol 0 unq 1 iso 0 dist 9.99338 14.9294 8.13129 16.1331 6.43144 6.34883 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 8.13129 14.9294 9.99338 6.34883 6.43144 16.1331 numMergedOcc 0
4 mol 0 unq 2 iso 0 dist 9.99338 14.9294 8.13129 6.05328 8.69282 10.5439 numMergedOcc 0
5 mol 0 unq 2 iso 1 dist 8.13129 14.9294 9.99338 10.5439 8.69282 6.05328 numMergedOcc 0
6 mol 0 unq 3 iso 0 dist 9.99338 15.247 9.07223 9.64573 6.78251 11.9599 numMergedOcc 0
7 mol 0 unq 3 iso 1 dist 9.07223 15.247 9.99338 11.9599 6.78251 9.64573 numMergedOcc 0
8 mol 0 unq 4 iso 0 dist 9.99338 15.247 9.07223 16.1331 6.43144 9.19662 numMergedOcc 0
9 mol 0 unq 4 iso 1 dist 9.07223 15.247 9.99338 9.19662 6.43144 16.1331 numMergedOcc 0
10 mol 0 unq 5 iso 0 dist 9.99338 15.247 9.07223 6.05328 8.69282 10.4442 numMergedOcc 0
11 mol 0 unq 5 iso 1 dist 9.07223 15.247 9.99338 10.4442 8.69282 6.05328 numMergedOcc 0
12 mol 0 unq 3 iso 0 dist 8.13129 7.19817 9.07223 7.29879 6.78251 11.9599 numMergedOcc 0
13 mol 0 unq 3 iso 1 dist 9.07223 7.19817 8.13129 11.9599 6.78251 7.29879 numMergedOcc 0
14 mol 0 unq 4 iso 0 dist 8.13129 7.19817 9.07223 6.34883 6.43144 9.19662 numMergedOcc 0
15 mol 0 unq 4 iso 1 dist 9.07223 7.19817 8.13129 9.19662 6.43144 6.34883 numMergedOcc 0
16 mol 0 unq 5 iso 0 dist 8.13129 7.19817 9.07223 10.5439 8.69282 10.4442 numMergedOcc 0
17 mol 0 unq 5 iso 1 dist 9.07223 7.19817 8.13129 10.4442 8.69282 10.5439 numMergedOcc 0
18 mol 7 unq 0 iso 0 dist 7.5706 9.0379 6.28925 14.6803 7.12105 10.2446 numMergedOcc 0
19 mol 7 unq 0 iso 1 dist 6.28925 9.0379 7.5706 10.2446 7.12105 14.6803 numMergedOcc 0
20 mol 7 unq 1 iso 0 dist 7.5706 15.4949 8.70159 14.6803 7.12105 5.44992 numMergedOcc 0
21 mol 7 unq 1 iso 1 dist 8.70159 15.4949 7.5706 5.44992 7.12105 14.6803 numMergedOcc 0
22 mol 7 unq 1 iso 0 dist 6.28925 13.2247 8.70159 10.2446 7.12105 5.44992 numMergedOcc 0
23 mol 7 unq 1 iso 1 dist 8.70159 13.2247 6.28925 5.44992 7.12105 10.2446 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 9.30021 6.9948 5.62635 4.18004 8.03724 8.42713 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 5.62635 6.9948 9.30021 8.42713 8.03724 4.18004 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.30559 13.5016 5.96359 9.14315 7.65996 7.48682 numMergedOcc 0
27 mol 88 unq 0 iso 1 dist 5.96359 13.5016 9.30559 7.48682 7.65996 9.14315 numMergedOcc 0
28 mol 88 unq 1 iso 0 dist 9.30559 11.8813 7.48974 9.14315 7.65996 7.54949 numMergedOcc 0
29 mol 88 unq 1 iso 1 dist 7.48974 11.8813 9.30559 7.54949 7.65996 9.14315 numMergedOcc 0
30 mol 88 unq 2 iso 0 dist 9.30559 11.6198 8.40428 9.14315 7.65996 11.2245 numMergedOcc 0
31 mol 88 unq 2 iso 1 dist 8.40428 11.6198 9.30559 11.2245 7.65996 9.14315 numMergedOcc 0
32 mol 88 unq 3 iso 0 dist 6.066 5.57085 9.36032 5.31226 6.92784 9.61103 numMergedOcc 0
33 mol 88 unq 3 iso 1 dist 9.36032 5.57085 6.066 9.61103 6.92784 5.31226 numMergedOcc 0
34 mol 88 unq 4 iso 0 dist 6.066 9.94966 8.3592 5.31226 6.92784 7.48682 numMergedOcc 0
35 mol 88 unq 4 iso 1 dist 8.3592 9.94966 6.066 7.48682 6.92784 5.31226 numMergedOcc 0
36 mol 88 unq 4 iso 0 dist 9.36032 10.9968 8.3592 9.61103 6.92784 7.48682 numMergedOcc 0
37 mol 88 unq 4 iso 1 dist 8.3592 10.9968 9.36032 7.48682 6.92784 9.61103 numMergedOcc 0
38 mol 88 unq 1 iso 0 dist 5.96359 4.96064 7.48974 7.48682 7.65996 7.54949 numMergedOcc 0
39 mol 88 unq 1 iso 1 dist 7.48974 4.96064 5.96359 7.54949 7.65996 7.48682 numMergedOcc 0
40 mol 88 unq 2 iso 0 dist 5.96359 8.62396 8.40428 7.48682 7.65996 11.2245 numMergedOcc 0
41 mol 88 unq 2 iso 1 dist 8.40428 8.62396 5.96359 11.2245 7.65996 7.48682 numMergedOcc 0
42 mol 88 unq 2 iso 0 dist 7.48974 5.05664 8.40428 7.54949 7.65996 11.2245 numMergedOcc 0
43 mol 88 unq 2 iso 1 dist 8.40428 5.05664 7.48974 11.2245 7.65996 7.54949 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 9.70093 9.93257 6.69217 5.75886 7.05969 6.4739 numMergedOcc 0
45 mol 119 unq 0 iso 1 dist 6.69217 9.93257 9.70093 6.4739 7.05969 5.75886 numMergedOcc 0
46 mol 119 unq 1 iso 0 dist 9.70093 9.93257 6.69217 13.52 9.69257 3.78311 numMergedOcc 0
47 mol 119 unq 1 iso 1 dist 6.69217 9.93257 9.70093 3.78311 9.69257 13.52 numMergedOcc 0
48 mol 133 unq 0 iso 0 dist 9.64695 8.18495 4.51266 8.28698 6.85886 5.74088 numMergedOcc 0
49 mol 133 unq 0 iso 1 dist 4.51266 8.18495 9.64695 5.74088 6.85886 8.28698 numMergedOcc 0
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51 mol 178 unq 0 iso 1 dist 8.94945 5.18005 7.12045 8.65097 7.88301 9.79302 numMergedOcc 0
52 mol 219 unq 0 iso 0 dist 5.40597 7.02195 7.66784 8.0904 8.54848 13.5905 numMergedOcc 0
53 mol 219 unq 0 iso 1 dist 7.66784 7.02195 5.40597 13.5905 8.54848 8.0904 numMergedOcc 0
54 mol 219 unq 1 iso 0 dist 5.40597 13.4387 8.69579 8.0904 8.54848 15.7531 numMergedOcc 0
55 mol 219 unq 1 iso 1 dist 8.69579 13.4387 5.40597 15.7531 8.54848 8.0904 numMergedOcc 0
56 mol 219 unq 2 iso 0 dist 5.40597 10.8119 6.71733 8.0904 8.54848 10.1691 numMergedOcc 0
57 mol 219 unq 2 iso 1 dist 6.71733 10.8119 5.40597 10.1691 8.54848 8.0904 numMergedOcc 0
58 mol 219 unq 1 iso 0 dist 7.66784 10.7348 8.69579 13.5905 8.54848 15.7531 numMergedOcc 0
59 mol 219 unq 1 iso 1 dist 8.69579 10.7348 7.66784 15.7531 8.54848 13.5905 numMergedOcc 0
60 mol 219 unq 2 iso 0 dist 7.66784 10.6748 6.71733 13.5905 8.54848 10.1691 numMergedOcc 0
61 mol 219 unq 2 iso 1 dist 6.71733 10.6748 7.66784 10.1691 8.54848 13.5905 numMergedOcc 0
62 mol 219 unq 2 iso 0 dist 8.69579 6.74494 6.71733 15.7531 8.54848 10.1691 numMergedOcc 0
63 mol 219 unq 2 iso 1 dist 6.71733 6.74494 8.69579 10.1691 8.54848 15.7531 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 7.77578 7.9315 7.38552 5.14473 4.96527 9.62106 numMergedOcc 0
65 mol 229 unq 0 iso 1 dist 7.38552 7.9315 7.77578 9.62106 4.96527 5.14473 numMergedOcc 0
66 mol 239 unq 0 iso 0 dist 5.45139 12.7454 8.10769 8.9361 9.06516 10.2245 numMergedOcc 0
67 mol 239 unq 0 iso 1 dist 8.10769 12.7454 5.45139 10.2245 9.06516 8.9361 numMergedOcc 0
68 mol 264 unq 0 iso 0 dist 8.29556 7.07277 8.47755 4.48907 6.74637 9.09085 numMergedOcc 0
69 mol 264 unq 0 iso 1 dist 8.47755 7.07277 8.29556 9.09085 6.74637 4.48907 numMergedOcc 0
70 mol 270 unq 0 iso 0 dist 8.34847 10.6327 9.73905 4.7203 7.80319 6.69538 numMergedOcc 0
71 mol 270 unq 0 iso 1 dist 9.73905 10.6327 8.34847 6.69538 7.80319 4.7203 numMergedOcc 0
72 mol 270 unq 1 iso 0 dist 8.34847 10.6327 9.73905 9.50664 6.38788 4.69698 numMergedOcc 0
73 mol 270 unq 1 iso 1 dist 9.73905 10.6327 8.34847 4.69698 6.38788 9.50664 numMergedOcc 0
