0 mol 0 unq 0 iso 0 dist 8.31596 6.3267 8.8123 4.22598 5.88757 8.66548 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.3267 8.31596 8.8123 4.22598 8.66548 5.88757 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.29529 7.2199 5.80437 3.91075 9.71516 9.81658 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.2199 9.29529 5.80437 3.91075 9.81658 9.71516 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.18766 7.48825 9.61004 6.49199 9.65897 13.9281 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 7.48825 7.18766 9.61004 5.57199 8.74576 10.1386 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.55901 9.03412 10.3706 4.22398 5.91068 10.6693 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.80108 6.50297 7.57085 10.7257 7.60018 13.4799 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.80108 6.50297 7.57085 11.0945 7.03126 13.3982 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.19459 8.59747 4.64409 5.11318 9.37102 7.93683 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.19459 8.59747 4.64409 6.74416 5.4605 6.7272 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.19459 8.59747 4.64409 10.7904 6.53824 9.99874 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 8.59747 9.19459 4.64409 5.11318 7.93683 9.37102 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 8.59747 9.19459 4.64409 6.74416 6.7272 5.4605 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 8.59747 9.19459 4.64409 5.63793 7.64009 10.8476 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.39249 9.86739 7.68699 4.81369 5.51885 10.4222 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 8.39249 8.93623 10.0883 4.81369 5.51885 10.4626 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 6.40036 7.99631 9.37623 5.78043 7.65255 10.2461 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.55681 6.2135 10.8776 6.37052 4.26972 10.9757 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.74171 6.85195 7.39803 7.09198 5.461 10.1665 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.75834 9.36396 15.6443 3.92979 8.91356 9.59574 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.75834 9.36396 15.6443 9.35263 9.57455 18.5825 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 8.75834 7.51827 14.0478 11.3004 5.93063 17.1874 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 9.36396 8.75834 15.6443 3.92979 9.59574 8.91356 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 6.152 7.95168 8.55671 5.99236 9.8009 11.7088 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 7.95168 6.152 8.55671 12.0749 7.79951 10.4959 numMergedOcc 0
26 mol 228 unq 0 iso 0 dist 7.46689 8.37287 8.57673 10.2762 8.6457 14.5944 numMergedOcc 0
27 mol 228 unq 1 iso 0 dist 7.46689 8.37287 8.57673 5.65339 8.8055 11.5206 numMergedOcc 0
28 mol 228 unq 2 iso 0 dist 8.37287 7.46689 8.57673 6.68878 7.84881 11.3082 numMergedOcc 0
29 mol 228 unq 3 iso 0 dist 8.07174 7.09766 8.22089 6.64821 7.86746 10.9596 numMergedOcc 0
30 mol 228 unq 4 iso 0 dist 7.09766 8.07174 8.22089 10.268 8.66946 14.1961 numMergedOcc 0
31 mol 228 unq 5 iso 0 dist 7.09766 8.07174 8.22089 5.73271 8.55761 11.1603 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.49841 9.6101 10.9755 11.8229 9.11572 7.20293 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 9.6101 8.49841 10.9755 11.8229 7.20293 9.11572 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 9.6101 5.32183 9.35875 13.9373 8.27411 12.481 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 9.6101 5.32183 9.35875 10.72 6.96257 10.9508 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.65088 6.5772 5.44694 6.29757 6.85253 10.6954 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 6.65088 8.70193 10.6286 6.29757 6.85253 13.9086 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 6.65088 6.17025 10.1756 6.29757 6.85253 9.8744 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 6.65088 9.0378 13.0634 6.29757 6.85253 9.08687 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 6.5772 6.65088 5.44694 9.79637 7.39547 10.3438 numMergedOcc 0
41 mol 238 unq 5 iso 0 dist 6.5772 8.70193 6.32518 9.79637 7.39547 11.5628 numMergedOcc 0
42 mol 238 unq 6 iso 0 dist 6.5772 6.17025 9.50847 9.79637 7.39547 7.24334 numMergedOcc 0
43 mol 238 unq 7 iso 0 dist 6.5772 9.0378 14.4744 9.79637 7.39547 13.3491 numMergedOcc 0
44 mol 238 unq 8 iso 0 dist 6.17025 6.65088 10.1756 4.02449 5.43613 10.529 numMergedOcc 0
45 mol 238 unq 9 iso 0 dist 6.17025 6.65088 10.1756 9.79637 7.24334 10.3438 numMergedOcc 0
46 mol 238 unq 10 iso 0 dist 6.17025 6.5772 9.50847 4.02449 5.43613 9.99105 numMergedOcc 0
47 mol 238 unq 11 iso 0 dist 6.17025 6.5772 9.50847 9.79637 7.24334 7.39547 numMergedOcc 0
48 mol 238 unq 12 iso 0 dist 6.17025 8.70193 12.6266 4.02449 5.43613 10.8123 numMergedOcc 0
49 mol 238 unq 13 iso 0 dist 6.17025 8.70193 12.6266 9.79637 7.24334 11.5628 numMergedOcc 0
50 mol 238 unq 14 iso 0 dist 6.17025 9.0378 6.34909 4.02449 5.43613 7.06768 numMergedOcc 0
51 mol 238 unq 15 iso 0 dist 6.17025 9.0378 6.34909 9.79637 7.24334 13.3491 numMergedOcc 0
52 mol 238 unq 16 iso 0 dist 9.0378 6.65088 13.0634 5.70572 9.82327 12.1425 numMergedOcc 0
53 mol 238 unq 17 iso 0 dist 9.0378 6.65088 13.0634 4.02449 7.06768 10.529 numMergedOcc 0
54 mol 238 unq 18 iso 0 dist 9.0378 6.65088 13.0634 6.29757 9.08687 6.85253 numMergedOcc 0
55 mol 238 unq 19 iso 0 dist 9.0378 6.5772 14.4744 5.70572 9.82327 11.316 numMergedOcc 0
56 mol 238 unq 20 iso 0 dist 9.0378 6.5772 14.4744 4.02449 7.06768 9.99105 numMergedOcc 0
57 mol 238 unq 21 iso 0 dist 9.0378 6.5772 14.4744 6.29757 9.08687 10.6954 numMergedOcc 0
58 mol 238 unq 22 iso 0 dist 9.0378 8.70193 17.3008 5.70572 9.82327 10.2916 numMergedOcc 0
59 mol 238 unq 23 iso 0 dist 9.0378 8.70193 17.3008 4.02449 7.06768 10.8123 numMergedOcc 0
60 mol 238 unq 24 iso 0 dist 9.0378 8.70193 17.3008 6.29757 9.08687 13.9086 numMergedOcc 0
61 mol 238 unq 25 iso 0 dist 9.0378 6.17025 6.34909 5.70572 9.82327 8.82776 numMergedOcc 0
62 mol 238 unq 26 iso 0 dist 9.0378 6.17025 6.34909 4.02449 7.06768 5.43613 numMergedOcc 0
63 mol 238 unq 27 iso 0 dist 9.0378 6.17025 6.34909 6.29757 9.08687 9.8744 numMergedOcc 0
64 mol 243 unq 0 iso 0 dist 9.1101 8.93338 8.07376 10.106 9.33476 15.4715 numMergedOcc 0
65 mol 270 unq 0 iso 0 dist 9.16073 6.79822 6.73396 4.69954 9.85255 10.3773 numMergedOcc 0
66 mol 270 unq 1 iso 0 dist 9.16073 8.39167 7.61559 10.7047 9.04189 13.1629 numMergedOcc 0
67 mol 270 unq 2 iso 0 dist 8.39167 9.17227 6.73396 9.04454 9.85255 10.3773 numMergedOcc 0
68 mol 270 unq 3 iso 0 dist 8.39167 9.16073 7.61559 7.66392 9.51462 9.99709 numMergedOcc 0
69 mol 270 unq 4 iso 0 dist 8.39167 9.16073 7.61559 4.66212 8.12971 11.8774 numMergedOcc 0
70 mol 270 unq 5 iso 0 dist 6.79822 9.17227 7.61559 4.4142 9.04189 13.1629 numMergedOcc 0
71 mol 270 unq 6 iso 0 dist 9.17227 6.79822 7.61559 3.98629 9.51462 9.99709 numMergedOcc 0
72 mol 270 unq 7 iso 0 dist 9.17227 6.79822 7.61559 8.41656 8.12971 11.8774 numMergedOcc 0
