0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 10.7734 13.8584 7.98326 13.3734 13.9319 8.05578 7.90478 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 9.62262 10.604 7.46578 13.3734 13.9319 8.05578 7.16561 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 12.2059 12.2662 10.3279 5.95834 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 9.01567 8.67951 7.88693 4.2121 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 7.29868 8.52463 10.2653 6.72323 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 7.33768 4.32034 7.88693 8.00171 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 12.2059 12.2662 4.15946 5.95834 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 7.29868 8.52463 6.16544 6.72323 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 7.33768 4.32034 10.2653 8.00171 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 12.2059 12.2662 9.92026 5.95834 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 9.01567 8.67951 6.16544 4.2121 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 12.9284 4.32034 10.2653 8.00171 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 17.592 12.2662 9.92026 5.95834 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 13.4393 8.67951 6.16544 4.2121 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 12.9284 10.1325 10.2653 8.00171 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 17.592 17.3058 9.92026 5.95834 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 13.4393 13.6595 6.16544 4.2121 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 11.3566 6.56748 9.92026 5.95834 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 9.83002 4.50066 6.16544 4.2121 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 16.8439 11.9112 10.2653 8.00171 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 11.3566 18.1606 9.92026 5.95834 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 9.83002 16.0443 6.16544 4.2121 numMergedOcc 0
22 mol 24 unq 20 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 16.8439 21.6951 10.2653 8.00171 numMergedOcc 0
23 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 9.01548 13.9331 12.6805 8.88938 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 7.45383 7.33728 12.6805 6.25843 numMergedOcc 0
25 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 13.8469 10.5328 12.6805 8.88938 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 13.8469 10.4337 12.6805 8.88938 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 11.3043 7.94178 10.2754 7.36769 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 11.3043 15.7178 10.2754 7.36769 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 11.3043 9.85543 10.2754 7.36769 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 10.4538 10.4306 5.59227 5.75014 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 10.4538 7.96533 5.59227 5.75014 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 10.4538 12.9811 5.59227 5.75014 numMergedOcc 0
33 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 13.2184 17.8616 5.59227 5.75014 numMergedOcc 0
34 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 13.2184 10.4306 5.59227 5.75014 numMergedOcc 0
35 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 13.2184 12.9811 5.59227 5.75014 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 13.2184 8.43533 5.59227 5.75014 numMergedOcc 0
37 mol 125 unq 0 iso 0 dist 8.62381 7.73435 7.43922 9.20086 12.7356 6.11502 9.3778 11.0769 4.38093 6.33431 numMergedOcc 0
38 mol 125 unq 1 iso 0 dist 8.62381 9.3778 11.0769 9.20086 12.7356 6.33431 7.73435 7.43922 4.38093 6.11502 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 4.55551 6.28565 9.73158 4.97175 7.29399 5.41583 7.59327 numMergedOcc 0
40 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 9.36851 10.7293 5.41583 9.73158 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.81563 13.0658 8.21184 8.61587 12.4274 6.12113 5.9976 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 8.34702 7.30357 10.4977 5.52796 12.7005 5.41575 8.61587 12.4274 6.12113 6.86566 numMergedOcc 0
43 mol 156 unq 2 iso 0 dist 8.34702 8.61587 12.4274 5.81563 13.0658 5.9976 7.30357 10.4977 6.12113 8.21184 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 8.34702 8.61587 12.4274 5.52796 12.7005 6.86566 7.30357 10.4977 6.12113 5.41575 numMergedOcc 0
45 mol 156 unq 4 iso 0 dist 9.06726 7.30357 12.3086 5.81563 11.5017 8.21184 8.61587 10.9151 6.12113 5.9976 numMergedOcc 0
46 mol 156 unq 5 iso 0 dist 9.06726 7.30357 12.3086 5.52796 13.258 5.41575 8.61587 10.9151 6.12113 6.86566 numMergedOcc 0
47 mol 156 unq 6 iso 0 dist 9.06726 8.61587 10.9151 5.81563 11.5017 5.9976 7.30357 12.3086 6.12113 8.21184 numMergedOcc 0
48 mol 156 unq 7 iso 0 dist 9.06726 8.61587 10.9151 5.52796 13.258 6.86566 7.30357 12.3086 6.12113 5.41575 numMergedOcc 0
49 mol 156 unq 8 iso 0 dist 8.33171 7.30357 7.79535 5.81563 10.0063 8.21184 8.61587 6.98125 6.12113 5.9976 numMergedOcc 0
50 mol 156 unq 9 iso 0 dist 8.33171 7.30357 7.79535 5.52796 10.5287 5.41575 8.61587 6.98125 6.12113 6.86566 numMergedOcc 0
51 mol 156 unq 10 iso 0 dist 8.33171 8.61587 6.98125 5.81563 10.0063 5.9976 7.30357 7.79535 6.12113 8.21184 numMergedOcc 0
52 mol 156 unq 11 iso 0 dist 8.33171 8.61587 6.98125 5.52796 10.5287 6.86566 7.30357 7.79535 6.12113 5.41575 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 8.04639 10.6908 8.86197 12.8648 14.4891 11.5564 5.94379 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.59025 8.04639 9.87773 8.86197 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 6.46704 4.43096 9.87773 7.32087 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 12.8648 7.16549 11.5564 5.94379 numMergedOcc 0
57 mol 181 unq 4 iso 0 dist 5.98885 7.99195 6.6251 5.77299 10.6908 8.86197 9.85106 14.4891 11.5564 5.94379 numMergedOcc 0
58 mol 181 unq 5 iso 0 dist 9.09537 7.99195 10.09 5.77299 11.3325 8.86197 9.85106 10.2585 11.5564 5.94379 numMergedOcc 0
59 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 12.717 12.0486 6.60053 17.9671 17.6497 9.52218 8.26288 numMergedOcc 0
60 mol 192 unq 1 iso 0 dist 7.00794 8.77999 11.7523 12.717 16.9245 6.60053 17.9671 21.088 9.52218 8.26288 numMergedOcc 0
61 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 13.7227 12.5452 16.4381 9.78181 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 14.1515 16.3619 11.6106 9.16942 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 14.1515 19.3878 11.6106 9.16942 numMergedOcc 0
