0 mol 11 unq 0 iso 0 dist 9.52695 9.07476 6.76736 9.46202 10.0282 6.83186 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 9.04534 6.51674 9.26728 9.81983 6.83186 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 6.88374 9.54314 7.1742 9.09265 9.50826 8.14512 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 6.88374 9.54314 7.1742 7.57764 10.7206 9.13228 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.62309 7.7399 8.93569 12.6706 14.0552 8.10623 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.37888 5.48163 3.98877 6.87448 8.4219 8.10623 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.11438 7.7399 3.98877 12.6706 8.4219 8.10623 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.4518 7.54391 14.149 14.4533 20.257 9.66837 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.1687 7.54391 6.48338 14.4533 11.4742 9.66837 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.25249 9.68556 3.61204 4.48773 7.55367 6.5816 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.41411 8.73928 3.61204 3.78499 7.55367 6.5816 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 3.77247 5.35711 7.02358 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 9.66068 7.96893 6.29259 3.74516 7.40338 5.31126 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 9.66068 7.96893 6.29259 7.32784 10.4064 4.49669 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 9.66068 7.96893 6.29259 8.46561 11.5441 6.00221 numMergedOcc 0
15 mol 113 unq 4 iso 0 dist 8.03783 7.96893 8.17309 3.74516 6.23759 5.31126 numMergedOcc 0
16 mol 113 unq 5 iso 0 dist 8.03783 7.96893 8.17309 7.32784 11.148 4.49669 numMergedOcc 0
17 mol 113 unq 6 iso 0 dist 8.03783 7.96893 8.17309 8.46561 12.8832 6.00221 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 8.73484 8.03124 8.87094 6.03314 12.784 9.31385 numMergedOcc 0
19 mol 120 unq 1 iso 0 dist 8.73484 8.03124 8.87094 4.74539 11.9801 6.98791 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 9.49761 8.46801 12.2606 7.67031 11.8543 7.76123 numMergedOcc 0
21 mol 128 unq 1 iso 0 dist 9.49761 8.46801 12.2606 4.62046 12.3001 6.08651 numMergedOcc 0
22 mol 128 unq 2 iso 0 dist 6.03154 8.46801 6.30769 7.67031 10.8446 7.76123 numMergedOcc 0
23 mol 128 unq 3 iso 0 dist 6.03154 8.46801 6.30769 4.62046 7.4442 6.08651 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 8.30496 9.48934 8.79381 10.5537 12.9127 5.60448 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 6.78469 9.48934 5.16197 10.5537 9.62774 5.60448 numMergedOcc 0
26 mol 141 unq 2 iso 0 dist 8.01453 6.41183 5.16197 5.51254 9.62774 5.60448 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 7.13766 6.12453 5.86767 numMergedOcc 0
28 mol 169 unq 0 iso 0 dist 5.51388 7.33643 3.83687 3.89732 5.41121 6.96715 numMergedOcc 0
29 mol 169 unq 1 iso 0 dist 8.17917 7.78577 7.83748 3.69097 6.35799 5.10589 numMergedOcc 0
30 mol 169 unq 2 iso 0 dist 8.17917 7.78577 7.83748 7.14832 10.8214 4.63336 numMergedOcc 0
31 mol 169 unq 3 iso 0 dist 8.17917 7.78577 7.83748 8.01356 12.7569 6.10715 numMergedOcc 0
32 mol 169 unq 4 iso 0 dist 7.91434 7.50458 14.0793 4.24401 11.3376 5.10589 numMergedOcc 0
33 mol 169 unq 5 iso 0 dist 7.91434 5.79554 13.629 4.24401 11.3376 4.63336 numMergedOcc 0
34 mol 169 unq 6 iso 0 dist 7.91434 4.22003 11.1464 4.24401 11.3376 6.10715 numMergedOcc 0
35 mol 169 unq 7 iso 0 dist 7.79437 7.50458 14.1141 4.24401 9.84538 5.10589 numMergedOcc 0
36 mol 169 unq 8 iso 0 dist 7.79437 5.79554 13.1539 4.24401 9.84538 4.63336 numMergedOcc 0
37 mol 169 unq 9 iso 0 dist 7.79437 4.22003 11.6489 4.24401 9.84538 6.10715 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 8.03512 8.76748 9.87573 3.48476 10.9961 9.55626 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 9.41148 9.67243 9.85068 9.5606 15.4302 9.64861 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.83422 9.67243 12.3471 9.5606 9.83281 9.64861 numMergedOcc 0
41 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 3.43711 6.12343 7.04263 numMergedOcc 0
42 mol 260 unq 1 iso 0 dist 5.68717 7.88108 3.60349 8.84611 4.52405 6.48099 numMergedOcc 0
43 mol 260 unq 2 iso 0 dist 5.68717 9.46576 7.28821 3.48905 6.49413 8.62655 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 7.76945 7.84189 5.39801 9.51119 9.25759 4.68668 numMergedOcc 0
