0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 11.9621 12.2041 7.88043 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 12.8381 9.22548 6.24978 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 4.92734 9.91124 7.3915 11.723 7.96511 9.66439 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 10.7593 5.94592 6.26071 numMergedOcc 0
5 mol 13 unq 1 iso 0 dist 6.44408 6.00386 5.78148 13.9678 10.8906 8.43325 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 11.9439 10.6808 6.90155 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.51406 6.81213 5.69955 14.9006 9.78225 8.6385 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 8.21595 5.77009 8.7817 9.60744 5.26258 7.55415 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 9.60744 5.77009 7.55415 8.21595 5.26258 8.7817 numMergedOcc 0
10 mol 42 unq 0 iso 0 dist 6.86731 8.13252 9.16649 10.0639 5.59383 9.53458 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 10.615 8.13395 8.60739 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 7.63663 6.69775 6.54023 12.2091 5.22626 9.31969 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 10.1112 5.4148 7.04044 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 10.3108 4.50554 7.89665 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 13.7866 7.40461 5.39354 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.00285 10.8678 5.88354 11.8527 7.72877 5.74854 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 7.00285 10.8678 5.88354 17.2653 10.51 8.76566 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 7.00285 10.8678 5.88354 19.5694 13.5683 8.8368 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 8.02354 13.5865 5.88354 10.1372 4.50554 7.89665 numMergedOcc 0
22 mol 98 unq 6 iso 0 dist 8.02354 13.5865 5.88354 14.6816 7.40461 5.39354 numMergedOcc 0
23 mol 98 unq 7 iso 0 dist 8.02354 13.5865 5.88354 13.7128 7.72877 5.74854 numMergedOcc 0
24 mol 98 unq 8 iso 0 dist 8.02354 13.5865 5.88354 17.8475 10.51 8.76566 numMergedOcc 0
25 mol 98 unq 9 iso 0 dist 8.02354 13.5865 5.88354 21.577 13.5683 8.8368 numMergedOcc 0
26 mol 98 unq 10 iso 0 dist 9.00692 9.70366 8.8368 15.3566 13.5683 5.88354 numMergedOcc 0
27 mol 98 unq 11 iso 0 dist 9.00692 9.70366 8.8368 16.4982 13.0697 7.89665 numMergedOcc 0
28 mol 98 unq 12 iso 0 dist 9.00692 9.70366 8.8368 13.0945 8.31884 5.39354 numMergedOcc 0
29 mol 98 unq 13 iso 0 dist 9.00692 9.70366 8.8368 13.036 11.569 5.74854 numMergedOcc 0
30 mol 98 unq 14 iso 0 dist 9.00692 9.70366 8.8368 13.8315 6.66172 8.76566 numMergedOcc 0
31 mol 98 unq 15 iso 0 dist 6.26542 7.63357 8.8368 13.5014 13.5683 5.88354 numMergedOcc 0
32 mol 98 unq 16 iso 0 dist 6.26542 7.63357 8.8368 14.6204 13.0697 7.89665 numMergedOcc 0
33 mol 98 unq 17 iso 0 dist 6.26542 7.63357 8.8368 10.0471 8.31884 5.39354 numMergedOcc 0
34 mol 98 unq 18 iso 0 dist 6.26542 7.63357 8.8368 10.465 11.569 5.74854 numMergedOcc 0
35 mol 98 unq 19 iso 0 dist 6.26542 7.63357 8.8368 11.3239 6.66172 8.76566 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 9.45397 4.98336 7.55384 numMergedOcc 0
37 mol 109 unq 1 iso 0 dist 9.45397 9.01694 7.55384 8.84523 4.98336 5.34214 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 11.5266 4.85907 7.99857 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 14.2573 5.55373 8.71039 numMergedOcc 0
40 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 21.5913 13.2572 9.15431 numMergedOcc 0
41 mol 131 unq 2 iso 0 dist 8.99949 14.8405 9.29384 15.0798 6.63273 6.92648 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 9.47675 6.21253 7.86572 numMergedOcc 0
43 mol 141 unq 1 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 numMergedOcc 0
44 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 12.2067 7.31409 7.71426 numMergedOcc 0
45 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 14.894 13.7214 9.86681 numMergedOcc 0
46 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 15.8199 10.7531 6.60567 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 12.9169 7.38516 8.44861 numMergedOcc 0
48 mol 212 unq 0 iso 0 dist 9.47932 14.3725 6.29767 10.4861 4.12932 8.57827 numMergedOcc 0
49 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.89546 6.17651 6.29367 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 9.66527 5.61978 5.76954 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 8.7419 7.26742 7.862 15.7704 10.5806 9.2581 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 8.7419 7.26742 7.862 12.9952 6.9154 9.62632 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 8.96639 5.40359 6.4398 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 12.6253 10.0191 7.32982 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 8.96639 6.85179 6.4398 5.67917 5.40359 6.66971 numMergedOcc 0
57 mol 238 unq 3 iso 0 dist 8.96639 6.85179 6.4398 12.6253 10.1648 7.32982 numMergedOcc 0
58 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 13.7335 4.28414 8.44909 numMergedOcc 0
59 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 10.7821 7.26417 6.70815 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 8.21585 8.45446 7.86627 10.6274 5.30627 7.93574 numMergedOcc 0
61 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.5903 4.92077 6.04162 numMergedOcc 0
62 mol 276 unq 0 iso 0 dist 8.54938 5.38576 7.88706 11.8795 10.6102 6.70215 numMergedOcc 0
63 mol 276 unq 1 iso 0 dist 8.54938 5.38576 7.88706 11.2326 6.19843 7.25423 numMergedOcc 0
64 mol 276 unq 2 iso 0 dist 8.54938 5.38576 7.88706 11.2314 12.4616 7.23916 numMergedOcc 0
65 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 13.0289 5.74345 9.12395 numMergedOcc 0
