0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.55304 6.7985 6.14469 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 4.29582 7.07399 6.03257 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 8.4674 6.41575 4.64838 9.74255 8.40416 9.95212 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 6.41575 4.97119 9.74255 7.75618 9.95212 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.51865 6.41423 4.64838 7.08342 8.40416 9.95212 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 6.41423 4.97119 7.08342 7.75618 9.95212 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 numMergedOcc 0
17 mol 24 unq 2 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 numMergedOcc 0
19 mol 24 unq 3 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 numMergedOcc 0
20 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 numMergedOcc 0
21 mol 24 unq 4 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 numMergedOcc 0
23 mol 25 unq 0 iso 1 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 numMergedOcc 0
25 mol 25 unq 1 iso 1 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 numMergedOcc 0
27 mol 25 unq 2 iso 1 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 numMergedOcc 0
29 mol 25 unq 3 iso 1 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 4.55551 6.28565 9.73158 numMergedOcc 0
37 mol 129 unq 0 iso 1 dist 5.83384 6.28565 4.55551 10.7293 9.36851 9.73158 numMergedOcc 0
38 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 numMergedOcc 0
39 mol 129 unq 1 iso 1 dist 5.83384 6.28565 4.55551 7.29399 4.97175 7.59327 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 numMergedOcc 0
43 mol 134 unq 1 iso 1 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 numMergedOcc 0
45 mol 134 unq 2 iso 1 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 numMergedOcc 0
46 mol 156 unq 0 iso 0 dist 7.44554 9.4013 5.71511 5.4555 9.44367 8.37434 numMergedOcc 0
47 mol 156 unq 0 iso 1 dist 7.44554 9.44367 5.4555 5.71511 9.4013 8.37434 numMergedOcc 0
48 mol 156 unq 1 iso 0 dist 8.94056 9.4013 6.13574 5.4555 7.90267 8.37434 numMergedOcc 0
49 mol 156 unq 1 iso 1 dist 8.94056 7.90267 5.4555 6.13574 9.4013 8.37434 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 numMergedOcc 0
54 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 numMergedOcc 0
55 mol 232 unq 0 iso 1 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 numMergedOcc 0
57 mol 274 unq 0 iso 1 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 numMergedOcc 0
