0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 12.2041 7.88043 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99459 8.0744 12.2041 5.72491 9.67164 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99459 11.7002 12.2041 9.67579 9.67164 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.92414 6.56356 4.69349 10.9495 13.6835 9.01112 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.92414 6.56356 4.69349 8.09332 11.2464 7.62333 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 6.82379 6.56356 8.64248 10.9495 10.6335 9.01112 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 6.82379 6.56356 8.64248 8.09332 11.7258 7.62333 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 6.90155 9.48085 13.7717 10.9391 17.3821 9.49421 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 6.6492 9.49421 11.7199 10.9391 16.357 9.48085 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.67502 10.0962 7.57295 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 7.55695 8.4312 5.71764 5.00018 8.82176 7.48086 numMergedOcc 0
13 mol 60 unq 2 iso 0 dist 8.82176 7.48086 5.71764 6.54743 10.0962 7.57295 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 8.82176 7.48086 5.71764 5.00018 7.55695 8.4312 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 7.11 5.5087 7.50869 8.07446 11.2874 5.61588 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 7.11 6.08682 3.6807 8.07446 11.2874 7.83244 numMergedOcc 0
21 mol 73 unq 6 iso 0 dist 7.04044 9.73086 7.8972 5.4148 8.73253 7.4369 numMergedOcc 0
22 mol 73 unq 7 iso 0 dist 8.73253 7.4369 7.8972 5.4148 7.04044 9.73086 numMergedOcc 0
23 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 10.2879 13.187 6.72869 numMergedOcc 0
24 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 10.2879 11.2278 6.72869 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 17.2949 15.7097 7.86666 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 7.15843 13.8663 8.52024 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 4.8896 6.47042 8.47988 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 4.8896 6.47042 8.0427 numMergedOcc 0
29 mol 112 unq 2 iso 0 dist 6.47042 8.47988 8.90959 4.8896 6.78038 9.02706 numMergedOcc 0
30 mol 112 unq 3 iso 0 dist 6.47042 8.0427 4.4941 4.8896 6.78038 9.39168 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 7.69052 10.9734 6.39384 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.9871 14.6439 8.95212 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 4.85907 8.56342 7.64052 numMergedOcc 0
34 mol 119 unq 2 iso 0 dist 8.56342 7.64052 6.29394 9.93257 14.6439 8.95212 numMergedOcc 0
35 mol 119 unq 3 iso 0 dist 8.56342 7.64052 6.29394 4.85907 7.99857 6.99446 numMergedOcc 0
36 mol 119 unq 4 iso 0 dist 6.37542 7.64052 9.64502 9.93257 12.8836 8.95212 numMergedOcc 0
37 mol 119 unq 5 iso 0 dist 6.37542 7.64052 9.64502 4.85907 10.4631 6.99446 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 10.7144 10.873 7.93372 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 5.49782 10.873 7.93372 numMergedOcc 0
42 mol 142 unq 0 iso 0 dist 9.17106 7.81207 9.38687 5.32922 12.432 6.14151 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.65448 8.28642 6.70693 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 6.83796 12.9252 9.3498 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 7.20574 6.61112 8.58039 7.09479 12.6244 8.90571 numMergedOcc 0
47 mol 207 unq 0 iso 0 dist 8.85547 6.0563 5.34897 5.99308 14.1583 9.98372 numMergedOcc 0
48 mol 207 unq 1 iso 0 dist 8.85547 8.1244 9.86978 5.99308 14.1583 9.1528 numMergedOcc 0
49 mol 207 unq 2 iso 0 dist 7.96797 6.0563 7.64813 5.99308 13.9435 9.98372 numMergedOcc 0
50 mol 207 unq 3 iso 0 dist 7.96797 8.1244 11.9725 5.99308 13.9435 9.1528 numMergedOcc 0
51 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.72474 5.76954 7.33709 numMergedOcc 0
52 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 6.17651 9.20961 6.67404 numMergedOcc 0
53 mol 218 unq 2 iso 0 dist 8.86175 8.75536 13.4147 4.72474 6.29511 7.33709 numMergedOcc 0
54 mol 218 unq 3 iso 0 dist 8.86175 8.75536 13.4147 6.17651 9.91544 6.67404 numMergedOcc 0
55 mol 218 unq 4 iso 0 dist 8.06216 7.33709 7.4492 4.72474 11.565 8.75536 numMergedOcc 0
56 mol 218 unq 5 iso 0 dist 8.06216 7.33709 7.4492 5.61978 11.5105 6.67404 numMergedOcc 0
57 mol 218 unq 6 iso 0 dist 5.76954 7.33709 6.57708 4.72474 6.29367 8.75536 numMergedOcc 0
58 mol 218 unq 7 iso 0 dist 5.76954 7.33709 6.57708 5.61978 9.20961 6.67404 numMergedOcc 0
59 mol 218 unq 8 iso 0 dist 6.29511 7.33709 13.4147 4.72474 8.86175 8.75536 numMergedOcc 0
60 mol 218 unq 9 iso 0 dist 6.29511 7.33709 13.4147 5.61978 9.91544 6.67404 numMergedOcc 0
61 mol 218 unq 10 iso 0 dist 9.20961 6.67404 6.57708 6.17651 6.29367 8.75536 numMergedOcc 0
62 mol 218 unq 11 iso 0 dist 9.20961 6.67404 6.57708 5.61978 5.76954 7.33709 numMergedOcc 0
63 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 13.3965 11.5332 8.1945 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 numMergedOcc 0
66 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 5.1556 11.2687 9.51168 numMergedOcc 0
67 mol 229 unq 1 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 numMergedOcc 0
68 mol 229 unq 2 iso 0 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 numMergedOcc 0
69 mol 229 unq 3 iso 0 dist 5.77318 6.95201 6.93188 6.54885 11.2687 9.51168 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 10.2693 15.2927 5.64285 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 15.7907 17.2012 9.12776 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 5.52379 6.99888 5.63944 10.1813 11.9624 9.08509 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 5.64181 9.08509 6.94907 10.1813 11.589 6.99888 numMergedOcc 0
74 mol 257 unq 0 iso 0 dist 9.69696 7.81897 5.96144 5.74182 10.8431 6.34915 numMergedOcc 0
75 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 9.98105 8.59697 6.9899 numMergedOcc 0
76 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 6.96053 10.5803 9.46361 numMergedOcc 0
77 mol 259 unq 2 iso 0 dist 8.59697 6.9899 7.32929 9.98105 8.55558 5.85442 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 7.07277 12.2392 5.90058 numMergedOcc 0
79 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 numMergedOcc 0
80 mol 264 unq 2 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 numMergedOcc 0
81 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 14.3597 12.2392 5.90058 numMergedOcc 0
82 mol 264 unq 4 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 numMergedOcc 0
83 mol 264 unq 5 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 numMergedOcc 0
84 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 7.69449 11.5506 5.46926 numMergedOcc 0
85 mol 277 unq 1 iso 0 dist 6.57903 9.57499 14.6871 11.8268 12.7237 8.9682 numMergedOcc 0
