0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 9.04027 7.03689 9.77707 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 4.88114 9.04027 7.03689 6.12485 9.84838 9.77707 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 7.34681 9.4204 11.0023 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.26685 7.34681 9.4204 9.5937 5.4483 11.0023 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.38928 9.40644 8.74683 5.35252 5.03338 5.43494 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 7.38928 5.35252 5.03338 9.40644 8.74683 5.43494 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 9.75299 8.49962 4.78627 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 7.8986 9.75299 8.49962 8.52643 7.05519 4.78627 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 7.24183 5.41357 7.05519 9.30042 8.49962 4.78627 numMergedOcc 0
9 mol 64 unq 1 iso 1 dist 7.24183 9.30042 8.49962 5.41357 7.05519 4.78627 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 9.47045 9.95663 8.96403 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 5.92936 9.47045 9.95663 7.48556 4.97519 8.96403 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.92936 7.48556 4.97519 8.68218 6.87319 7.99821 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 5.92936 8.68218 6.87319 7.48556 4.97519 7.99821 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 5.92936 9.47045 9.95663 8.68218 6.87319 4.84196 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 5.92936 8.68218 6.87319 9.47045 9.95663 4.84196 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.4438 7.58027 9.96367 4.34694 9.65371 3.73929 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 8.4438 4.34694 9.65371 7.58027 9.96367 3.73929 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.63748 7.43534 10.445 numMergedOcc 0
19 mol 87 unq 0 iso 1 dist 9.10245 5.63748 7.43534 9.90256 5.83874 10.445 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 7.81042 8.078 8.96379 6.56481 5.73608 11.6637 numMergedOcc 0
21 mol 103 unq 0 iso 1 dist 7.81042 6.56481 5.73608 8.078 8.96379 11.6637 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 9.9171 8.53976 5.17212 numMergedOcc 0
23 mol 140 unq 0 iso 1 dist 8.05043 9.9171 8.53976 7.60956 4.8476 5.17212 numMergedOcc 0
24 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 6.86212 8.83633 9.76045 numMergedOcc 0
25 mol 159 unq 0 iso 1 dist 7.60912 6.86212 8.83633 9.54337 6.50839 9.76045 numMergedOcc 0
26 mol 159 unq 1 iso 0 dist 7.60912 9.54337 6.50839 9.9368 13.4546 14.3749 numMergedOcc 0
27 mol 159 unq 1 iso 1 dist 7.60912 9.9368 13.4546 9.54337 6.50839 14.3749 numMergedOcc 0
28 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 9.9368 13.4546 4.82545 numMergedOcc 0
29 mol 159 unq 1 iso 1 dist 7.60912 9.9368 13.4546 6.86212 8.83633 4.82545 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 9.40718 5.15002 12.0946 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 6.47689 9.40718 5.15002 8.92801 7.11585 12.0946 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 7.69421 8.29364 6.39127 8.97652 9.01399 5.77399 numMergedOcc 0
33 mol 183 unq 0 iso 1 dist 7.69421 8.97652 9.01399 8.29364 6.39127 5.77399 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 8.72949 8.01622 10.4327 numMergedOcc 0
35 mol 186 unq 0 iso 1 dist 7.02662 8.72949 8.01622 6.72718 6.12748 10.4327 numMergedOcc 0
36 mol 189 unq 0 iso 0 dist 7.04604 6.77641 9.94485 7.54658 4.92169 6.4062 numMergedOcc 0
37 mol 189 unq 0 iso 1 dist 7.04604 7.54658 4.92169 6.77641 9.94485 6.4062 numMergedOcc 0
38 mol 189 unq 1 iso 0 dist 5.11059 9.95686 4.92169 9.47321 8.03657 10.4321 numMergedOcc 0
39 mol 189 unq 1 iso 1 dist 5.11059 9.47321 8.03657 9.95686 4.92169 10.4321 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 8.3453 5.1366 6.63296 numMergedOcc 0
41 mol 192 unq 0 iso 1 dist 7.30965 8.3453 5.1366 6.2016 5.21255 6.63296 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.57174 14.3078 15.5559 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 7.86207 8.57174 14.3078 9.89039 9.09963 15.5559 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 7.57712 5.25149 10.1832 8.6368 13.4455 11.0459 numMergedOcc 0
45 mol 220 unq 1 iso 1 dist 7.57712 8.6368 13.4455 5.25149 10.1832 11.0459 numMergedOcc 0
46 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 8.6368 8.70221 11.0459 numMergedOcc 0
47 mol 220 unq 2 iso 1 dist 7.20255 8.6368 8.70221 5.25149 9.96224 11.0459 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 8.87456 8.36102 4.71901 numMergedOcc 0
49 mol 223 unq 0 iso 1 dist 9.29204 8.87456 8.36102 6.97426 4.73988 4.71901 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 9.14789 6.97426 4.78255 8.87456 5.43913 4.71901 numMergedOcc 0
51 mol 223 unq 1 iso 1 dist 9.14789 8.87456 5.43913 6.97426 4.78255 4.71901 numMergedOcc 0
52 mol 223 unq 2 iso 0 dist 7.80764 6.97426 12.6805 8.87456 13.9763 4.71901 numMergedOcc 0
53 mol 223 unq 2 iso 1 dist 7.80764 8.87456 13.9763 6.97426 12.6805 4.71901 numMergedOcc 0
54 mol 223 unq 3 iso 0 dist 5.75896 6.97426 10.6184 8.87456 13.8469 4.71901 numMergedOcc 0
55 mol 223 unq 3 iso 1 dist 5.75896 8.87456 13.8469 6.97426 10.6184 4.71901 numMergedOcc 0
56 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 8.86185 8.20191 15.9311 numMergedOcc 0
57 mol 239 unq 0 iso 1 dist 6.00654 8.86185 8.20191 9.01071 12.178 15.9311 numMergedOcc 0
58 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 7.79787 13.4155 12.5222 numMergedOcc 0
59 mol 244 unq 0 iso 1 dist 6.51428 7.79787 13.4155 7.43391 4.69664 12.5222 numMergedOcc 0
60 mol 245 unq 0 iso 0 dist 7.26913 9.96585 6.25662 7.27022 4.38291 5.15551 numMergedOcc 0
61 mol 245 unq 0 iso 1 dist 7.26913 7.27022 4.38291 9.96585 6.25662 5.15551 numMergedOcc 0
62 mol 245 unq 1 iso 0 dist 7.26913 9.96585 6.25662 7.95061 11.8346 14.3262 numMergedOcc 0
63 mol 245 unq 1 iso 1 dist 7.26913 7.95061 11.8346 9.96585 6.25662 14.3262 numMergedOcc 0
64 mol 245 unq 1 iso 0 dist 7.26913 7.27022 4.38291 7.95061 11.8346 9.67137 numMergedOcc 0
65 mol 245 unq 1 iso 1 dist 7.26913 7.95061 11.8346 7.27022 4.38291 9.67137 numMergedOcc 0
66 mol 245 unq 2 iso 0 dist 6.41862 9.96585 14.6391 7.27022 10.1523 5.15551 numMergedOcc 0
67 mol 245 unq 2 iso 1 dist 6.41862 7.27022 10.1523 9.96585 14.6391 5.15551 numMergedOcc 0
68 mol 245 unq 3 iso 0 dist 6.41862 9.96585 14.6391 7.95061 3.53109 14.3262 numMergedOcc 0
69 mol 245 unq 3 iso 1 dist 6.41862 7.95061 3.53109 9.96585 14.6391 14.3262 numMergedOcc 0
70 mol 245 unq 3 iso 0 dist 6.41862 7.27022 10.1523 7.95061 3.53109 9.67137 numMergedOcc 0
71 mol 245 unq 3 iso 1 dist 6.41862 7.95061 3.53109 7.27022 10.1523 9.67137 numMergedOcc 0
72 mol 245 unq 4 iso 0 dist 8.69377 9.96585 17.4904 7.27022 13.6404 5.15551 numMergedOcc 0
73 mol 245 unq 4 iso 1 dist 8.69377 7.27022 13.6404 9.96585 17.4904 5.15551 numMergedOcc 0
74 mol 245 unq 5 iso 0 dist 8.69377 9.96585 17.4904 7.95061 9.71014 14.3262 numMergedOcc 0
75 mol 245 unq 5 iso 1 dist 8.69377 7.95061 9.71014 9.96585 17.4904 14.3262 numMergedOcc 0
76 mol 245 unq 5 iso 0 dist 8.69377 7.27022 13.6404 7.95061 9.71014 9.67137 numMergedOcc 0
77 mol 245 unq 5 iso 1 dist 8.69377 7.95061 9.71014 7.27022 13.6404 9.67137 numMergedOcc 0
78 mol 245 unq 6 iso 0 dist 8.26223 8.0848 4.03241 9.5096 4.20594 7.00614 numMergedOcc 0
79 mol 245 unq 6 iso 1 dist 8.26223 9.5096 4.20594 8.0848 4.03241 7.00614 numMergedOcc 0
80 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 8.00386 10.9665 6.79958 numMergedOcc 0
81 mol 249 unq 0 iso 1 dist 7.58833 8.00386 10.9665 3.67935 4.88298 6.79958 numMergedOcc 0
82 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 8.00386 5.52082 6.79958 numMergedOcc 0
83 mol 249 unq 1 iso 1 dist 9.04715 8.00386 5.52082 3.67935 5.75331 6.79958 numMergedOcc 0
84 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 7.25618 11.0025 5.31174 numMergedOcc 0
85 mol 258 unq 0 iso 1 dist 6.08181 7.25618 11.0025 8.10903 10.8957 5.31174 numMergedOcc 0
86 mol 258 unq 1 iso 0 dist 7.70189 8.10903 5.27718 7.25618 9.46467 5.31174 numMergedOcc 0
87 mol 258 unq 1 iso 1 dist 7.70189 7.25618 9.46467 8.10903 5.27718 5.31174 numMergedOcc 0
88 mol 259 unq 0 iso 0 dist 8.91916 8.54422 6.40534 7.67473 9.57286 4.85022 numMergedOcc 0
89 mol 259 unq 0 iso 1 dist 8.91916 7.67473 9.57286 8.54422 6.40534 4.85022 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 4.55368 8.54422 6.14631 7.67473 6.89689 4.85022 numMergedOcc 0
91 mol 259 unq 1 iso 1 dist 4.55368 7.67473 6.89689 8.54422 6.14631 4.85022 numMergedOcc 0
92 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 9.72159 4.97878 10.4196 numMergedOcc 0
93 mol 261 unq 0 iso 1 dist 9.70222 9.72159 4.97878 4.85199 10.6318 10.4196 numMergedOcc 0
94 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 6.89731 4.97878 10.4196 numMergedOcc 0
95 mol 261 unq 1 iso 1 dist 9.71882 6.89731 4.97878 9.13604 10.6318 10.4196 numMergedOcc 0
96 mol 261 unq 2 iso 0 dist 9.71882 9.13604 10.6318 9.85607 9.35886 10.8346 numMergedOcc 0
97 mol 261 unq 2 iso 1 dist 9.71882 9.85607 9.35886 9.13604 10.6318 10.8346 numMergedOcc 0
98 mol 261 unq 2 iso 0 dist 9.71882 6.89731 4.97878 9.85607 9.35886 5.65316 numMergedOcc 0
99 mol 261 unq 2 iso 1 dist 9.71882 9.85607 9.35886 6.89731 4.97878 5.65316 numMergedOcc 0
100 mol 266 unq 0 iso 0 dist 9.63694 6.57444 13.1376 7.9555 14.6225 5.77131 numMergedOcc 0
101 mol 266 unq 0 iso 1 dist 9.63694 7.9555 14.6225 6.57444 13.1376 5.77131 numMergedOcc 0
102 mol 266 unq 1 iso 0 dist 9.77392 9.0836 16.492 9.62494 18.9489 5.40028 numMergedOcc 0
103 mol 266 unq 1 iso 1 dist 9.77392 9.62494 18.9489 9.0836 16.492 5.40028 numMergedOcc 0
104 mol 266 unq 2 iso 0 dist 6.58277 6.57444 5.91091 7.9555 3.93133 5.77131 numMergedOcc 0
105 mol 266 unq 2 iso 1 dist 6.58277 7.9555 3.93133 6.57444 5.91091 5.77131 numMergedOcc 0
106 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 9.98886 4.68809 10.6828 numMergedOcc 0
107 mol 282 unq 0 iso 1 dist 8.61456 9.98886 4.68809 5.00258 9.80233 10.6828 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 6.81887 4.68809 10.6828 numMergedOcc 0
109 mol 282 unq 1 iso 1 dist 8.41041 6.81887 4.68809 8.22117 9.80233 10.6828 numMergedOcc 0
110 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 numMergedOcc 0
111 mol 287 unq 0 iso 1 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 numMergedOcc 0
112 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 numMergedOcc 0
113 mol 288 unq 0 iso 1 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 numMergedOcc 0
114 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 7.14859 8.13485 7.11169 numMergedOcc 0
115 mol 289 unq 0 iso 1 dist 8.0935 7.14859 8.13485 6.96774 10.4601 7.11169 numMergedOcc 0
