0 mol 4 unq 0 iso 0 dist 8.24634 9.16617 10.6506 6.29581 7.35416 6.42755 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.16617 8.24634 10.6506 6.29581 6.42755 7.35416 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 6.02809 7.35972 9.93542 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 7.36018 6.55811 5.43306 6.02809 9.93542 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.64915 8.17347 5.43306 4.98827 7.35972 9.93542 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.17347 8.64915 5.43306 4.98827 9.93542 7.35972 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 6.09764 9.20198 6.05053 8.96335 4.74809 5.86181 numMergedOcc 0
7 mol 20 unq 0 iso 1 dist 9.20198 6.09764 6.05053 8.96335 5.86181 4.74809 numMergedOcc 0
8 mol 20 unq 1 iso 0 dist 6.09764 9.20198 6.05053 6.05944 7.43882 6.3253 numMergedOcc 0
9 mol 20 unq 1 iso 1 dist 9.20198 6.09764 6.05053 6.05944 6.3253 7.43882 numMergedOcc 0
10 mol 20 unq 2 iso 0 dist 6.09764 9.20198 6.05053 7.46656 7.31198 5.80568 numMergedOcc 0
11 mol 20 unq 2 iso 1 dist 9.20198 6.09764 6.05053 7.46656 5.80568 7.31198 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 7.33768 9.01567 7.88693 6.66749 8.00171 4.2121 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 9.01567 7.33768 7.88693 6.66749 4.2121 8.00171 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 7.33768 7.29868 10.2653 6.66749 8.00171 6.72323 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 7.29868 7.33768 10.2653 6.66749 6.72323 8.00171 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 9.01567 7.29868 6.16544 6.66749 4.2121 6.72323 numMergedOcc 0
17 mol 24 unq 1 iso 1 dist 7.29868 9.01567 6.16544 6.66749 6.72323 4.2121 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 7.45383 9.01548 12.6805 5.77929 6.25843 8.88938 numMergedOcc 0
19 mol 25 unq 0 iso 1 dist 9.01548 7.45383 12.6805 5.77929 8.88938 6.25843 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 8.76789 9.08382 4.38093 6.40824 6.11502 6.33431 numMergedOcc 0
21 mol 125 unq 0 iso 1 dist 9.08382 8.76789 4.38093 6.40824 6.33431 6.11502 numMergedOcc 0
22 mol 125 unq 1 iso 0 dist 7.73435 9.3778 4.38093 9.20086 6.11502 6.33431 numMergedOcc 0
23 mol 125 unq 1 iso 1 dist 9.3778 7.73435 4.38093 9.20086 6.33431 6.11502 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 9.36851 4.97175 5.41583 4.55551 9.73158 7.59327 numMergedOcc 0
25 mol 129 unq 0 iso 1 dist 4.97175 9.36851 5.41583 4.55551 7.59327 9.73158 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 7.30357 8.61587 6.12113 5.81563 8.21184 5.9976 numMergedOcc 0
27 mol 156 unq 0 iso 1 dist 8.61587 7.30357 6.12113 5.81563 5.9976 8.21184 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.30357 8.61587 6.12113 5.52796 5.41575 6.86566 numMergedOcc 0
29 mol 156 unq 1 iso 1 dist 8.61587 7.30357 6.12113 5.52796 6.86566 5.41575 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 5.48551 7.22518 7.58499 numMergedOcc 0
31 mol 171 unq 0 iso 1 dist 8.1344 5.93786 3.98338 5.48551 7.58499 7.22518 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 7.9651 5.25109 8.21618 numMergedOcc 0
33 mol 171 unq 1 iso 1 dist 8.1344 5.93786 3.98338 7.9651 8.21618 5.25109 numMergedOcc 0
34 mol 171 unq 2 iso 0 dist 8.24693 6.71356 3.98338 8.05069 7.22518 7.58499 numMergedOcc 0
35 mol 171 unq 2 iso 1 dist 6.71356 8.24693 3.98338 8.05069 7.58499 7.22518 numMergedOcc 0
36 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 12.6853 5.25109 8.21618 numMergedOcc 0
37 mol 171 unq 3 iso 1 dist 6.71356 8.24693 3.98338 12.6853 8.21618 5.25109 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 7.81713 7.32087 8.86197 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 6.59025 6.46704 9.87773 7.81713 8.86197 7.32087 numMergedOcc 0
