0 mol 7 unq 0 iso 0 dist 5.77374 8.57437 5.63739 9.33944 8.0166 9.32945 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 5.77374 5.63739 10.0257 9.67498 11.1694 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.57437 5.77374 5.63739 9.33944 9.32945 8.0166 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 6.50216 9.83073 11.1772 10.8401 7.95419 17.5277 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.28917 7.02173 4.18809 14.4616 8.30431 11.8679 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 9.10386 5.47475 7.53682 5.39171 9.27355 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.10386 5.58346 5.47475 7.53682 9.27355 5.39171 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.68726 9.78545 6.18163 5.41551 6.328 11.7293 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.46882 9.97998 6.18163 5.54987 6.328 11.7293 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.81131 6.61879 9.79542 4.24483 7.90837 10.1013 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 5.74364 8.60026 10.1168 4.68995 8.67865 8.40148 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 8.60026 5.74364 10.1168 4.68995 8.40148 8.67865 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.97361 8.52125 10.2399 6.46237 5.61016 13.6718 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.52125 6.97361 10.2399 5.60763 7.11187 11.7021 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 8.52125 6.97361 10.2399 13.5152 6.60356 16.023 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 8.9889 9.99089 5.72399 10.1806 7.57822 11.7703 numMergedOcc 0
16 mol 103 unq 1 iso 0 dist 6.67575 9.81273 10.0023 4.36597 7.57822 13.595 numMergedOcc 0
17 mol 108 unq 0 iso 0 dist 5.52402 7.57593 6.45014 4.2179 9.32474 8.80334 numMergedOcc 0
18 mol 108 unq 1 iso 0 dist 7.57593 5.52402 6.45014 4.2179 8.80334 9.32474 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 8.52428 6.00651 9.36152 7.75436 9.13646 13.0859 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.22427 6.60739 7.64654 14.778 9.71692 15.1517 numMergedOcc 0
21 mol 148 unq 1 iso 0 dist 9.22427 5.55129 12.4819 14.778 9.71692 18.9172 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 9.32504 6.71763 7.66386 14.922 9.73708 15.246 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 9.32504 5.53778 12.4343 14.922 9.73708 18.9215 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 9.92635 5.83335 14.4206 13.34 6.21267 17.479 numMergedOcc 0
25 mol 183 unq 1 iso 0 dist 9.92635 5.83335 14.4206 13.9426 7.41743 19.4773 numMergedOcc 0
26 mol 183 unq 2 iso 0 dist 7.85507 9.86506 15.9375 9.98606 6.21267 15.8614 numMergedOcc 0
27 mol 183 unq 3 iso 0 dist 7.85507 9.86506 15.9375 11.9935 7.41743 20.7227 numMergedOcc 0
28 mol 183 unq 4 iso 0 dist 7.85507 7.86724 14.4206 9.98606 6.21267 17.479 numMergedOcc 0
29 mol 183 unq 5 iso 0 dist 7.85507 7.86724 14.4206 11.9935 7.41743 19.4773 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 5.79753 8.47576 5.42954 12.1167 8.51118 11.6998 numMergedOcc 0
31 mol 197 unq 1 iso 0 dist 7.56537 9.89975 7.28269 5.79567 8.51118 6.5 numMergedOcc 0
32 mol 197 unq 2 iso 0 dist 9.89975 7.56537 7.28269 5.79567 6.5 8.51118 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 9.32657 6.21409 6.26321 6.78359 9.89311 7.71155 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 6.21409 9.32657 6.26321 6.78359 7.71155 9.89311 numMergedOcc 0
35 mol 219 unq 0 iso 0 dist 9.52151 8.62654 16.4807 7.00921 4.67452 13.7029 numMergedOcc 0
36 mol 219 unq 1 iso 0 dist 9.52151 8.62654 16.4807 10.3376 9.86916 18.7473 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.91921 8.20243 4.85921 6.12122 6.74214 5.33462 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.20243 9.91921 4.85921 6.12122 5.33462 6.74214 numMergedOcc 0
39 mol 244 unq 0 iso 0 dist 6.06284 9.21743 5.61236 5.45847 6.51428 11.8474 numMergedOcc 0
40 mol 245 unq 0 iso 0 dist 6.58637 5.48167 6.22658 5.43086 6.41862 8.69377 numMergedOcc 0
41 mol 245 unq 1 iso 0 dist 6.58637 5.48167 6.22658 8.73552 9.85927 12.8794 numMergedOcc 0
42 mol 245 unq 2 iso 0 dist 5.48167 6.58637 6.22658 5.43086 8.69377 6.41862 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 7.97113 5.22111 4.70261 6.92619 8.91916 4.55368 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 5.22111 7.97113 4.70261 9.98638 9.45077 12.6314 numMergedOcc 0
45 mol 259 unq 2 iso 0 dist 5.22111 7.97113 4.70261 6.92619 4.55368 8.91916 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 8.38479 8.53598 4.70261 11.3266 8.91916 4.55368 numMergedOcc 0
47 mol 259 unq 4 iso 0 dist 8.53598 8.38479 4.70261 12.9823 9.45077 12.6314 numMergedOcc 0
48 mol 259 unq 5 iso 0 dist 8.53598 8.38479 4.70261 11.3266 4.55368 8.91916 numMergedOcc 0
49 mol 266 unq 0 iso 0 dist 3.90274 7.49024 9.45269 5.01049 5.28417 12.4971 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 7.62562 8.15217 6.07831 10.4456 6.12202 11.8821 numMergedOcc 0
51 mol 280 unq 0 iso 0 dist 7.10723 8.01368 9.14734 9.13465 7.02503 12.2852 numMergedOcc 0
52 mol 280 unq 1 iso 0 dist 7.10723 8.01368 9.14734 14.2183 9.18164 16.9688 numMergedOcc 0
53 mol 280 unq 2 iso 0 dist 8.01368 7.10723 9.14734 13.0497 9.05509 14.5604 numMergedOcc 0
