0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.0935 12.8323 8.41585 17.9527 10.1841 9.68596 14.7759 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 16.1592 10.4353 9.12854 5.59311 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 16.1592 13.7009 8.70827 5.59311 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 10.9795 4.08755 6.73939 12.176 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 10.9795 10.0453 9.41441 6.66749 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 10.9795 10.0453 9.41441 14.012 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 12.0615 3.904 8.87757 5.77929 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 8.15039 7.70367 9.03564 11.5793 6.75591 8.66265 13.5131 9.76482 7.16773 6.63327 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 8.4204 15.7954 9.49454 13.3662 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 8.4204 15.7954 9.49454 12.0666 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 8.4204 15.7954 9.49454 11.4333 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 8.4204 10.4348 9.49454 13.3662 numMergedOcc 0
12 mol 95 unq 4 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 8.4204 10.4348 9.49454 12.0666 numMergedOcc 0
13 mol 95 unq 5 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 8.4204 10.4348 9.49454 11.4333 numMergedOcc 0
14 mol 95 unq 6 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 8.4204 5.88327 9.49454 13.3662 numMergedOcc 0
15 mol 95 unq 7 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 8.4204 5.88327 9.49454 12.0666 numMergedOcc 0
16 mol 95 unq 8 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 8.4204 5.88327 9.49454 11.4333 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 5.21813 3.92737 4.47349 7.06961 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 5.21813 3.94967 6.7117 7.06961 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 5.21813 3.94967 4.47349 7.06961 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 10.8115 5.70579 5.86073 8.49444 7.1951 8.8822 10.1816 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 5.32773 12.9469 8.80934 10.8115 5.70579 5.86073 5.55446 3.84573 9.66219 8.42718 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 6.08299 11.5269 9.94764 4.57832 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 6.08299 11.5269 9.94764 5.29786 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 6.08299 6.93712 6.23142 4.57832 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 6.08299 6.93712 6.23142 5.29786 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 6.08299 6.93712 6.23142 5.71679 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 6.08299 6.93712 9.94764 4.57832 numMergedOcc 0
28 mol 134 unq 6 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 6.08299 6.93712 9.94764 5.29786 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 9.00537 9.40374 6.61112 10.8152 11.0961 7.54065 6.19189 4.03697 8.73217 11.7429 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 8.9388 12.4751 6.61112 18.4039 11.0961 7.54065 8.34668 4.03697 8.73217 11.7429 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 13.7769 9.49403 6.03031 6.32542 5.28417 6.03688 8.15057 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 6.32542 5.28417 6.03688 12.4957 numMergedOcc 0
33 mol 205 unq 2 iso 0 dist 6.32553 9.40714 6.52816 9.25882 3.56269 7.80463 6.32542 5.28417 6.03688 6.09749 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.9467 5.74165 8.23192 11.609 3.85188 8.76935 6.60697 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 8.96099 5.13362 7.10671 11.9467 5.74165 8.23192 12.7939 6.25256 8.47652 4.26017 numMergedOcc 0
36 mol 243 unq 2 iso 0 dist 6.56525 5.8297 7.10671 10.8689 5.74165 8.23192 7.30188 3.85188 8.76935 6.60697 numMergedOcc 0
37 mol 243 unq 3 iso 0 dist 6.56525 5.8297 7.10671 10.8689 5.74165 8.23192 9.75388 6.25256 8.47652 4.26017 numMergedOcc 0
38 mol 243 unq 4 iso 0 dist 5.46817 5.8297 8.67156 10.8689 9.89868 8.23192 7.30188 4.21383 8.76935 6.60697 numMergedOcc 0
39 mol 243 unq 5 iso 0 dist 5.46817 5.8297 8.67156 10.8689 9.89868 8.23192 9.75388 6.94795 8.47652 4.26017 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.0145 7.8414 8.2734 10.2691 13.8094 7.07965 10.8848 numMergedOcc 0
