0 mol 4 unq 0 iso 0 dist 8.24634 6.29581 7.35416 9.16617 10.6506 6.42755 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.16617 6.29581 6.42755 8.24634 10.6506 7.35416 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 8.50424 7.35972 11.0167 5.43306 9.93542 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.55811 6.02809 7.35972 7.36018 5.43306 9.93542 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.64915 4.98827 7.35972 8.17347 5.43306 9.93542 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 7.36018 6.02809 9.93542 6.55811 5.43306 7.35972 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.17347 4.98827 9.93542 8.64915 5.43306 7.35972 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 13.3734 8.05578 7.90478 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 5.96346 9.62262 7.46578 13.3734 8.05578 7.16561 numMergedOcc 0
9 mol 11 unq 2 iso 0 dist 6.35398 10.9183 7.98326 13.5138 8.00765 7.46578 numMergedOcc 0
10 mol 11 unq 3 iso 0 dist 6.35398 9.99434 7.90478 13.5138 8.00765 7.16561 numMergedOcc 0
11 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 12.3294 6.05053 4.74809 numMergedOcc 0
12 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 12.3294 6.05053 7.43882 numMergedOcc 0
13 mol 20 unq 2 iso 0 dist 7.51452 11.3821 5.80568 12.3294 6.05053 7.31198 numMergedOcc 0
14 mol 20 unq 3 iso 0 dist 6.09764 8.96335 4.74809 9.20198 6.05053 5.86181 numMergedOcc 0
15 mol 20 unq 4 iso 0 dist 6.09764 6.05944 7.43882 9.20198 6.05053 6.3253 numMergedOcc 0
16 mol 20 unq 5 iso 0 dist 6.09764 7.46656 7.31198 9.20198 6.05053 5.80568 numMergedOcc 0
17 mol 20 unq 6 iso 0 dist 9.20198 8.96335 5.86181 6.09764 6.05053 4.74809 numMergedOcc 0
18 mol 20 unq 7 iso 0 dist 9.20198 6.05944 6.3253 6.09764 6.05053 7.43882 numMergedOcc 0
19 mol 20 unq 8 iso 0 dist 9.20198 7.46656 5.80568 6.09764 6.05053 7.31198 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 7.33768 6.66749 8.00171 12.2059 10.3279 5.95834 numMergedOcc 0
21 mol 24 unq 1 iso 0 dist 7.33768 6.66749 8.00171 9.01567 7.88693 4.2121 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 7.33768 6.66749 8.00171 7.29868 10.2653 6.72323 numMergedOcc 0
23 mol 24 unq 3 iso 0 dist 9.01567 6.66749 4.2121 12.2059 4.15946 5.95834 numMergedOcc 0
24 mol 24 unq 4 iso 0 dist 9.01567 6.66749 4.2121 7.33768 7.88693 8.00171 numMergedOcc 0
25 mol 24 unq 5 iso 0 dist 9.01567 6.66749 4.2121 7.29868 6.16544 6.72323 numMergedOcc 0
26 mol 24 unq 6 iso 0 dist 8.4051 12.176 6.72323 11.3566 9.92026 5.95834 numMergedOcc 0
27 mol 24 unq 7 iso 0 dist 8.4051 12.176 6.72323 9.83002 6.16544 4.2121 numMergedOcc 0
28 mol 24 unq 8 iso 0 dist 8.4051 12.176 6.72323 16.8439 10.2653 8.00171 numMergedOcc 0
29 mol 24 unq 9 iso 0 dist 7.29868 6.66749 6.72323 12.2059 9.92026 5.95834 numMergedOcc 0
30 mol 24 unq 10 iso 0 dist 7.29868 6.66749 6.72323 9.01567 6.16544 4.2121 numMergedOcc 0
31 mol 24 unq 11 iso 0 dist 7.29868 6.66749 6.72323 7.33768 10.2653 8.00171 numMergedOcc 0
32 mol 24 unq 12 iso 0 dist 8.60554 14.012 6.72323 17.592 9.92026 5.95834 numMergedOcc 0
33 mol 24 unq 13 iso 0 dist 8.60554 14.012 6.72323 13.4393 6.16544 4.2121 numMergedOcc 0
34 mol 24 unq 14 iso 0 dist 8.60554 14.012 6.72323 12.9284 10.2653 8.00171 numMergedOcc 0
35 mol 25 unq 0 iso 0 dist 6.16347 6.08585 6.25843 13.8469 12.6805 8.88938 numMergedOcc 0
36 mol 25 unq 1 iso 0 dist 7.45383 5.77929 6.25843 9.01548 12.6805 8.88938 numMergedOcc 0
37 mol 25 unq 2 iso 0 dist 9.01548 5.77929 8.88938 7.45383 12.6805 6.25843 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 11.3767 5.74171 9.60622 numMergedOcc 0
39 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 11.3043 10.2754 7.36769 numMergedOcc 0
40 mol 100 unq 0 iso 0 dist 7.01812 10.6848 9.5057 10.4538 5.59227 5.75014 numMergedOcc 0
41 mol 100 unq 1 iso 0 dist 8.30845 15.3454 9.5057 13.2184 5.59227 5.75014 numMergedOcc 0
42 mol 125 unq 0 iso 0 dist 8.76789 6.40824 6.11502 9.08382 4.38093 6.33431 numMergedOcc 0
43 mol 125 unq 1 iso 0 dist 9.08382 6.40824 6.33431 8.76789 4.38093 6.11502 numMergedOcc 0
44 mol 125 unq 2 iso 0 dist 7.73435 9.20086 6.11502 9.3778 4.38093 6.33431 numMergedOcc 0
45 mol 125 unq 3 iso 0 dist 9.3778 9.20086 6.33431 7.73435 4.38093 6.11502 numMergedOcc 0
46 mol 125 unq 4 iso 0 dist 7.47069 9.44075 6.33431 11.1764 4.38093 6.11502 numMergedOcc 0
47 mol 129 unq 0 iso 0 dist 9.36851 4.55551 9.73158 4.97175 5.41583 7.59327 numMergedOcc 0
48 mol 129 unq 1 iso 0 dist 4.97175 4.55551 7.59327 9.36851 5.41583 9.73158 numMergedOcc 0
49 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 12.5586 6.33946 6.75376 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 8.10291 14.7684 9.83945 17.6845 12.8394 9.10042 numMergedOcc 0
51 mol 141 unq 2 iso 0 dist 9.97343 9.74444 9.10042 18.8624 12.8394 9.83945 numMergedOcc 0
52 mol 141 unq 3 iso 0 dist 9.97343 9.74444 9.10042 13.5519 6.59975 6.75376 numMergedOcc 0
53 mol 141 unq 4 iso 0 dist 9.70413 10.3716 9.10042 15.4264 12.8394 9.83945 numMergedOcc 0
54 mol 141 unq 5 iso 0 dist 9.70413 10.3716 9.10042 11.7346 6.59975 6.75376 numMergedOcc 0
55 mol 156 unq 0 iso 0 dist 8.73722 6.14767 5.41575 12.8116 4.40883 8.21184 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 8.73722 12.212 6.86566 12.8116 4.40883 5.9976 numMergedOcc 0
57 mol 156 unq 2 iso 0 dist 7.30357 5.81563 8.21184 8.61587 6.12113 5.9976 numMergedOcc 0
58 mol 156 unq 3 iso 0 dist 7.30357 5.52796 5.41575 8.61587 6.12113 6.86566 numMergedOcc 0
59 mol 156 unq 4 iso 0 dist 8.61587 5.81563 5.9976 7.30357 6.12113 8.21184 numMergedOcc 0
60 mol 156 unq 5 iso 0 dist 8.61587 5.52796 6.86566 7.30357 6.12113 5.41575 numMergedOcc 0
61 mol 156 unq 6 iso 0 dist 9.00416 10.8404 8.21184 11.5086 4.40883 5.41575 numMergedOcc 0
62 mol 156 unq 7 iso 0 dist 9.00416 5.18356 5.9976 11.5086 4.40883 6.86566 numMergedOcc 0
63 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 11.1373 7.9115 7.22518 numMergedOcc 0
64 mol 171 unq 1 iso 0 dist 9.61462 10.844 8.21618 11.1373 7.9115 7.58499 numMergedOcc 0
65 mol 171 unq 2 iso 0 dist 6.64834 6.45673 7.22518 9.85653 3.98338 7.58499 numMergedOcc 0
66 mol 171 unq 3 iso 0 dist 6.64834 4.78075 5.25109 9.85653 3.98338 8.21618 numMergedOcc 0
67 mol 171 unq 4 iso 0 dist 5.93786 5.48551 7.22518 8.1344 3.98338 7.58499 numMergedOcc 0
68 mol 171 unq 5 iso 0 dist 5.93786 7.9651 5.25109 8.1344 3.98338 8.21618 numMergedOcc 0
69 mol 171 unq 6 iso 0 dist 8.24693 8.05069 7.22518 6.71356 3.98338 7.58499 numMergedOcc 0
70 mol 171 unq 7 iso 0 dist 8.24693 12.6853 5.25109 6.71356 3.98338 8.21618 numMergedOcc 0
71 mol 171 unq 8 iso 0 dist 7.36698 11.2785 7.22518 11.3469 3.98338 7.58499 numMergedOcc 0
72 mol 171 unq 9 iso 0 dist 7.36698 5.90026 5.25109 11.3469 3.98338 8.21618 numMergedOcc 0
73 mol 171 unq 10 iso 0 dist 8.1344 5.48551 7.58499 5.93786 3.98338 7.22518 numMergedOcc 0
74 mol 171 unq 11 iso 0 dist 8.1344 7.9651 8.21618 5.93786 3.98338 5.25109 numMergedOcc 0
75 mol 171 unq 12 iso 0 dist 6.71356 8.05069 7.58499 8.24693 3.98338 7.22518 numMergedOcc 0
76 mol 171 unq 13 iso 0 dist 6.71356 12.6853 8.21618 8.24693 3.98338 5.25109 numMergedOcc 0
77 mol 181 unq 0 iso 0 dist 6.2479 8.04639 8.86197 12.8648 11.5564 5.94379 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 6.22122 13.0409 8.86197 16.6729 11.5564 5.94379 numMergedOcc 0
79 mol 181 unq 2 iso 0 dist 6.46704 7.81713 7.32087 6.59025 9.87773 8.86197 numMergedOcc 0
80 mol 181 unq 3 iso 0 dist 6.59025 7.81713 8.86197 6.46704 9.87773 7.32087 numMergedOcc 0
81 mol 181 unq 4 iso 0 dist 7.99195 5.77299 8.86197 9.85106 11.5564 5.94379 numMergedOcc 0
82 mol 192 unq 0 iso 0 dist 8.77999 12.717 6.60053 17.9671 9.52218 8.26288 numMergedOcc 0
83 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 12.4952 9.4131 6.38324 numMergedOcc 0
84 mol 194 unq 1 iso 0 dist 6.72379 7.11753 6.38324 12.645 9.4131 6.1886 numMergedOcc 0
85 mol 196 unq 0 iso 0 dist 6.70531 4.54749 7.21349 12.1861 15.4429 9.62455 numMergedOcc 0
86 mol 196 unq 1 iso 0 dist 6.86319 10.645 7.21349 14.7256 15.4429 9.62455 numMergedOcc 0
87 mol 232 unq 0 iso 0 dist 9.05071 4.9377 9.8664 13.7227 16.4381 9.78181 numMergedOcc 0
88 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 14.1515 11.6106 9.16942 numMergedOcc 0
89 mol 280 unq 0 iso 0 dist 9.76787 6.19336 6.73712 10.7346 10.2665 9.35704 numMergedOcc 0
