0 mol 7 unq 0 iso 0 dist 8.36111 11.1673 8.15894 11.9671 7.12508 5.72491 17.0751 12.8323 7.88043 12.2041 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.36111 11.1673 8.15894 17.0751 12.8323 7.88043 11.9671 7.12508 5.72491 12.2041 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.56639 10.2375 6.73167 15.3546 8.25132 5.69955 12.0856 7.73394 8.6385 9.78225 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.56639 10.2375 6.73167 12.0856 7.73394 8.6385 15.3546 8.25132 5.69955 9.78225 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 9.78215 9.01144 6.78801 14.0009 4.57579 9.15431 15.4649 8.57203 6.92648 7.58238 numMergedOcc 0
5 mol 131 unq 0 iso 1 dist 9.78215 9.01144 6.78801 15.4649 8.57203 6.92648 14.0009 4.57579 9.15431 7.58238 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 9.78215 9.01144 6.78801 14.0009 4.57579 9.15431 17.0179 12.6005 9.29384 13.2572 numMergedOcc 0
7 mol 131 unq 1 iso 1 dist 9.78215 9.01144 6.78801 17.0179 12.6005 9.29384 14.0009 4.57579 9.15431 13.2572 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 9.78215 9.01144 6.78801 15.4649 8.57203 6.92648 17.0179 12.6005 9.29384 6.63273 numMergedOcc 0
9 mol 131 unq 1 iso 1 dist 9.78215 9.01144 6.78801 17.0179 12.6005 9.29384 15.4649 8.57203 6.92648 6.63273 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.49352 13.8289 8.48313 17.6189 14.2036 7.36779 21.3593 16.4114 8.20836 5.62899 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 7.49352 13.8289 8.48313 21.3593 16.4114 8.20836 17.6189 14.2036 7.36779 5.62899 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.2536 9.71171 9.13027 14.0594 11.8244 7.71426 13.4554 13.9189 5.10618 7.31409 numMergedOcc 0
13 mol 171 unq 0 iso 1 dist 9.2536 9.71171 9.13027 13.4554 13.9189 5.10618 14.0594 11.8244 7.71426 7.31409 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 9.2536 9.71171 9.13027 14.0594 11.8244 7.71426 15.2393 8.25926 9.86681 13.6814 numMergedOcc 0
15 mol 171 unq 1 iso 1 dist 9.2536 9.71171 9.13027 15.2393 8.25926 9.86681 14.0594 11.8244 7.71426 13.6814 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 9.2536 9.71171 9.13027 13.4554 13.9189 5.10618 15.2393 8.25926 9.86681 13.7214 numMergedOcc 0
17 mol 171 unq 1 iso 1 dist 9.2536 9.71171 9.13027 15.2393 8.25926 9.86681 13.4554 13.9189 5.10618 13.7214 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 5.66071 11.6678 7.87972 17.0914 11.9954 6.60567 11.2572 8.04534 7.62942 10.7531 numMergedOcc 0
19 mol 195 unq 0 iso 1 dist 5.66071 11.6678 7.87972 11.2572 8.04534 7.62942 17.0914 11.9954 6.60567 10.7531 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 9.93721 12.3816 8.78061 20.4515 14.0642 8.32218 13.5803 4.56899 7.96797 11.0921 numMergedOcc 0
21 mol 207 unq 0 iso 1 dist 9.93721 12.3816 8.78061 13.5803 4.56899 7.96797 20.4515 14.0642 8.32218 11.0921 numMergedOcc 0
22 mol 207 unq 1 iso 0 dist 6.29106 9.63255 8.78061 16.8531 14.0642 8.32218 8.29666 4.56899 7.96797 11.0921 numMergedOcc 0
23 mol 207 unq 1 iso 1 dist 6.29106 9.63255 8.78061 8.29666 4.56899 7.96797 16.8531 14.0642 8.32218 11.0921 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 8.43638 3.85144 5.50658 11.9502 6.47488 8.57827 10.0663 3.9436 6.29767 4.12932 numMergedOcc 0
25 mol 212 unq 0 iso 1 dist 8.43638 3.85144 5.50658 10.0663 3.9436 6.29767 11.9502 6.47488 8.57827 4.12932 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 7.06117 10.9589 5.50658 12.3918 6.47488 8.57827 10.8077 3.9436 6.29767 4.12932 numMergedOcc 0
27 mol 212 unq 1 iso 1 dist 7.06117 10.9589 5.50658 10.8077 3.9436 6.29767 12.3918 6.47488 8.57827 4.12932 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 7.05095 10.1582 7.14086 15.2039 11.4167 6.04162 15.562 13.2035 6.14323 4.92077 numMergedOcc 0
29 mol 264 unq 0 iso 1 dist 7.05095 10.1582 7.14086 15.562 13.2035 6.14323 15.2039 11.4167 6.04162 4.92077 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 9.53331 13.2159 7.49391 10.0077 4.51728 6.70215 14.432 5.45206 7.25423 5.41205 numMergedOcc 0
31 mol 276 unq 0 iso 1 dist 9.53331 13.2159 7.49391 14.432 5.45206 7.25423 10.0077 4.51728 6.70215 5.41205 numMergedOcc 0
32 mol 276 unq 1 iso 0 dist 9.53331 13.2159 7.49391 10.0077 4.51728 6.70215 18.3519 9.33434 7.88706 10.6102 numMergedOcc 0
33 mol 276 unq 1 iso 1 dist 9.53331 13.2159 7.49391 18.3519 9.33434 7.88706 10.0077 4.51728 6.70215 10.6102 numMergedOcc 0
34 mol 276 unq 2 iso 0 dist 9.53331 13.2159 7.49391 10.0077 4.51728 6.70215 16.4192 12.2368 7.23916 8.62129 numMergedOcc 0
35 mol 276 unq 2 iso 1 dist 9.53331 13.2159 7.49391 16.4192 12.2368 7.23916 10.0077 4.51728 6.70215 8.62129 numMergedOcc 0
36 mol 276 unq 1 iso 0 dist 9.53331 13.2159 7.49391 14.432 5.45206 7.25423 18.3519 9.33434 7.88706 6.19843 numMergedOcc 0
37 mol 276 unq 1 iso 1 dist 9.53331 13.2159 7.49391 18.3519 9.33434 7.88706 14.432 5.45206 7.25423 6.19843 numMergedOcc 0
38 mol 276 unq 2 iso 0 dist 9.53331 13.2159 7.49391 14.432 5.45206 7.25423 16.4192 12.2368 7.23916 10.1636 numMergedOcc 0
39 mol 276 unq 2 iso 1 dist 9.53331 13.2159 7.49391 16.4192 12.2368 7.23916 14.432 5.45206 7.25423 10.1636 numMergedOcc 0
40 mol 276 unq 2 iso 0 dist 9.53331 13.2159 7.49391 18.3519 9.33434 7.88706 16.4192 12.2368 7.23916 12.4616 numMergedOcc 0
41 mol 276 unq 2 iso 1 dist 9.53331 13.2159 7.49391 16.4192 12.2368 7.23916 18.3519 9.33434 7.88706 12.4616 numMergedOcc 0
