0 mol 5 unq 0 iso 0 dist 7.64048 5.17677 5.63302 7.62938 5.8674 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.64048 5.17677 5.63302 10.7685 6.88126 8.31759 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.64048 8.12453 4.55639 7.62938 5.8674 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.64048 8.12453 4.55639 10.7685 6.88126 8.13672 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.64048 5.58988 5.70163 7.62938 5.8674 9.70883 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 7.64048 5.58988 5.70163 14.1058 11.1601 9.65565 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 5.88082 8.46939 8.65986 14.095 11.253 7.47395 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 5.35469 8.46939 9.74724 14.095 12.4229 7.47395 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.14653 12.8342 8.96154 13.9106 11.9912 8.53424 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 9.14653 14.4187 8.90935 13.9106 11.9912 7.08766 numMergedOcc 0
10 mol 33 unq 0 iso 0 dist 7.77567 6.82054 8.45145 9.06004 6.33349 4.78873 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 6.60886 9.37396 8.90965 11.441 6.2569 7.23828 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.88471 9.49441 9.86479 15.6005 14.7216 9.07629 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 6.88471 9.49441 9.86479 17.8709 16.1736 8.61143 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 7.74797 15.7569 9.86479 22.2604 14.7216 9.07629 numMergedOcc 0
15 mol 78 unq 3 iso 0 dist 7.74797 15.7569 9.86479 22.4396 16.1736 8.61143 numMergedOcc 0
16 mol 78 unq 4 iso 0 dist 8.19547 5.15922 9.86479 13.4801 14.7216 9.07629 numMergedOcc 0
17 mol 78 unq 5 iso 0 dist 8.19547 5.15922 9.86479 13.6342 16.1736 8.61143 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 9.43033 5.04406 8.20345 11.3337 3.21474 8.78115 numMergedOcc 0
19 mol 123 unq 1 iso 0 dist 9.43033 8.75597 5.38148 14.2713 8.56894 5.56127 numMergedOcc 0
20 mol 123 unq 2 iso 0 dist 9.43033 8.75597 5.38148 11.3337 3.21474 8.03692 numMergedOcc 0
21 mol 123 unq 3 iso 0 dist 9.43033 8.75597 5.38148 9.85144 9.94939 5.36214 numMergedOcc 0
22 mol 123 unq 4 iso 0 dist 8.57379 7.36026 6.63094 8.39986 5.2546 5.56127 numMergedOcc 0
23 mol 123 unq 5 iso 0 dist 8.57379 7.36026 6.63094 15.0739 12.6794 8.03692 numMergedOcc 0
24 mol 123 unq 6 iso 0 dist 8.57379 7.36026 6.63094 5.80266 5.79985 5.36214 numMergedOcc 0
25 mol 123 unq 7 iso 0 dist 5.87154 6.45068 8.24171 5.18305 3.00129 5.56127 numMergedOcc 0
26 mol 123 unq 8 iso 0 dist 5.87154 6.45068 8.24171 13.4965 12.1183 8.03692 numMergedOcc 0
27 mol 123 unq 9 iso 0 dist 5.87154 6.45068 8.24171 6.78431 10.7803 5.36214 numMergedOcc 0
28 mol 123 unq 10 iso 0 dist 6.82663 6.45068 6.63094 5.18305 5.2546 5.56127 numMergedOcc 0
29 mol 123 unq 11 iso 0 dist 6.82663 6.45068 6.63094 13.4965 12.6794 8.03692 numMergedOcc 0
30 mol 123 unq 12 iso 0 dist 6.82663 6.45068 6.63094 6.78431 5.79985 5.36214 numMergedOcc 0
31 mol 123 unq 13 iso 0 dist 9.93167 7.09872 8.20345 12.2214 3.21474 8.78115 numMergedOcc 0
32 mol 123 unq 14 iso 0 dist 9.93167 6.36283 5.38148 11.0811 8.56894 5.56127 numMergedOcc 0
33 mol 123 unq 15 iso 0 dist 9.93167 6.36283 5.38148 12.2214 3.21474 8.03692 numMergedOcc 0
34 mol 123 unq 16 iso 0 dist 9.93167 6.36283 5.38148 6.60464 9.94939 5.36214 numMergedOcc 0
35 mol 176 unq 0 iso 0 dist 8.8556 4.99447 5.58647 6.95058 5.64063 6.85902 numMergedOcc 0
36 mol 184 unq 0 iso 0 dist 7.90504 10.2778 6.79615 9.35481 4.06997 9.21536 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 5.34771 8.2722 9.90494 10.5501 12.6476 7.31132 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 9.2825 8.2722 5.90121 10.5501 3.31521 7.31132 numMergedOcc 0
39 mol 283 unq 2 iso 0 dist 9.40332 5.93642 9.90494 8.3831 12.6476 7.31132 numMergedOcc 0
40 mol 283 unq 3 iso 0 dist 5.8676 5.93642 5.90121 8.3831 3.31521 7.31132 numMergedOcc 0
