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 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 6.94408 6.24978 11.865 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 11.2508 9.66439 14.7257 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 6.56356 8.64248 12.4076 7.3915 12.536 numMergedOcc 0
5 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 10.8906 5.78148 14.1711 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 8.43325 9.45635 9.75022 5.43688 6.26071 12.0737 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 7.05502 7.83786 11.6516 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 12.3067 9.24958 11.0181 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 10.6808 6.90155 16.617 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 6.90155 4.79873 6.86525 10.6808 5.81959 11.4732 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 6.90155 9.48085 13.7717 10.6808 5.81959 17.8732 numMergedOcc 0
15 mol 38 unq 0 iso 0 dist 7.05737 9.19165 5.26748 5.64331 7.54179 10.9308 numMergedOcc 0
16 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 numMergedOcc 0
17 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 9.44459 9.33906 10.7651 5.24762 6.06454 11.5679 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 7.29309 9.96399 12.8147 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 7.55695 8.4312 5.71764 5.00018 8.82176 7.48086 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 8.82176 9.95132 12.9345 12.2509 9.96399 20.3344 numMergedOcc 0
22 mol 60 unq 3 iso 0 dist 8.82176 9.95132 12.9345 5.00018 7.55695 14.0656 numMergedOcc 0
23 mol 60 unq 4 iso 0 dist 8.82176 7.48086 5.71764 12.2509 9.96399 12.8147 numMergedOcc 0
24 mol 60 unq 5 iso 0 dist 8.82176 7.48086 5.71764 5.00018 7.55695 8.4312 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 5.16364 8.72682 5.56296 8.07446 8.85586 10.2939 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 5.16364 6.45841 6.69436 8.07446 8.85586 8.62198 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 numMergedOcc 0
31 mol 73 unq 6 iso 0 dist 7.04044 9.73086 7.8972 5.4148 8.73253 7.4369 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 8.73253 8.68662 10.9746 5.4148 7.04044 12.2276 numMergedOcc 0
33 mol 73 unq 8 iso 0 dist 8.73253 7.4369 7.8972 5.4148 7.04044 9.73086 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 6.48636 8.0831 13.3828 numMergedOcc 0
35 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 6.48636 8.67766 12.448 numMergedOcc 0
36 mol 109 unq 2 iso 0 dist 5.34214 7.07971 6.8409 4.98336 7.55384 11.8087 numMergedOcc 0
37 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 4.8896 6.47042 8.47988 numMergedOcc 0
38 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 4.8896 6.47042 8.0427 numMergedOcc 0
39 mol 112 unq 2 iso 0 dist 6.47042 8.47988 8.90959 4.8896 6.78038 9.02706 numMergedOcc 0
40 mol 112 unq 3 iso 0 dist 6.47042 8.0427 4.4941 4.8896 6.78038 9.39168 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.85907 8.56342 7.64052 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 4.85907 7.99857 6.99446 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 8.86329 9.27976 5.30999 5.55373 8.71039 10.0551 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 numMergedOcc 0
46 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 6.21253 7.86572 11.5913 numMergedOcc 0
47 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.65448 8.28642 6.70693 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.65448 8.28642 9.27706 numMergedOcc 0
49 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 5.74635 6.85302 11.456 numMergedOcc 0
51 mol 186 unq 1 iso 0 dist 7.24795 8.73533 9.40383 9.41955 9.56197 16.711 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 7.24795 8.73533 9.40383 13.684 8.64409 17.684 numMergedOcc 0
53 mol 186 unq 3 iso 0 dist 7.24795 8.73533 9.40383 9.45987 7.60202 13.8845 numMergedOcc 0
54 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 10.7531 7.62942 16.1768 numMergedOcc 0
55 mol 195 unq 1 iso 0 dist 7.62942 9.03441 8.89297 10.7531 6.60567 14.2497 numMergedOcc 0
56 mol 207 unq 0 iso 0 dist 7.96797 5.12567 5.47626 11.0921 8.32218 12.2823 numMergedOcc 0
57 mol 207 unq 1 iso 0 dist 7.96797 6.0563 7.64813 11.0921 8.32218 10.8457 numMergedOcc 0
58 mol 207 unq 2 iso 0 dist 7.96797 8.1244 11.9725 11.0921 8.32218 12.7815 numMergedOcc 0
59 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.72474 5.76954 7.33709 numMergedOcc 0
60 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 6.17651 9.20961 6.67404 numMergedOcc 0
61 mol 218 unq 2 iso 0 dist 8.86175 8.75536 13.4147 4.72474 6.29511 7.33709 numMergedOcc 0
62 mol 218 unq 3 iso 0 dist 5.76954 7.33709 6.57708 4.72474 6.29367 8.75536 numMergedOcc 0
63 mol 218 unq 4 iso 0 dist 5.76954 7.33709 6.57708 5.61978 9.20961 6.67404 numMergedOcc 0
64 mol 218 unq 5 iso 0 dist 6.29511 7.33709 13.4147 4.72474 8.86175 8.75536 numMergedOcc 0
65 mol 218 unq 6 iso 0 dist 9.20961 6.67404 6.57708 6.17651 6.29367 8.75536 numMergedOcc 0
66 mol 218 unq 7 iso 0 dist 9.20961 6.67404 6.57708 5.61978 5.76954 7.33709 numMergedOcc 0
67 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 numMergedOcc 0
68 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 numMergedOcc 0
69 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 6.94172 8.08082 11.0297 numMergedOcc 0
70 mol 229 unq 1 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 numMergedOcc 0
71 mol 229 unq 2 iso 0 dist 8.92743 7.27993 6.93188 15.7694 8.19603 14.1436 numMergedOcc 0
72 mol 229 unq 3 iso 0 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 numMergedOcc 0
73 mol 229 unq 4 iso 0 dist 5.77318 6.95201 6.93188 5.5729 8.08082 11.0297 numMergedOcc 0
74 mol 229 unq 5 iso 0 dist 5.77318 6.95201 6.93188 9.96077 8.19603 14.1436 numMergedOcc 0
75 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 9.82284 7.56091 16.672 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 7.5366 7.81215 11.0592 5.88703 8.24186 11.6391 numMergedOcc 0
77 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 5.40359 6.66971 11.1059 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 6.4398 8.82351 6.22195 10.1648 7.32982 12.7605 numMergedOcc 0
79 mol 238 unq 2 iso 0 dist 7.32982 9.72188 13.0611 10.0191 6.66971 14.4013 numMergedOcc 0
80 mol 238 unq 3 iso 0 dist 7.32982 9.72188 13.0611 10.1648 6.4398 11.1002 numMergedOcc 0
81 mol 238 unq 4 iso 0 dist 5.64181 9.08509 6.94907 6.85126 7.61393 11.9549 numMergedOcc 0
82 mol 238 unq 5 iso 0 dist 7.61393 9.06592 9.9447 6.85126 5.64181 13.3867 numMergedOcc 0
83 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 5.55137 9.77666 9.33962 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 9.98105 8.59697 6.9899 numMergedOcc 0
85 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 9.98105 8.59697 10.4017 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 8.59697 8.03219 4.67584 9.98105 8.55558 11.7465 numMergedOcc 0
87 mol 259 unq 3 iso 0 dist 8.59697 6.9899 7.32929 9.98105 8.55558 5.85442 numMergedOcc 0
88 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 numMergedOcc 0
89 mol 264 unq 1 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 numMergedOcc 0
90 mol 264 unq 2 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 numMergedOcc 0
91 mol 264 unq 3 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 numMergedOcc 0
92 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.59123 9.65707 10.4733 numMergedOcc 0
