0 mol 30 unq 0 iso 0 dist 7.6477 4.43881 6.07517 9.17153 6.74179 5.34368 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 7.6477 9.17153 6.74179 4.43881 6.07517 5.34368 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 12.2906 6.75943 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.21247 12.2906 6.75943 5.39546 6.6263 8.13395 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.79061 4.78435 9.73086 6.33833 7.4369 5.4148 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.79061 6.33833 7.4369 4.78435 9.73086 5.4148 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.73179 4.80624 6.72869 14.1154 9.85905 10.2879 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 9.73179 14.1154 9.85905 4.80624 6.72869 10.2879 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.6536 10.8268 7.7988 11.179 9.40824 4.97527 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 6.6536 11.179 9.40824 10.8268 7.7988 4.97527 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.6536 10.8268 7.7988 4.87668 4.22363 6.34999 numMergedOcc 0
11 mol 112 unq 1 iso 1 dist 6.6536 4.87668 4.22363 10.8268 7.7988 6.34999 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 6.6536 11.179 9.40824 4.87668 4.22363 6.72751 numMergedOcc 0
13 mol 112 unq 1 iso 1 dist 6.6536 4.87668 4.22363 11.179 9.40824 6.72751 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.40461 5.28089 6.89918 4.50065 7.89457 4.35917 numMergedOcc 0
15 mol 132 unq 0 iso 1 dist 8.40461 4.50065 7.89457 5.28089 6.89918 4.35917 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 4.73115 5.57177 5.35237 10.8108 7.99477 6.90348 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 4.73115 10.8108 7.99477 5.57177 5.35237 6.90348 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.73668 14.5913 6.42772 11.9734 9.1998 11.6064 numMergedOcc 0
19 mol 134 unq 1 iso 1 dist 8.73668 11.9734 9.1998 14.5913 6.42772 11.6064 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.73668 14.5913 6.42772 5.57177 8.70621 13.7309 numMergedOcc 0
21 mol 134 unq 2 iso 1 dist 8.73668 5.57177 8.70621 14.5913 6.42772 13.7309 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.73668 11.9734 9.1998 5.57177 8.70621 7.09823 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 8.73668 5.57177 8.70621 11.9734 9.1998 7.09823 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 6.32527 5.96003 6.41689 4.96848 9.07758 6.8016 numMergedOcc 0
25 mol 152 unq 0 iso 1 dist 6.32527 4.96848 9.07758 5.96003 6.41689 6.8016 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.47168 5.74656 7.68266 11.2312 7.6616 6.44246 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 9.47168 11.2312 7.6616 5.74656 7.68266 6.44246 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 9.47168 5.74656 7.68266 6.67469 9.2289 4.70068 numMergedOcc 0
29 mol 167 unq 1 iso 1 dist 9.47168 6.67469 9.2289 5.74656 7.68266 4.70068 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 9.47168 11.2312 7.6616 6.67469 9.2289 10.3445 numMergedOcc 0
31 mol 167 unq 1 iso 1 dist 9.47168 6.67469 9.2289 11.2312 7.6616 10.3445 numMergedOcc 0
32 mol 167 unq 2 iso 0 dist 9.76579 5.74656 6.84752 11.2312 7.86563 6.44246 numMergedOcc 0
33 mol 167 unq 2 iso 1 dist 9.76579 11.2312 7.86563 5.74656 6.84752 6.44246 numMergedOcc 0
34 mol 167 unq 3 iso 0 dist 9.76579 5.74656 6.84752 6.67469 7.02548 4.70068 numMergedOcc 0
35 mol 167 unq 3 iso 1 dist 9.76579 6.67469 7.02548 5.74656 6.84752 4.70068 numMergedOcc 0
36 mol 167 unq 3 iso 0 dist 9.76579 11.2312 7.86563 6.67469 7.02548 10.3445 numMergedOcc 0
37 mol 167 unq 3 iso 1 dist 9.76579 6.67469 7.02548 11.2312 7.86563 10.3445 numMergedOcc 0
38 mol 170 unq 0 iso 0 dist 9.66676 11.4871 9.08274 6.45787 9.51256 8.56034 numMergedOcc 0
39 mol 170 unq 0 iso 1 dist 9.66676 6.45787 9.51256 11.4871 9.08274 8.56034 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 4.62576 5.05973 11.5866 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 5.97971 4.62576 5.05973 10.8374 9.01624 11.5866 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 8.72747 11.9541 9.01624 4.80932 5.05973 11.5866 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 8.72747 4.80932 5.05973 11.9541 9.01624 11.5866 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 8.23845 8.672 9.01624 6.42223 5.05973 11.5866 numMergedOcc 0
45 mol 181 unq 2 iso 1 dist 8.23845 6.42223 5.05973 8.672 9.01624 11.5866 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 8.09915 5.25279 9.3498 9.29114 7.05695 6.83796 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 8.09915 9.29114 7.05695 5.25279 9.3498 6.83796 numMergedOcc 0
48 mol 197 unq 0 iso 0 dist 7.86042 7.17757 9.10817 5.75906 6.86828 5.43601 numMergedOcc 0
49 mol 197 unq 0 iso 1 dist 7.86042 5.75906 6.86828 7.17757 9.10817 5.43601 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 8.92597 7.22201 7.21137 12.3312 8.4844 10.817 numMergedOcc 0
51 mol 205 unq 0 iso 1 dist 8.92597 12.3312 8.4844 7.22201 7.21137 10.817 numMergedOcc 0
52 mol 205 unq 1 iso 0 dist 7.53734 13.6728 7.21137 7.78052 8.4844 10.817 numMergedOcc 0
53 mol 205 unq 1 iso 1 dist 7.53734 7.78052 8.4844 13.6728 7.21137 10.817 numMergedOcc 0
54 mol 205 unq 2 iso 0 dist 9.79826 14.1866 7.21137 13.0749 8.4844 10.817 numMergedOcc 0
55 mol 205 unq 2 iso 1 dist 9.79826 13.0749 8.4844 14.1866 7.21137 10.817 numMergedOcc 0
56 mol 218 unq 0 iso 0 dist 9.65132 7.34507 8.75536 4.79566 7.33709 4.72474 numMergedOcc 0
57 mol 218 unq 0 iso 1 dist 9.65132 4.79566 7.33709 7.34507 8.75536 4.72474 numMergedOcc 0
58 mol 218 unq 1 iso 0 dist 9.65132 7.34507 8.75536 4.68974 6.67404 6.17651 numMergedOcc 0
59 mol 218 unq 1 iso 1 dist 9.65132 4.68974 6.67404 7.34507 8.75536 6.17651 numMergedOcc 0
60 mol 218 unq 1 iso 0 dist 9.65132 4.79566 7.33709 4.68974 6.67404 5.61978 numMergedOcc 0
61 mol 218 unq 1 iso 1 dist 9.65132 4.68974 6.67404 4.79566 7.33709 5.61978 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 6.64754 9.78218 10.3613 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 8.565 6.64754 9.78218 6.57808 8.08349 10.3613 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 7.04671 9.72188 15.7907 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 5.52788 7.04671 9.72188 10.313 9.12776 15.7907 numMergedOcc 0
66 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 16.5315 9.34438 11.347 numMergedOcc 0
67 mol 239 unq 0 iso 1 dist 9.993 16.5315 9.34438 13.3838 6.73665 11.347 numMergedOcc 0
68 mol 239 unq 1 iso 0 dist 9.993 13.3838 6.73665 10.3956 9.35949 7.97994 numMergedOcc 0
69 mol 239 unq 1 iso 1 dist 9.993 10.3956 9.35949 13.3838 6.73665 7.97994 numMergedOcc 0
70 mol 239 unq 1 iso 0 dist 9.993 16.5315 9.34438 10.3956 9.35949 11.2636 numMergedOcc 0
71 mol 239 unq 1 iso 1 dist 9.993 10.3956 9.35949 16.5315 9.34438 11.2636 numMergedOcc 0
72 mol 251 unq 0 iso 0 dist 9.65275 10.1306 9.82601 10.2078 6.50357 5.19086 numMergedOcc 0
73 mol 251 unq 0 iso 1 dist 9.65275 10.2078 6.50357 10.1306 9.82601 5.19086 numMergedOcc 0
74 mol 255 unq 0 iso 0 dist 5.88708 6.36792 6.87333 4.95139 9.86207 8.04381 numMergedOcc 0
75 mol 255 unq 0 iso 1 dist 5.88708 4.95139 9.86207 6.36792 6.87333 8.04381 numMergedOcc 0
76 mol 257 unq 0 iso 0 dist 8.00193 4.91688 6.34915 6.25954 7.81897 5.74182 numMergedOcc 0
77 mol 257 unq 0 iso 1 dist 8.00193 6.25954 7.81897 4.91688 6.34915 5.74182 numMergedOcc 0
78 mol 292 unq 0 iso 0 dist 9.64781 5.08702 9.90967 11.5813 8.38121 11.8061 numMergedOcc 0
79 mol 292 unq 0 iso 1 dist 9.64781 11.5813 8.38121 5.08702 9.90967 11.8061 numMergedOcc 0
