0 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 13.8619 12.4076 6.82379 16.8935 14.1378 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 12.8381 9.22548 6.24978 16.8935 14.1378 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 4.92734 9.91124 7.3915 11.723 7.96511 9.66439 16.8935 14.1378 8.77457 10.4848 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 6.44408 6.00386 5.78148 10.7593 5.94592 6.26071 5.99004 4.56335 7.98679 8.87621 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 6.44408 6.00386 5.78148 13.9678 10.8906 8.43325 5.99004 4.56335 7.98679 12.9999 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 10.1112 5.4148 7.04044 13.2119 6.56633 6.48232 5.11416 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 10.3108 4.50554 7.89665 6.04768 4.67519 6.62972 6.6076 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 13.7866 7.40461 5.39354 6.04768 4.67519 6.62972 10.6513 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.00285 10.8678 5.88354 11.8527 7.72877 5.74854 6.04768 4.67519 6.62972 10.4027 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.00285 10.8678 5.88354 17.2653 10.51 8.76566 6.04768 4.67519 6.62972 12.3568 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.00285 10.8678 5.88354 19.5694 13.5683 8.8368 6.04768 4.67519 6.62972 14.5457 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 8.02354 13.5865 5.88354 10.1372 4.50554 7.89665 9.40173 4.67519 6.62972 6.6076 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 8.02354 13.5865 5.88354 14.6816 7.40461 5.39354 9.40173 4.67519 6.62972 10.6513 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 8.02354 13.5865 5.88354 13.7128 7.72877 5.74854 9.40173 4.67519 6.62972 10.4027 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 8.02354 13.5865 5.88354 17.8475 10.51 8.76566 9.40173 4.67519 6.62972 12.3568 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 8.02354 13.5865 5.88354 21.577 13.5683 8.8368 9.40173 4.67519 6.62972 14.5457 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 9.00692 9.70366 8.8368 15.3566 13.5683 5.88354 13.9717 14.5457 6.62972 4.67519 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 9.00692 9.70366 8.8368 16.4982 13.0697 7.89665 13.9717 14.5457 6.62972 6.6076 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 9.00692 9.70366 8.8368 13.0945 8.31884 5.39354 13.9717 14.5457 6.62972 10.6513 numMergedOcc 0
19 mol 98 unq 13 iso 0 dist 9.00692 9.70366 8.8368 13.036 11.569 5.74854 13.9717 14.5457 6.62972 10.4027 numMergedOcc 0
20 mol 98 unq 14 iso 0 dist 9.00692 9.70366 8.8368 13.8315 6.66172 8.76566 13.9717 14.5457 6.62972 12.3568 numMergedOcc 0
21 mol 98 unq 15 iso 0 dist 6.26542 7.63357 8.8368 13.5014 13.5683 5.88354 13.1306 14.5457 6.62972 4.67519 numMergedOcc 0
22 mol 98 unq 16 iso 0 dist 6.26542 7.63357 8.8368 14.6204 13.0697 7.89665 13.1306 14.5457 6.62972 6.6076 numMergedOcc 0
23 mol 98 unq 17 iso 0 dist 6.26542 7.63357 8.8368 10.0471 8.31884 5.39354 13.1306 14.5457 6.62972 10.6513 numMergedOcc 0
24 mol 98 unq 18 iso 0 dist 6.26542 7.63357 8.8368 10.465 11.569 5.74854 13.1306 14.5457 6.62972 10.4027 numMergedOcc 0
25 mol 98 unq 19 iso 0 dist 6.26542 7.63357 8.8368 11.3239 6.66172 8.76566 13.1306 14.5457 6.62972 12.3568 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 14.2573 5.55373 8.71039 17.5551 10.3369 8.92828 7.92788 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 9.33945 11.8905 8.86329 14.2573 5.55373 8.71039 12.7271 7.7567 5.56627 8.23791 numMergedOcc 0
28 mol 131 unq 2 iso 0 dist 8.99949 14.8405 9.29384 21.5913 13.2572 9.15431 19.8362 13.1439 5.44303 6.51918 numMergedOcc 0
29 mol 131 unq 3 iso 0 dist 8.99949 14.8405 9.29384 21.5913 13.2572 9.15431 20.1653 13.7237 8.50562 9.60968 numMergedOcc 0
30 mol 131 unq 4 iso 0 dist 8.99949 14.8405 9.29384 15.0798 6.63273 6.92648 19.8362 13.1439 5.44303 7.92788 numMergedOcc 0
31 mol 131 unq 5 iso 0 dist 8.99949 14.8405 9.29384 15.0798 6.63273 6.92648 20.1653 13.7237 8.50562 8.23791 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 9.47675 6.21253 7.86572 12.3922 10.1386 4.46777 10.1432 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 7.34465 7.97183 6.69515 9.47675 6.21253 7.86572 13.2114 7.42649 6.94988 9.43674 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 12.3922 10.1432 4.46777 10.1386 numMergedOcc 0
35 mol 141 unq 3 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 13.2114 9.43674 6.94988 7.42649 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 12.9169 7.38516 8.44861 14.7915 14.4523 9.17946 13.0658 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.89546 6.17651 6.29367 14.8197 10.9043 8.3087 4.92618 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 4.851 11.3699 9.20961 9.66527 5.61978 5.76954 14.8197 10.9043 8.3087 7.84019 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 8.7419 7.26742 7.862 15.7704 10.5806 9.2581 13.4892 7.75466 9.08955 5.89689 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.7419 7.26742 7.862 15.7704 10.5806 9.2581 13.509 12.1951 8.88664 8.92719 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 8.7419 7.26742 7.862 15.7704 10.5806 9.2581 13.6 11.6161 7.16819 5.82526 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 8.7419 7.26742 7.862 12.9952 6.9154 9.62632 13.4892 7.75466 9.08955 10.6944 numMergedOcc 0
43 mol 222 unq 4 iso 0 dist 8.7419 7.26742 7.862 12.9952 6.9154 9.62632 13.509 12.1951 8.88664 15.4372 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 8.7419 7.26742 7.862 12.9952 6.9154 9.62632 13.6 11.6161 7.16819 12.9388 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 10.7821 7.26417 6.70815 20.2408 13.2927 9.91199 10.8558 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.5903 4.92077 6.04162 6.12402 5.24812 7.21655 6.26382 numMergedOcc 0
