0 mol 11 unq 0 iso 0 dist 6.35398 10.9183 7.98326 9.99434 7.90478 8.05578 15.1065 9.74251 6.859 12.1329 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.41441 12.2662 5.95834 4.32034 8.00171 10.3279 17.6792 12.5545 9.73647 17.8878 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.41441 12.2662 5.95834 4.32034 8.00171 10.3279 12.5088 4.08755 7.26334 11.9029 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.41441 12.2662 5.95834 4.32034 8.00171 10.3279 15.4457 6.86136 5.78532 12.7215 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.41441 12.2662 5.95834 8.67951 4.2121 4.15946 17.6792 12.5545 9.73647 10.1229 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.41441 12.2662 5.95834 8.67951 4.2121 4.15946 12.5088 4.08755 7.26334 6.19899 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.41441 12.2662 5.95834 8.67951 4.2121 4.15946 15.4457 6.86136 5.78532 8.49709 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.41441 12.2662 5.95834 8.52463 6.72323 9.92026 17.6792 12.5545 9.73647 11.3231 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.41441 12.2662 5.95834 8.52463 6.72323 9.92026 12.5088 4.08755 7.26334 6.61696 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 9.41441 12.2662 5.95834 8.52463 6.72323 9.92026 15.4457 6.86136 5.78532 12.9064 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 9.41441 8.67951 4.2121 4.32034 8.00171 7.88693 12.5088 4.08755 6.19899 11.9029 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 9.41441 8.67951 4.2121 4.32034 8.00171 7.88693 15.4457 6.86136 8.49709 12.7215 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 9.41441 8.67951 4.2121 12.2662 5.95834 4.15946 12.5088 4.08755 6.19899 7.26334 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 9.41441 8.67951 4.2121 12.2662 5.95834 4.15946 15.4457 6.86136 8.49709 5.78532 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 9.41441 8.67951 4.2121 8.52463 6.72323 6.16544 12.5088 4.08755 6.19899 6.61696 numMergedOcc 0
15 mol 24 unq 14 iso 0 dist 9.41441 8.67951 4.2121 8.52463 6.72323 6.16544 15.4457 6.86136 8.49709 12.9064 numMergedOcc 0
16 mol 24 unq 15 iso 0 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 12.5088 4.08755 6.61696 11.9029 numMergedOcc 0
17 mol 24 unq 16 iso 0 dist 9.41441 8.52463 6.72323 4.32034 8.00171 10.2653 7.95042 10.0453 5.80953 10.8435 numMergedOcc 0
18 mol 24 unq 17 iso 0 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 12.5088 4.08755 6.61696 7.26334 numMergedOcc 0
19 mol 24 unq 18 iso 0 dist 9.41441 8.52463 6.72323 12.2662 5.95834 9.92026 7.95042 10.0453 5.80953 14.7426 numMergedOcc 0
20 mol 24 unq 19 iso 0 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 12.5088 4.08755 6.61696 6.19899 numMergedOcc 0
21 mol 24 unq 20 iso 0 dist 9.41441 8.52463 6.72323 8.67951 4.2121 6.16544 7.95042 10.0453 5.80953 10.8068 numMergedOcc 0
22 mol 24 unq 21 iso 0 dist 6.73939 6.56748 5.95834 4.50066 4.2121 4.15946 6.6219 12.5545 9.73647 10.1229 numMergedOcc 0
23 mol 24 unq 22 iso 0 dist 6.73939 6.56748 5.95834 4.50066 4.2121 4.15946 5.68215 4.08755 7.26334 6.19899 numMergedOcc 0
24 mol 24 unq 23 iso 0 dist 6.73939 6.56748 5.95834 4.50066 4.2121 4.15946 10.4441 6.86136 5.78532 8.49709 numMergedOcc 0
25 mol 24 unq 24 iso 0 dist 6.73939 6.56748 5.95834 11.9112 8.00171 10.3279 6.6219 12.5545 9.73647 17.8878 numMergedOcc 0
26 mol 24 unq 25 iso 0 dist 6.73939 6.56748 5.95834 11.9112 8.00171 10.3279 5.68215 4.08755 7.26334 11.9029 numMergedOcc 0
27 mol 24 unq 26 iso 0 dist 6.73939 6.56748 5.95834 11.9112 8.00171 10.3279 10.4441 6.86136 5.78532 12.7215 numMergedOcc 0
28 mol 24 unq 27 iso 0 dist 6.73939 6.56748 5.95834 5.11617 6.72323 9.92026 6.6219 12.5545 9.73647 11.3231 numMergedOcc 0
29 mol 24 unq 28 iso 0 dist 6.73939 6.56748 5.95834 5.11617 6.72323 9.92026 5.68215 4.08755 7.26334 6.61696 numMergedOcc 0
30 mol 24 unq 29 iso 0 dist 6.73939 6.56748 5.95834 5.11617 6.72323 9.92026 10.4441 6.86136 5.78532 12.9064 numMergedOcc 0
31 mol 24 unq 30 iso 0 dist 6.73939 4.50066 4.2121 6.56748 5.95834 4.15946 5.68215 4.08755 6.19899 7.26334 numMergedOcc 0
32 mol 24 unq 31 iso 0 dist 6.73939 4.50066 4.2121 6.56748 5.95834 4.15946 10.4441 6.86136 8.49709 5.78532 numMergedOcc 0
33 mol 24 unq 32 iso 0 dist 6.73939 4.50066 4.2121 11.9112 8.00171 7.88693 5.68215 4.08755 6.19899 11.9029 numMergedOcc 0
34 mol 24 unq 33 iso 0 dist 6.73939 4.50066 4.2121 11.9112 8.00171 7.88693 10.4441 6.86136 8.49709 12.7215 numMergedOcc 0
35 mol 24 unq 34 iso 0 dist 6.73939 4.50066 4.2121 5.11617 6.72323 6.16544 5.68215 4.08755 6.19899 6.61696 numMergedOcc 0
36 mol 24 unq 35 iso 0 dist 6.73939 4.50066 4.2121 5.11617 6.72323 6.16544 10.4441 6.86136 8.49709 12.9064 numMergedOcc 0
37 mol 24 unq 36 iso 0 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 5.68215 4.08755 6.61696 7.26334 numMergedOcc 0
38 mol 24 unq 37 iso 0 dist 6.73939 5.11617 6.72323 6.56748 5.95834 9.92026 10.9113 10.0453 5.80953 14.7426 numMergedOcc 0
39 mol 24 unq 38 iso 0 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 5.68215 4.08755 6.61696 6.19899 numMergedOcc 0
40 mol 24 unq 39 iso 0 dist 6.73939 5.11617 6.72323 4.50066 4.2121 6.16544 10.9113 10.0453 5.80953 10.8068 numMergedOcc 0
41 mol 24 unq 40 iso 0 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 5.68215 4.08755 6.61696 11.9029 numMergedOcc 0
42 mol 24 unq 41 iso 0 dist 6.73939 5.11617 6.72323 11.9112 8.00171 10.2653 10.9113 10.0453 5.80953 10.8435 numMergedOcc 0
43 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 13.9331 8.88938 12.6805 7.05196 3.904 5.20109 12.506 numMergedOcc 0
44 mol 25 unq 1 iso 0 dist 8.50222 9.34396 6.25843 10.5328 8.88938 12.6805 10.9703 3.904 5.20109 12.506 numMergedOcc 0
45 mol 25 unq 2 iso 0 dist 7.55264 10.8498 6.25843 10.4337 8.88938 12.6805 10.3338 3.904 5.20109 12.506 numMergedOcc 0
46 mol 98 unq 0 iso 0 dist 6.7117 7.94178 7.36769 4.4057 6.88901 10.2754 5.10496 3.94967 9.84703 4.62494 numMergedOcc 0
47 mol 98 unq 1 iso 0 dist 6.7117 7.94178 7.36769 4.4057 6.88901 10.2754 9.81956 3.92737 9.25444 8.46823 numMergedOcc 0
48 mol 98 unq 2 iso 0 dist 6.7117 4.4057 6.88901 7.94178 7.36769 10.2754 9.81956 3.92737 8.46823 9.25444 numMergedOcc 0
49 mol 98 unq 3 iso 0 dist 6.7117 4.4057 6.88901 7.94178 7.36769 10.2754 5.10496 3.94967 4.62494 9.84703 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 4.47349 9.85543 7.36769 9.67482 6.88901 10.2754 5.2571 3.94967 9.84703 4.62494 numMergedOcc 0
51 mol 98 unq 5 iso 0 dist 4.47349 9.85543 7.36769 9.67482 6.88901 10.2754 7.54889 3.92737 9.25444 8.46823 numMergedOcc 0
52 mol 98 unq 6 iso 0 dist 4.47349 9.67482 6.88901 9.85543 7.36769 10.2754 7.54889 3.92737 8.46823 9.25444 numMergedOcc 0
53 mol 98 unq 7 iso 0 dist 4.47349 9.67482 6.88901 9.85543 7.36769 10.2754 5.2571 3.94967 4.62494 9.84703 numMergedOcc 0
54 mol 98 unq 8 iso 0 dist 5.65185 7.28361 7.36769 12.0974 6.88901 10.2754 8.7497 3.94967 9.84703 4.62494 numMergedOcc 0
55 mol 98 unq 9 iso 0 dist 5.65185 7.28361 7.36769 12.0974 6.88901 10.2754 7.78931 3.92737 9.25444 8.46823 numMergedOcc 0
56 mol 98 unq 10 iso 0 dist 5.65185 12.0974 6.88901 7.28361 7.36769 10.2754 7.78931 3.92737 8.46823 9.25444 numMergedOcc 0
57 mol 98 unq 11 iso 0 dist 5.65185 12.0974 6.88901 7.28361 7.36769 10.2754 8.7497 3.94967 4.62494 9.84703 numMergedOcc 0
58 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 4.86592 5.75014 5.59227 9.21662 12.48 6.59691 11.1692 numMergedOcc 0
59 mol 100 unq 1 iso 0 dist 7.10378 8.4128 9.5057 7.96533 5.75014 5.59227 10.5432 12.48 6.59691 11.1692 numMergedOcc 0
60 mol 129 unq 0 iso 0 dist 6.28565 7.29399 7.59327 10.7293 9.73158 5.41583 11.8464 8.3321 9.35533 12.8649 numMergedOcc 0
61 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 9.74444 9.10042 13.0212 11.5913 10.0208 5.92302 17.2659 numMergedOcc 0
62 mol 141 unq 1 iso 0 dist 9.97343 10.1432 6.83404 6.91919 9.75059 11.0187 11.5913 10.0208 5.92302 15.2695 numMergedOcc 0
63 mol 141 unq 2 iso 0 dist 9.70413 7.27731 6.83404 10.3716 9.10042 13.0212 13.0178 10.0208 5.92302 17.2659 numMergedOcc 0
64 mol 141 unq 3 iso 0 dist 9.70413 7.27731 6.83404 7.87881 9.75059 11.0187 13.0178 10.0208 5.92302 15.2695 numMergedOcc 0
65 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 19.4298 10.0655 9.34834 13.0134 numMergedOcc 0
66 mol 171 unq 1 iso 0 dist 9.61462 11.5561 5.25109 10.844 8.21618 3.98338 13.5 4.88147 5.74846 9.37868 numMergedOcc 0
67 mol 171 unq 2 iso 0 dist 6.64834 4.78075 5.25109 6.45673 7.22518 7.9115 11.8105 11.4851 7.47964 13.7795 numMergedOcc 0
68 mol 171 unq 3 iso 0 dist 5.93786 7.9651 5.25109 5.48551 7.22518 7.9115 15.3457 11.4851 7.47964 13.7795 numMergedOcc 0
69 mol 171 unq 4 iso 0 dist 8.24693 12.6853 5.25109 8.05069 7.22518 7.9115 18.9149 11.4851 7.47964 13.7795 numMergedOcc 0
70 mol 171 unq 5 iso 0 dist 7.36698 5.90026 5.25109 11.2785 7.22518 7.9115 11.8153 11.4851 7.47964 13.7795 numMergedOcc 0
71 mol 171 unq 6 iso 0 dist 8.1344 7.9651 8.21618 5.48551 7.58499 7.9115 15.3457 12.9811 7.47964 13.7795 numMergedOcc 0
72 mol 171 unq 7 iso 0 dist 6.71356 12.6853 8.21618 8.05069 7.58499 7.9115 18.9149 12.9811 7.47964 13.7795 numMergedOcc 0
73 mol 181 unq 0 iso 0 dist 6.2479 4.43096 7.32087 8.04639 8.86197 9.87773 10.0802 5.3698 9.06571 9.88897 numMergedOcc 0
74 mol 181 unq 1 iso 0 dist 6.2479 4.43096 7.32087 8.04639 8.86197 9.87773 9.76212 6.39406 7.35884 11.6588 numMergedOcc 0
75 mol 181 unq 2 iso 0 dist 6.2479 8.04639 8.86197 4.43096 7.32087 9.87773 10.0802 5.3698 9.88897 9.06571 numMergedOcc 0
76 mol 181 unq 3 iso 0 dist 6.22122 6.06566 7.32087 13.0409 8.86197 9.87773 10.0333 5.3698 9.06571 9.88897 numMergedOcc 0
77 mol 181 unq 4 iso 0 dist 6.22122 6.06566 7.32087 13.0409 8.86197 9.87773 8.59874 6.39406 7.35884 11.6588 numMergedOcc 0
78 mol 181 unq 5 iso 0 dist 6.22122 13.0409 8.86197 6.06566 7.32087 9.87773 10.0333 5.3698 9.88897 9.06571 numMergedOcc 0
79 mol 181 unq 6 iso 0 dist 7.99195 12.2164 7.32087 5.77299 8.86197 9.87773 10.9279 5.3698 9.06571 9.88897 numMergedOcc 0
80 mol 181 unq 7 iso 0 dist 7.99195 12.2164 7.32087 5.77299 8.86197 9.87773 13.2783 6.39406 7.35884 11.6588 numMergedOcc 0
81 mol 181 unq 8 iso 0 dist 7.99195 5.77299 8.86197 12.2164 7.32087 9.87773 10.9279 5.3698 9.88897 9.06571 numMergedOcc 0
82 mol 192 unq 0 iso 0 dist 8.77999 12.717 6.60053 14.8459 9.36796 4.20321 11.9951 5.80651 9.40971 9.8428 numMergedOcc 0
83 mol 192 unq 1 iso 0 dist 8.77999 14.8459 9.36796 12.717 6.60053 4.20321 11.9951 5.80651 9.8428 9.40971 numMergedOcc 0
84 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 6.2188 9.78181 16.4381 11.4909 4.68548 6.59036 13.6374 numMergedOcc 0
85 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 12.5452 9.78181 16.4381 10.3021 4.68548 6.59036 13.6374 numMergedOcc 0
