0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 10.6501 8.79272 7.12263 5.7531 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 10.6477 6.32152 5.00267 11.0223 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 4.92734 9.91124 7.3915 12.8381 9.22548 6.24978 10.6501 8.79272 7.12263 4.88215 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 4.92734 9.91124 7.3915 12.8381 9.22548 6.24978 10.6477 6.32152 5.00267 6.80407 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 4.92734 9.91124 7.3915 11.723 7.96511 9.66439 10.6501 8.79272 7.12263 6.36434 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 4.92734 9.91124 7.3915 11.723 7.96511 9.66439 10.6477 6.32152 5.00267 8.44094 numMergedOcc 0
6 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 10.7593 5.94592 6.26071 14.5084 10.9884 9.10587 7.39275 numMergedOcc 0
7 mol 13 unq 1 iso 0 dist 6.44408 6.00386 5.78148 13.9678 10.8906 8.43325 14.5084 10.9884 9.10587 7.82977 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 10.615 8.13395 8.60739 12.0359 7.05402 7.31982 5.48048 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 10.3108 4.50554 7.89665 15.5041 10.7735 7.63183 9.38161 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 13.7866 7.40461 5.39354 15.5041 10.7735 7.63183 10.5878 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 7.00285 10.8678 5.88354 11.8527 7.72877 5.74854 15.5041 10.7735 7.63183 13.1711 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 7.00285 10.8678 5.88354 17.2653 10.51 8.76566 15.5041 10.7735 7.63183 7.42291 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 7.00285 10.8678 5.88354 19.5694 13.5683 8.8368 15.5041 10.7735 7.63183 8.01486 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 8.02354 13.5865 5.88354 10.1372 4.50554 7.89665 18.0219 10.7735 7.63183 9.38161 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 8.02354 13.5865 5.88354 14.6816 7.40461 5.39354 18.0219 10.7735 7.63183 10.5878 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 8.02354 13.5865 5.88354 13.7128 7.72877 5.74854 18.0219 10.7735 7.63183 13.1711 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 8.02354 13.5865 5.88354 17.8475 10.51 8.76566 18.0219 10.7735 7.63183 7.42291 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 8.02354 13.5865 5.88354 21.577 13.5683 8.8368 18.0219 10.7735 7.63183 8.01486 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 9.00692 9.70366 8.8368 15.3566 13.5683 5.88354 9.45186 8.01486 7.63183 10.7735 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 9.00692 9.70366 8.8368 16.4982 13.0697 7.89665 9.45186 8.01486 7.63183 9.38161 numMergedOcc 0
21 mol 98 unq 12 iso 0 dist 9.00692 9.70366 8.8368 13.0945 8.31884 5.39354 9.45186 8.01486 7.63183 10.5878 numMergedOcc 0
22 mol 98 unq 13 iso 0 dist 9.00692 9.70366 8.8368 13.036 11.569 5.74854 9.45186 8.01486 7.63183 13.1711 numMergedOcc 0
23 mol 98 unq 14 iso 0 dist 9.00692 9.70366 8.8368 13.8315 6.66172 8.76566 9.45186 8.01486 7.63183 7.42291 numMergedOcc 0
24 mol 98 unq 15 iso 0 dist 6.26542 7.63357 8.8368 13.5014 13.5683 5.88354 8.6964 8.01486 7.63183 10.7735 numMergedOcc 0
25 mol 98 unq 16 iso 0 dist 6.26542 7.63357 8.8368 14.6204 13.0697 7.89665 8.6964 8.01486 7.63183 9.38161 numMergedOcc 0
26 mol 98 unq 17 iso 0 dist 6.26542 7.63357 8.8368 10.0471 8.31884 5.39354 8.6964 8.01486 7.63183 10.5878 numMergedOcc 0
27 mol 98 unq 18 iso 0 dist 6.26542 7.63357 8.8368 10.465 11.569 5.74854 8.6964 8.01486 7.63183 13.1711 numMergedOcc 0
28 mol 98 unq 19 iso 0 dist 6.26542 7.63357 8.8368 11.3239 6.66172 8.76566 8.6964 8.01486 7.63183 7.42291 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 11.5266 4.85907 7.99857 7.20629 3.78311 8.03035 4.99056 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 21.5913 13.2572 9.15431 22.1491 15.7796 7.76594 7.21005 numMergedOcc 0
31 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 15.0798 6.63273 6.92648 22.1491 15.7796 7.76594 11.5688 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 9.47675 6.21253 7.86572 14.8886 9.76015 8.26172 8.24418 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 14.8886 8.24418 8.26172 9.76015 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 12.2067 7.31409 7.71426 13.5884 9.61561 7.82546 4.44751 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 14.894 13.7214 9.86681 13.5884 9.61561 7.82546 10.2067 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.89546 6.17651 6.29367 9.27651 8.94041 8.93185 6.90702 numMergedOcc 0
37 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 9.66527 5.61978 5.76954 9.27651 8.94041 8.93185 10.4526 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 13.5057 10.5813 9.56257 7.22396 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 8.96639 5.40359 6.4398 14.5395 10.7508 9.89583 5.87253 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 12.6253 10.0191 7.32982 14.5395 10.7508 9.89583 10.7551 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 8.96639 6.85179 6.4398 5.67917 5.40359 6.66971 14.5395 5.87253 9.89583 10.7508 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 8.96639 6.85179 6.4398 12.6253 10.1648 7.32982 14.5395 5.87253 9.89583 10.7551 numMergedOcc 0
43 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 13.7335 4.28414 8.44909 16.3061 10.6074 9.53915 9.23135 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 10.7821 7.26417 6.70815 12.9634 5.27959 6.47194 6.6525 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.5903 4.92077 6.04162 11.5801 9.37297 5.74568 6.84156 numMergedOcc 0
