0 mol 5 unq 0 iso 0 dist 5.63302 5.8674 7.64769 6.88126 8.31759 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 5.63302 6.88126 8.31759 5.8674 7.64769 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 4.55639 5.8674 8.68577 6.88126 8.13672 4.73885 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 4.55639 6.88126 8.13672 5.8674 8.68577 4.73885 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 5.70163 5.8674 9.70883 11.1601 9.65565 16.0393 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 5.70163 11.1601 9.65565 5.8674 9.70883 16.0393 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.47637 13.6544 8.53424 11.0902 7.08766 3.70336 numMergedOcc 0
7 mol 28 unq 0 iso 1 dist 8.47637 11.0902 7.08766 13.6544 8.53424 3.70336 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 8.47637 13.6544 8.53424 8.59089 4.82199 5.1533 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 8.47637 8.59089 4.82199 13.6544 8.53424 5.1533 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 8.47637 11.0902 7.08766 8.59089 4.82199 3.0988 numMergedOcc 0
11 mol 28 unq 1 iso 1 dist 8.47637 8.59089 4.82199 11.0902 7.08766 3.0988 numMergedOcc 0
12 mol 63 unq 0 iso 0 dist 9.58748 5.59559 8.14512 9.7326 9.13228 13.0286 numMergedOcc 0
13 mol 63 unq 0 iso 1 dist 9.58748 9.7326 9.13228 5.59559 8.14512 13.0286 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 8.70827 8.43906 9.07629 12.2898 8.61143 8.09729 numMergedOcc 0
15 mol 78 unq 0 iso 1 dist 8.70827 12.2898 8.61143 8.43906 9.07629 8.09729 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 9.86479 14.7216 9.07629 16.1736 8.61143 8.09729 numMergedOcc 0
17 mol 78 unq 1 iso 1 dist 9.86479 16.1736 8.61143 14.7216 9.07629 8.09729 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 6.9447 3.80877 5.20429 12.771 8.71366 9.47916 numMergedOcc 0
19 mol 93 unq 0 iso 1 dist 6.9447 12.771 8.71366 3.80877 5.20429 9.47916 numMergedOcc 0
20 mol 111 unq 0 iso 0 dist 6.34004 5.39108 4.91212 13.201 9.34782 8.72808 numMergedOcc 0
21 mol 111 unq 0 iso 1 dist 6.34004 13.201 9.34782 5.39108 4.91212 8.72808 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 8.46167 4.62493 5.31126 6.47997 7.16619 2.75715 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 8.46167 6.47997 7.16619 4.62493 5.31126 2.75715 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 6.13175 4.62493 4.49669 6.47997 5.88896 2.75715 numMergedOcc 0
25 mol 113 unq 1 iso 1 dist 6.13175 6.47997 5.88896 4.62493 4.49669 2.75715 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 9.43682 3.47821 7.84207 6.10769 6.98791 5.26524 numMergedOcc 0
27 mol 120 unq 0 iso 1 dist 9.43682 6.10769 6.98791 3.47821 7.84207 5.26524 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 9.8098 11.5289 7.84207 10.6796 8.56947 8.68088 numMergedOcc 0
29 mol 120 unq 1 iso 1 dist 9.8098 10.6796 8.56947 11.5289 7.84207 8.68088 numMergedOcc 0
30 mol 123 unq 0 iso 0 dist 8.24171 3.00129 5.56127 12.1183 8.03692 10.2185 numMergedOcc 0
31 mol 123 unq 0 iso 1 dist 8.24171 12.1183 8.03692 3.00129 5.56127 10.2185 numMergedOcc 0
32 mol 123 unq 1 iso 0 dist 8.24171 3.00129 5.56127 10.7803 5.36214 8.29136 numMergedOcc 0
33 mol 123 unq 1 iso 1 dist 8.24171 10.7803 5.36214 3.00129 5.56127 8.29136 numMergedOcc 0
34 mol 123 unq 1 iso 0 dist 8.24171 12.1183 8.03692 10.7803 5.36214 13.0033 numMergedOcc 0
35 mol 123 unq 1 iso 1 dist 8.24171 10.7803 5.36214 12.1183 8.03692 13.0033 numMergedOcc 0
36 mol 123 unq 2 iso 0 dist 5.38148 8.56894 5.56127 3.21474 8.03692 10.2185 numMergedOcc 0
37 mol 123 unq 2 iso 1 dist 5.38148 3.21474 8.03692 8.56894 5.56127 10.2185 numMergedOcc 0
38 mol 123 unq 3 iso 0 dist 5.38148 8.56894 5.56127 9.94939 5.36214 8.29136 numMergedOcc 0
39 mol 123 unq 3 iso 1 dist 5.38148 9.94939 5.36214 8.56894 5.56127 8.29136 numMergedOcc 0
40 mol 123 unq 3 iso 0 dist 5.38148 3.21474 8.03692 9.94939 5.36214 13.0033 numMergedOcc 0
41 mol 123 unq 3 iso 1 dist 5.38148 9.94939 5.36214 3.21474 8.03692 13.0033 numMergedOcc 0
42 mol 123 unq 4 iso 0 dist 6.63094 5.2546 5.56127 12.6794 8.03692 10.2185 numMergedOcc 0
43 mol 123 unq 4 iso 1 dist 6.63094 12.6794 8.03692 5.2546 5.56127 10.2185 numMergedOcc 0
44 mol 123 unq 5 iso 0 dist 6.63094 5.2546 5.56127 5.79985 5.36214 8.29136 numMergedOcc 0
45 mol 123 unq 5 iso 1 dist 6.63094 5.79985 5.36214 5.2546 5.56127 8.29136 numMergedOcc 0
46 mol 123 unq 5 iso 0 dist 6.63094 12.6794 8.03692 5.79985 5.36214 13.0033 numMergedOcc 0
47 mol 123 unq 5 iso 1 dist 6.63094 5.79985 5.36214 12.6794 8.03692 13.0033 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.64977 13.3603 7.25595 11.4647 9.94825 12.8007 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 9.64977 11.4647 9.94825 13.3603 7.25595 12.8007 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 8.93352 13.336 4.68722 11.2435 5.18325 5.61057 numMergedOcc 0
51 mol 194 unq 0 iso 1 dist 8.93352 11.2435 5.18325 13.336 4.68722 5.61057 numMergedOcc 0
52 mol 260 unq 0 iso 0 dist 9.68243 7.79959 7.04263 9.44591 6.48099 8.76827 numMergedOcc 0
53 mol 260 unq 0 iso 1 dist 9.68243 9.44591 6.48099 7.79959 7.04263 8.76827 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 8.53393 13.7573 7.8598 10.0357 8.25286 11.938 numMergedOcc 0
55 mol 266 unq 0 iso 1 dist 8.53393 10.0357 8.25286 13.7573 7.8598 11.938 numMergedOcc 0
56 mol 266 unq 1 iso 0 dist 7.24165 13.7573 7.80711 10.0357 9.9965 11.938 numMergedOcc 0
57 mol 266 unq 1 iso 1 dist 7.24165 10.0357 9.9965 13.7573 7.80711 11.938 numMergedOcc 0
