0 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 12.2588 7.12903 9.03536 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.61158 12.2588 7.12903 7.63656 8.21493 9.03536 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 5.48395 5.47769 6.92781 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 9.05346 5.48395 5.47769 4.78943 7.03948 6.92781 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.05346 4.78943 7.03948 10.1011 6.58035 10.7015 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 9.05346 10.1011 6.58035 4.78943 7.03948 10.7015 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 9.05346 5.48395 5.47769 10.1011 6.58035 5.32694 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 9.05346 10.1011 6.58035 5.48395 5.47769 5.32694 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 4.09495 9.16962 13.2136 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 8.62693 4.09495 9.16962 10.2609 8.82012 13.2136 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 3.97343 6.99355 7.60026 numMergedOcc 0
11 mol 90 unq 0 iso 1 dist 9.30724 3.97343 6.99355 9.43289 8.39016 7.60026 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 4.32564 7.06013 5.02055 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 7.57958 4.32564 7.06013 4.71849 5.81965 5.02055 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.57958 4.71849 5.81965 13.6329 9.70512 8.95922 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 7.57958 13.6329 9.70512 4.71849 5.81965 8.95922 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 7.57958 4.32564 7.06013 13.6329 9.70512 12.4494 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 7.57958 13.6329 9.70512 4.32564 7.06013 12.4494 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.90328 10.071 9.39469 5.89399 4.76815 6.90824 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 7.90328 5.89399 4.76815 10.071 9.39469 6.90824 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 5.27151 7.63616 7.22206 numMergedOcc 0
21 mol 117 unq 0 iso 1 dist 9.58171 5.27151 7.63616 10.4485 6.62561 7.22206 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 5.85391 9.63176 11.6667 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 8.95838 5.85391 9.63176 7.38295 7.39889 11.6667 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 11.0075 7.44174 11.3169 numMergedOcc 0
25 mol 119 unq 1 iso 1 dist 8.95838 11.0075 7.44174 7.38295 7.39889 11.3169 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.95838 5.85391 9.63176 11.0075 7.44174 12.4603 numMergedOcc 0
27 mol 119 unq 1 iso 1 dist 8.95838 11.0075 7.44174 5.85391 9.63176 12.4603 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.47892 9.58951 7.39889 18.2257 9.63176 11.6667 numMergedOcc 0
29 mol 119 unq 2 iso 1 dist 9.47892 18.2257 9.63176 9.58951 7.39889 11.6667 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 9.47892 9.58951 7.39889 9.93013 7.44174 11.3169 numMergedOcc 0
31 mol 119 unq 3 iso 1 dist 9.47892 9.93013 7.44174 9.58951 7.39889 11.3169 numMergedOcc 0
32 mol 119 unq 3 iso 0 dist 9.47892 18.2257 9.63176 9.93013 7.44174 12.4603 numMergedOcc 0
33 mol 119 unq 3 iso 1 dist 9.47892 9.93013 7.44174 18.2257 9.63176 12.4603 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 9.90096 4.29914 8.6243 5.59449 6.91348 6.63273 numMergedOcc 0
35 mol 131 unq 0 iso 1 dist 9.90096 5.59449 6.91348 4.29914 8.6243 6.63273 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 10.5005 7.7056 5.72828 numMergedOcc 0
37 mol 143 unq 0 iso 1 dist 9.43335 10.5005 7.7056 5.69675 7.31468 5.72828 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 9.9492 9.79072 7.31468 5.80488 7.7056 5.72828 numMergedOcc 0
39 mol 143 unq 1 iso 1 dist 9.9492 5.80488 7.7056 9.79072 7.31468 5.72828 numMergedOcc 0
40 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 10.1253 9.87281 10.6882 numMergedOcc 0
41 mol 155 unq 0 iso 1 dist 9.16944 10.1253 9.87281 5.01118 9.17284 10.6882 numMergedOcc 0
42 mol 155 unq 1 iso 0 dist 9.16944 5.01118 9.17284 9.88413 8.87452 12.1545 numMergedOcc 0
43 mol 155 unq 1 iso 1 dist 9.16944 9.88413 8.87452 5.01118 9.17284 12.1545 numMergedOcc 0
44 mol 155 unq 1 iso 0 dist 9.16944 10.1253 9.87281 9.88413 8.87452 4.66274 numMergedOcc 0
45 mol 155 unq 1 iso 1 dist 9.16944 9.88413 8.87452 10.1253 9.87281 4.66274 numMergedOcc 0
46 mol 155 unq 2 iso 0 dist 8.02593 5.01007 7.39644 9.80448 7.36102 10.7616 numMergedOcc 0
47 mol 155 unq 2 iso 1 dist 8.02593 9.80448 7.36102 5.01007 7.39644 10.7616 numMergedOcc 0
48 mol 155 unq 3 iso 0 dist 8.77391 12.7814 7.39644 4.94973 7.36102 10.7616 numMergedOcc 0
49 mol 155 unq 3 iso 1 dist 8.77391 4.94973 7.36102 12.7814 7.39644 10.7616 numMergedOcc 0
50 mol 155 unq 4 iso 0 dist 7.62575 14.7279 9.86313 10.4606 7.51198 5.71071 numMergedOcc 0
51 mol 155 unq 4 iso 1 dist 7.62575 10.4606 7.51198 14.7279 9.86313 5.71071 numMergedOcc 0
52 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 10.8336 6.98095 4.83994 numMergedOcc 0
53 mol 173 unq 0 iso 1 dist 9.56248 10.8336 6.98095 8.11337 7.93331 4.83994 numMergedOcc 0
54 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 10.6484 8.31897 5.16343 numMergedOcc 0
55 mol 173 unq 1 iso 1 dist 9.56248 10.6484 8.31897 8.11337 7.93331 5.16343 numMergedOcc 0
56 mol 173 unq 1 iso 0 dist 9.56248 10.8336 6.98095 10.6484 8.31897 8.17887 numMergedOcc 0
57 mol 173 unq 1 iso 1 dist 9.56248 10.6484 8.31897 10.8336 6.98095 8.17887 numMergedOcc 0
58 mol 183 unq 0 iso 0 dist 7.42108 4.81807 9.93083 7.79648 7.01383 6.64382 numMergedOcc 0
59 mol 183 unq 0 iso 1 dist 7.42108 7.79648 7.01383 4.81807 9.93083 6.64382 numMergedOcc 0
60 mol 183 unq 1 iso 0 dist 9.19941 7.68618 9.93083 6.50505 7.01383 6.64382 numMergedOcc 0
61 mol 183 unq 1 iso 1 dist 9.19941 6.50505 7.01383 7.68618 9.93083 6.64382 numMergedOcc 0
62 mol 194 unq 0 iso 0 dist 7.52171 10.2633 6.47873 4.57265 8.38695 8.48054 numMergedOcc 0
63 mol 194 unq 0 iso 1 dist 7.52171 4.57265 8.38695 10.2633 6.47873 8.48054 numMergedOcc 0
64 mol 218 unq 0 iso 0 dist 7.90156 11.7195 7.17547 4.67327 7.13323 7.83217 numMergedOcc 0
65 mol 218 unq 0 iso 1 dist 7.90156 4.67327 7.13323 11.7195 7.17547 7.83217 numMergedOcc 0
66 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 12.0243 9.62952 4.96364 numMergedOcc 0
67 mol 232 unq 0 iso 1 dist 7.79085 12.0243 9.62952 12.6449 7.07392 4.96364 numMergedOcc 0
68 mol 232 unq 1 iso 0 dist 6.48753 10.0878 7.07392 9.58249 9.62952 4.96364 numMergedOcc 0
69 mol 232 unq 1 iso 1 dist 6.48753 9.58249 9.62952 10.0878 7.07392 4.96364 numMergedOcc 0
70 mol 232 unq 2 iso 0 dist 7.83802 8.32185 7.07392 8.24395 9.62952 4.96364 numMergedOcc 0
71 mol 232 unq 2 iso 1 dist 7.83802 8.24395 9.62952 8.32185 7.07392 4.96364 numMergedOcc 0
72 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 4.15973 5.34718 7.28249 numMergedOcc 0
73 mol 236 unq 0 iso 1 dist 6.98151 4.15973 5.34718 11.2013 7.17676 7.28249 numMergedOcc 0
74 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 14.9782 6.55759 5.42006 numMergedOcc 0
75 mol 238 unq 0 iso 1 dist 9.94175 14.9782 6.55759 13.8985 5.38637 5.42006 numMergedOcc 0
76 mol 238 unq 1 iso 0 dist 8.81534 5.33567 5.38637 9.85437 6.55759 5.42006 numMergedOcc 0
77 mol 238 unq 1 iso 1 dist 8.81534 9.85437 6.55759 5.33567 5.38637 5.42006 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 9.77231 15.3161 9.68513 9.18011 9.29858 10.1648 numMergedOcc 0
79 mol 238 unq 2 iso 1 dist 9.77231 9.18011 9.29858 15.3161 9.68513 10.1648 numMergedOcc 0
80 mol 238 unq 3 iso 0 dist 6.24435 6.76977 6.05141 10.4548 8.09066 5.6348 numMergedOcc 0
81 mol 238 unq 3 iso 1 dist 6.24435 10.4548 8.09066 6.76977 6.05141 5.6348 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 6.24435 6.76977 6.05141 10.7712 7.2766 8.87326 numMergedOcc 0
83 mol 238 unq 4 iso 1 dist 6.24435 10.7712 7.2766 6.76977 6.05141 8.87326 numMergedOcc 0
84 mol 238 unq 4 iso 0 dist 6.24435 10.4548 8.09066 10.7712 7.2766 5.31152 numMergedOcc 0
85 mol 238 unq 4 iso 1 dist 6.24435 10.7712 7.2766 10.4548 8.09066 5.31152 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.7699 8.37865 12.5353 numMergedOcc 0
87 mol 259 unq 0 iso 1 dist 9.53092 12.7699 8.37865 4.77548 7.48005 12.5353 numMergedOcc 0
88 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 14.3567 7.32347 5.39891 numMergedOcc 0
89 mol 282 unq 0 iso 1 dist 9.20119 14.3567 7.32347 12.5533 6.85028 5.39891 numMergedOcc 0
90 mol 282 unq 1 iso 0 dist 9.20119 12.5533 6.85028 6.32603 8.3411 7.76539 numMergedOcc 0
91 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 12.5533 6.85028 7.76539 numMergedOcc 0
92 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 6.32603 8.3411 10.5372 numMergedOcc 0
93 mol 282 unq 1 iso 1 dist 9.20119 6.32603 8.3411 14.3567 7.32347 10.5372 numMergedOcc 0
94 mol 282 unq 2 iso 0 dist 8.96997 4.64783 6.85028 10.0286 7.32347 5.39891 numMergedOcc 0
95 mol 282 unq 2 iso 1 dist 8.96997 10.0286 7.32347 4.64783 6.85028 5.39891 numMergedOcc 0
96 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 7.65702 8.3411 7.76539 numMergedOcc 0
97 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 4.64783 6.85028 7.76539 numMergedOcc 0
98 mol 282 unq 3 iso 0 dist 8.96997 10.0286 7.32347 7.65702 8.3411 10.5372 numMergedOcc 0
99 mol 282 unq 3 iso 1 dist 8.96997 7.65702 8.3411 10.0286 7.32347 10.5372 numMergedOcc 0
