0 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 19.4709 18.1148 9.93542 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.57077 9.62394 9.5997 19.4709 18.1148 9.93542 16.147 14.519 7.35972 5.43306 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 10.7734 13.8584 7.98326 9.62262 10.604 7.46578 8.00765 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 4.61088 5.96346 6.86684 9.62262 10.604 7.46578 10.7734 13.8584 7.98326 8.00765 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 12.2662 12.2059 5.95834 10.3279 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 4.32034 7.33768 8.00171 10.3279 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 8.67951 9.01567 4.2121 7.88693 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 4.32034 7.33768 8.00171 7.88693 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 8.52463 7.29868 6.72323 10.2653 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 4.32034 7.33768 8.00171 10.2653 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 8.67951 9.01567 4.2121 4.15946 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 12.2662 12.2059 5.95834 4.15946 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 8.52463 7.29868 6.72323 9.92026 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 12.2662 12.2059 5.95834 9.92026 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 8.52463 7.29868 6.72323 6.16544 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 8.67951 9.01567 4.2121 6.16544 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 12.2662 17.592 5.95834 10.3279 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 4.32034 12.9284 8.00171 10.3279 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 8.67951 13.4393 4.2121 7.88693 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 4.32034 12.9284 8.00171 7.88693 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 8.52463 8.60554 6.72323 10.2653 numMergedOcc 0
21 mol 24 unq 5 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 4.32034 12.9284 8.00171 10.2653 numMergedOcc 0
22 mol 24 unq 4 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 8.67951 13.4393 4.2121 4.15946 numMergedOcc 0
23 mol 24 unq 4 iso 1 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 12.2662 17.592 5.95834 4.15946 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 8.52463 8.60554 6.72323 9.92026 numMergedOcc 0
25 mol 24 unq 5 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 12.2662 17.592 5.95834 9.92026 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 8.52463 8.60554 6.72323 6.16544 numMergedOcc 0
27 mol 24 unq 5 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 8.67951 13.4393 4.2121 6.16544 numMergedOcc 0
28 mol 24 unq 6 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 4.50066 9.83002 4.2121 4.15946 numMergedOcc 0
29 mol 24 unq 6 iso 1 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 6.56748 11.3566 5.95834 4.15946 numMergedOcc 0
30 mol 24 unq 7 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 11.9112 16.8439 8.00171 10.3279 numMergedOcc 0
31 mol 24 unq 7 iso 1 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 6.56748 11.3566 5.95834 10.3279 numMergedOcc 0
32 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 5.11617 8.4051 6.72323 9.92026 numMergedOcc 0
33 mol 24 unq 8 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 6.56748 11.3566 5.95834 9.92026 numMergedOcc 0
34 mol 24 unq 7 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 11.9112 16.8439 8.00171 7.88693 numMergedOcc 0
35 mol 24 unq 7 iso 1 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 4.50066 9.83002 4.2121 7.88693 numMergedOcc 0
36 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 5.11617 8.4051 6.72323 6.16544 numMergedOcc 0
37 mol 24 unq 8 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 4.50066 9.83002 4.2121 6.16544 numMergedOcc 0
38 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 5.11617 8.4051 6.72323 10.2653 numMergedOcc 0
39 mol 24 unq 8 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 11.9112 16.8439 8.00171 10.2653 numMergedOcc 0
40 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 13.9331 9.01548 8.88938 12.6805 numMergedOcc 0
41 mol 25 unq 0 iso 1 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 7.33728 7.45383 6.25843 12.6805 numMergedOcc 0
42 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 10.5328 13.8469 8.88938 12.6805 numMergedOcc 0
43 mol 25 unq 1 iso 1 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 9.34396 6.16347 6.25843 12.6805 numMergedOcc 0
44 mol 25 unq 2 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 10.4337 13.8469 8.88938 12.6805 numMergedOcc 0
45 mol 25 unq 2 iso 1 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 10.8498 6.16347 6.25843 12.6805 numMergedOcc 0
46 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 7.94178 11.3043 7.36769 4.4057 6.65501 6.88901 10.2754 numMergedOcc 0
47 mol 98 unq 0 iso 1 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 7.94178 11.3043 7.36769 10.2754 numMergedOcc 0
48 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 9.85543 11.3043 7.36769 9.67482 6.65501 6.88901 10.2754 numMergedOcc 0
49 mol 98 unq 1 iso 1 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 9.85543 11.3043 7.36769 10.2754 numMergedOcc 0
50 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 4.86592 10.8527 5.75014 5.59227 numMergedOcc 0
51 mol 100 unq 0 iso 1 dist 8.87449 7.80975 7.97897 4.86592 10.8527 5.75014 5.42531 10.9242 9.5057 5.59227 numMergedOcc 0
52 mol 100 unq 1 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 7.96533 10.4538 5.75014 5.59227 numMergedOcc 0
53 mol 100 unq 1 iso 1 dist 7.17106 7.10378 10.6848 7.96533 10.4538 5.75014 8.4128 7.01812 9.5057 5.59227 numMergedOcc 0
54 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 10.7293 16.0242 9.73158 7.29399 13.4182 7.59327 5.41583 numMergedOcc 0
55 mol 129 unq 0 iso 1 dist 9.61051 6.28565 6.30169 7.29399 13.4182 7.59327 10.7293 16.0242 9.73158 5.41583 numMergedOcc 0
56 mol 129 unq 1 iso 0 dist 5.83384 6.28565 4.55551 10.7293 9.36851 9.73158 7.29399 4.97175 7.59327 5.41583 numMergedOcc 0
57 mol 129 unq 1 iso 1 dist 5.83384 6.28565 4.55551 7.29399 4.97175 7.59327 10.7293 9.36851 9.73158 5.41583 numMergedOcc 0
58 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.81563 13.0658 8.21184 5.52796 12.7005 5.41575 4.40883 numMergedOcc 0
59 mol 156 unq 0 iso 1 dist 8.34702 7.30357 10.4977 5.52796 12.7005 5.41575 5.81563 13.0658 8.21184 4.40883 numMergedOcc 0
60 mol 156 unq 1 iso 0 dist 8.34702 8.61587 12.4274 5.81563 13.0658 5.9976 5.52796 12.7005 6.86566 4.40883 numMergedOcc 0
61 mol 156 unq 1 iso 1 dist 8.34702 8.61587 12.4274 5.52796 12.7005 6.86566 5.81563 13.0658 5.9976 4.40883 numMergedOcc 0
62 mol 156 unq 2 iso 0 dist 9.06726 7.30357 12.3086 5.81563 11.5017 8.21184 5.52796 13.258 5.41575 4.40883 numMergedOcc 0
63 mol 156 unq 2 iso 1 dist 9.06726 7.30357 12.3086 5.52796 13.258 5.41575 5.81563 11.5017 8.21184 4.40883 numMergedOcc 0
64 mol 156 unq 3 iso 0 dist 9.06726 8.61587 10.9151 5.81563 11.5017 5.9976 5.52796 13.258 6.86566 4.40883 numMergedOcc 0
65 mol 156 unq 3 iso 1 dist 9.06726 8.61587 10.9151 5.52796 13.258 6.86566 5.81563 11.5017 5.9976 4.40883 numMergedOcc 0
66 mol 156 unq 4 iso 0 dist 8.33171 7.30357 7.79535 5.81563 10.0063 8.21184 5.52796 10.5287 5.41575 4.40883 numMergedOcc 0
67 mol 156 unq 4 iso 1 dist 8.33171 7.30357 7.79535 5.52796 10.5287 5.41575 5.81563 10.0063 8.21184 4.40883 numMergedOcc 0
68 mol 156 unq 5 iso 0 dist 8.33171 8.61587 6.98125 5.81563 10.0063 5.9976 5.52796 10.5287 6.86566 4.40883 numMergedOcc 0
69 mol 156 unq 5 iso 1 dist 8.33171 8.61587 6.98125 5.52796 10.5287 6.86566 5.81563 10.0063 5.9976 4.40883 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 4.43096 12.4878 7.32087 8.04639 10.6908 8.86197 9.87773 numMergedOcc 0
71 mol 181 unq 0 iso 1 dist 9.1374 6.2479 6.6251 8.04639 10.6908 8.86197 4.43096 12.4878 7.32087 9.87773 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 7.16549 12.8648 5.94379 11.5564 numMergedOcc 0
73 mol 181 unq 1 iso 1 dist 8.03334 6.59025 8.04639 7.16549 12.8648 5.94379 7.81713 6.2479 8.86197 11.5564 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 8.04639 6.59025 8.86197 9.87773 numMergedOcc 0
75 mol 181 unq 2 iso 1 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 4.43096 6.46704 7.32087 9.87773 numMergedOcc 0
76 mol 181 unq 3 iso 0 dist 5.98885 7.99195 6.6251 12.2164 12.4878 7.32087 5.77299 10.6908 8.86197 9.87773 numMergedOcc 0
77 mol 181 unq 3 iso 1 dist 5.98885 7.99195 6.6251 5.77299 10.6908 8.86197 12.2164 12.4878 7.32087 9.87773 numMergedOcc 0
78 mol 181 unq 4 iso 0 dist 9.09537 7.99195 10.09 12.2164 16.4314 7.32087 5.77299 11.3325 8.86197 9.87773 numMergedOcc 0
79 mol 181 unq 4 iso 1 dist 9.09537 7.99195 10.09 5.77299 11.3325 8.86197 12.2164 16.4314 7.32087 9.87773 numMergedOcc 0
80 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 12.717 12.0486 6.60053 14.8459 12.708 9.36796 4.20321 numMergedOcc 0
81 mol 192 unq 0 iso 1 dist 5.59424 8.77999 8.49529 14.8459 12.708 9.36796 12.717 12.0486 6.60053 4.20321 numMergedOcc 0
82 mol 192 unq 1 iso 0 dist 7.00794 8.77999 11.7523 12.717 16.9245 6.60053 14.8459 18.1003 9.36796 4.20321 numMergedOcc 0
83 mol 192 unq 1 iso 1 dist 7.00794 8.77999 11.7523 14.8459 18.1003 9.36796 12.717 16.9245 6.60053 4.20321 numMergedOcc 0
84 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 12.5452 13.7227 9.78181 8.80479 9.05071 9.8664 16.4381 numMergedOcc 0
85 mol 232 unq 0 iso 1 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 12.5452 13.7227 9.78181 16.4381 numMergedOcc 0
86 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 16.3619 14.1515 9.16942 11.6106 numMergedOcc 0
87 mol 274 unq 0 iso 1 dist 7.56915 8.52587 5.29529 16.3619 14.1515 9.16942 6.20558 9.85289 6.88827 11.6106 numMergedOcc 0
