0 mol 9 unq 0 iso 0 dist 9.62394 16.147 7.35972 19.4709 9.93542 5.43306 15.1483 8.50424 7.32257 11.0167 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.62394 16.147 7.35972 19.4709 9.93542 5.43306 14.896 6.02809 6.55811 7.36018 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.62394 16.147 7.35972 19.4709 9.93542 5.43306 13.3648 4.98827 8.64915 8.17347 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.62394 19.4709 9.93542 16.147 7.35972 5.43306 14.896 6.02809 7.36018 6.55811 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 9.62394 19.4709 9.93542 16.147 7.35972 5.43306 13.3648 4.98827 8.17347 8.64915 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 9.62262 7.46578 8.00765 14.7815 10.9183 6.35398 13.5138 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 6.35398 10.9183 7.98326 9.99434 7.90478 8.05578 14.7815 10.7734 5.96346 13.3734 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 12.2662 5.95834 10.3279 6.86014 6.66749 7.33768 12.2059 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 8.67951 4.2121 7.88693 6.86014 6.66749 7.33768 9.01567 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 9.41441 4.32034 8.00171 8.52463 6.72323 10.2653 6.86014 6.66749 7.33768 7.29868 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.41441 8.67951 4.2121 4.32034 8.00171 7.88693 6.86014 6.66749 9.01567 7.33768 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 9.41441 8.67951 4.2121 12.2662 5.95834 4.15946 6.86014 6.66749 9.01567 12.2059 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 9.41441 8.67951 4.2121 8.52463 6.72323 6.16544 6.86014 6.66749 9.01567 7.29868 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 15.5324 12.176 8.4051 16.8439 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 6.86014 6.66749 7.29868 7.33768 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 8.86116 14.012 8.60554 12.9284 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 15.5324 12.176 8.4051 11.3566 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 6.86014 6.66749 7.29868 12.2059 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 8.86116 14.012 8.60554 17.592 numMergedOcc 0
19 mol 24 unq 12 iso 0 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 15.5324 12.176 8.4051 9.83002 numMergedOcc 0
20 mol 24 unq 13 iso 0 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 6.86014 6.66749 7.29868 9.01567 numMergedOcc 0
21 mol 24 unq 14 iso 0 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 8.86116 14.012 8.60554 13.4393 numMergedOcc 0
22 mol 24 unq 15 iso 0 dist 6.73939 4.50066 4.2121 6.56748 5.95834 4.15946 11.0194 6.66749 9.01567 12.2059 numMergedOcc 0
23 mol 24 unq 16 iso 0 dist 6.73939 4.50066 4.2121 11.9112 8.00171 7.88693 11.0194 6.66749 9.01567 7.33768 numMergedOcc 0
24 mol 24 unq 17 iso 0 dist 6.73939 4.50066 4.2121 5.11617 6.72323 6.16544 11.0194 6.66749 9.01567 7.29868 numMergedOcc 0
25 mol 24 unq 18 iso 0 dist 6.73939 11.9112 8.00171 6.56748 5.95834 10.3279 11.0194 6.66749 7.33768 12.2059 numMergedOcc 0
26 mol 24 unq 19 iso 0 dist 6.73939 11.9112 8.00171 4.50066 4.2121 7.88693 11.0194 6.66749 7.33768 9.01567 numMergedOcc 0
27 mol 24 unq 20 iso 0 dist 6.73939 11.9112 8.00171 5.11617 6.72323 10.2653 11.0194 6.66749 7.33768 7.29868 numMergedOcc 0
28 mol 24 unq 21 iso 0 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 5.54419 12.176 8.4051 11.3566 numMergedOcc 0
29 mol 24 unq 22 iso 0 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 11.0194 6.66749 7.29868 12.2059 numMergedOcc 0
30 mol 24 unq 23 iso 0 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 13.2433 14.012 8.60554 17.592 numMergedOcc 0
31 mol 24 unq 24 iso 0 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 5.54419 12.176 8.4051 9.83002 numMergedOcc 0
32 mol 24 unq 25 iso 0 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 11.0194 6.66749 7.29868 9.01567 numMergedOcc 0
33 mol 24 unq 26 iso 0 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 13.2433 14.012 8.60554 13.4393 numMergedOcc 0
34 mol 24 unq 27 iso 0 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 5.54419 12.176 8.4051 16.8439 numMergedOcc 0
35 mol 24 unq 28 iso 0 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 11.0194 6.66749 7.29868 7.33768 numMergedOcc 0
36 mol 24 unq 29 iso 0 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 13.2433 14.012 8.60554 12.9284 numMergedOcc 0
37 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 13.9331 8.88938 12.6805 11.9561 6.08585 6.16347 13.8469 numMergedOcc 0
38 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 13.9331 8.88938 12.6805 5.04899 5.77929 7.45383 9.01548 numMergedOcc 0
39 mol 25 unq 2 iso 0 dist 8.87757 13.9331 8.88938 7.33728 6.25843 12.6805 5.04899 5.77929 9.01548 7.45383 numMergedOcc 0
40 mol 25 unq 3 iso 0 dist 8.50222 9.34396 6.25843 10.5328 8.88938 12.6805 7.57578 6.08585 6.16347 13.8469 numMergedOcc 0
41 mol 25 unq 4 iso 0 dist 8.50222 9.34396 6.25843 10.5328 8.88938 12.6805 12.7009 5.77929 7.45383 9.01548 numMergedOcc 0
42 mol 25 unq 5 iso 0 dist 8.50222 10.5328 8.88938 9.34396 6.25843 12.6805 12.7009 5.77929 9.01548 7.45383 numMergedOcc 0
43 mol 25 unq 6 iso 0 dist 7.55264 10.8498 6.25843 10.4337 8.88938 12.6805 7.17969 6.08585 6.16347 13.8469 numMergedOcc 0
44 mol 25 unq 7 iso 0 dist 7.55264 10.8498 6.25843 10.4337 8.88938 12.6805 12.8117 5.77929 7.45383 9.01548 numMergedOcc 0
45 mol 25 unq 8 iso 0 dist 7.55264 10.4337 8.88938 10.8498 6.25843 12.6805 12.8117 5.77929 9.01548 7.45383 numMergedOcc 0
46 mol 98 unq 0 iso 0 dist 6.7117 4.4057 6.88901 7.94178 7.36769 10.2754 5.08437 7.06961 6.65501 11.3043 numMergedOcc 0
47 mol 98 unq 1 iso 0 dist 4.47349 9.67482 6.88901 9.85543 7.36769 10.2754 6.10456 7.06961 6.65501 11.3043 numMergedOcc 0
48 mol 98 unq 2 iso 0 dist 5.65185 12.0974 6.88901 7.28361 7.36769 10.2754 10.1136 7.06961 6.65501 11.3043 numMergedOcc 0
49 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 4.86592 5.75014 5.59227 10.1489 10.6848 7.01812 10.4538 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 7.80975 5.42531 9.5057 4.86592 5.75014 5.59227 13.2001 15.3454 8.30845 13.2184 numMergedOcc 0
51 mol 100 unq 2 iso 0 dist 7.10378 8.4128 9.5057 7.96533 5.75014 5.59227 7.17106 10.6848 7.01812 10.4538 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 7.10378 8.4128 9.5057 7.96533 5.75014 5.59227 10.5134 15.3454 8.30845 13.2184 numMergedOcc 0
53 mol 129 unq 0 iso 0 dist 6.28565 10.7293 9.73158 7.29399 7.59327 5.41583 5.83384 4.55551 9.36851 4.97175 numMergedOcc 0
54 mol 129 unq 1 iso 0 dist 6.28565 7.29399 7.59327 10.7293 9.73158 5.41583 5.83384 4.55551 4.97175 9.36851 numMergedOcc 0
55 mol 156 unq 0 iso 0 dist 8.73722 6.14767 5.41575 12.212 6.86566 6.12113 10.2717 5.52796 7.30357 8.61587 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 8.73722 12.212 6.86566 6.14767 5.41575 6.12113 10.2717 5.52796 8.61587 7.30357 numMergedOcc 0
57 mol 156 unq 2 iso 0 dist 7.30357 5.81563 8.21184 5.52796 5.41575 4.40883 11.6719 10.8404 9.00416 11.5086 numMergedOcc 0
58 mol 156 unq 3 iso 0 dist 7.30357 5.52796 5.41575 5.81563 8.21184 4.40883 10.2717 6.14767 8.73722 12.8116 numMergedOcc 0
59 mol 156 unq 4 iso 0 dist 8.61587 5.81563 5.9976 5.52796 6.86566 4.40883 11.6719 5.18356 9.00416 11.5086 numMergedOcc 0
60 mol 156 unq 5 iso 0 dist 8.61587 5.52796 6.86566 5.81563 5.9976 4.40883 10.2717 12.212 8.73722 12.8116 numMergedOcc 0
61 mol 156 unq 6 iso 0 dist 9.00416 10.8404 8.21184 5.18356 5.9976 6.12113 11.6719 5.81563 7.30357 8.61587 numMergedOcc 0
62 mol 156 unq 7 iso 0 dist 9.00416 5.18356 5.9976 10.8404 8.21184 6.12113 11.6719 5.81563 8.61587 7.30357 numMergedOcc 0
63 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 13.05 4.78075 6.64834 9.85653 numMergedOcc 0
64 mol 171 unq 1 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 14.9792 7.9651 5.93786 8.1344 numMergedOcc 0
65 mol 171 unq 2 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 16.2078 12.6853 8.24693 6.71356 numMergedOcc 0
66 mol 171 unq 3 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 15.4802 5.90026 7.36698 11.3469 numMergedOcc 0
67 mol 171 unq 4 iso 0 dist 9.61462 10.844 8.21618 11.5561 5.25109 3.98338 14.9792 7.9651 8.1344 5.93786 numMergedOcc 0
68 mol 171 unq 5 iso 0 dist 9.61462 10.844 8.21618 11.5561 5.25109 3.98338 16.2078 12.6853 6.71356 8.24693 numMergedOcc 0
69 mol 171 unq 6 iso 0 dist 6.64834 4.78075 5.25109 6.45673 7.22518 7.9115 13.05 11.5561 9.61462 11.1373 numMergedOcc 0
70 mol 171 unq 7 iso 0 dist 5.93786 7.9651 5.25109 5.48551 7.22518 7.9115 14.9792 11.5561 9.61462 11.1373 numMergedOcc 0
71 mol 171 unq 8 iso 0 dist 8.24693 12.6853 5.25109 8.05069 7.22518 7.9115 16.2078 11.5561 9.61462 11.1373 numMergedOcc 0
72 mol 171 unq 9 iso 0 dist 7.36698 5.90026 5.25109 11.2785 7.22518 7.9115 15.4802 11.5561 9.61462 11.1373 numMergedOcc 0
73 mol 171 unq 10 iso 0 dist 8.1344 7.9651 8.21618 5.48551 7.58499 7.9115 14.9792 10.844 9.61462 11.1373 numMergedOcc 0
74 mol 171 unq 11 iso 0 dist 6.71356 12.6853 8.21618 8.05069 7.58499 7.9115 16.2078 10.844 9.61462 11.1373 numMergedOcc 0
75 mol 181 unq 0 iso 0 dist 6.2479 4.43096 7.32087 8.04639 8.86197 9.87773 8.03334 7.81713 6.46704 6.59025 numMergedOcc 0
76 mol 181 unq 1 iso 0 dist 6.2479 8.04639 8.86197 4.43096 7.32087 9.87773 8.03334 7.81713 6.59025 6.46704 numMergedOcc 0
77 mol 181 unq 2 iso 0 dist 6.22122 6.06566 7.32087 13.0409 8.86197 9.87773 10.9639 7.81713 6.46704 6.59025 numMergedOcc 0
78 mol 181 unq 3 iso 0 dist 6.22122 13.0409 8.86197 6.06566 7.32087 9.87773 10.9639 7.81713 6.59025 6.46704 numMergedOcc 0
79 mol 181 unq 4 iso 0 dist 6.59025 7.81713 8.86197 7.16549 5.94379 11.5564 8.03334 8.04639 6.2479 12.8648 numMergedOcc 0
80 mol 181 unq 5 iso 0 dist 6.59025 7.81713 8.86197 7.16549 5.94379 11.5564 10.9639 13.0409 6.22122 16.6729 numMergedOcc 0
81 mol 181 unq 6 iso 0 dist 6.59025 7.81713 8.86197 7.16549 5.94379 11.5564 10.7062 5.77299 7.99195 9.85106 numMergedOcc 0
82 mol 181 unq 7 iso 0 dist 7.99195 12.2164 7.32087 5.77299 8.86197 9.87773 10.7062 7.81713 6.46704 6.59025 numMergedOcc 0
83 mol 181 unq 8 iso 0 dist 7.99195 5.77299 8.86197 12.2164 7.32087 9.87773 10.7062 7.81713 6.59025 6.46704 numMergedOcc 0
84 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 6.2188 9.78181 16.4381 10.5803 4.9377 9.05071 13.7227 numMergedOcc 0
85 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 12.5452 9.78181 16.4381 8.27212 4.9377 9.05071 13.7227 numMergedOcc 0
86 mol 274 unq 0 iso 0 dist 8.52587 6.20558 6.88827 16.3619 9.16942 11.6106 7.56915 5.29529 9.85289 14.1515 numMergedOcc 0
87 mol 274 unq 1 iso 0 dist 6.39866 6.16703 6.88827 5.64601 9.16942 11.6106 11.3168 5.29529 9.85289 14.1515 numMergedOcc 0
