0 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 14.8978 7.84204 12.8511 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62693 4.09495 9.16962 14.8978 7.84204 15.962 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.17564 10.6918 6.23899 4.82623 7.92479 11.6713 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.17564 10.6918 6.23899 8.76577 7.86646 3.88148 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 7.19213 7.5168 6.23899 6.24283 7.92479 11.6713 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 7.19213 7.5168 6.23899 5.00893 7.86646 3.88148 numMergedOcc 0
6 mol 59 unq 4 iso 0 dist 6.94351 9.2891 6.23899 14.6444 7.92479 11.6713 numMergedOcc 0
7 mol 59 unq 5 iso 0 dist 6.94351 9.2891 6.23899 12.5693 7.86646 3.88148 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.15288 6.38702 8.30646 5.07418 7.03887 8.82915 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 9.15288 6.38702 8.30646 5.40359 5.36451 6.33118 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 9.15288 6.38702 8.30646 9.35997 9.28354 13.3135 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 9.4909 8.66126 8.30646 12.3912 7.03887 8.82915 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 9.4909 8.66126 8.30646 11.2645 5.36451 6.33118 numMergedOcc 0
13 mol 78 unq 5 iso 0 dist 9.4909 8.66126 8.30646 15.9147 9.28354 13.3135 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 9.07582 10.6118 7.87814 7.80434 5.82384 8.95695 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 5.82918 4.0486 9.2603 6.15983 9.08952 4.47193 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 9.79765 6.18681 4.79453 numMergedOcc 0
17 mol 90 unq 1 iso 0 dist 9.30724 9.43289 8.39016 8.32366 9.33288 7.5298 numMergedOcc 0
18 mol 90 unq 2 iso 0 dist 9.30724 3.97343 6.99355 9.79765 6.18681 6.34112 numMergedOcc 0
19 mol 90 unq 3 iso 0 dist 9.30724 3.97343 6.99355 8.32366 9.33288 4.87139 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 14.5838 7.03417 12.3859 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 7.57958 4.32564 7.06013 14.5838 7.03417 13.4866 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 7.57958 13.6329 9.70512 14.5838 7.03417 11.3622 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 6.64631 3.96825 8.67367 12.1081 9.51981 12.6805 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 5.44714 5.19652 6.81812 8.67805 5.45882 7.84907 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 5.44714 5.19652 6.81812 6.03962 4.57487 4.11536 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 9.78437 7.6321 6.96442 5.40104 5.96977 4.97363 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 8.0578 11.1675 7.20326 6.92687 9.86985 13.36 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 8.78982 6.7814 7.20326 10.5972 9.86985 13.36 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.41368 9.47799 6.71012 3.55808 7.61421 11.618 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.96182 9.09989 6.71012 6.33098 7.61421 11.618 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 7.90237 4.98009 6.71012 8.9845 7.61421 11.618 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 6.17129 4.3158 4.93785 3.59953 6.91878 6.13927 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 5.83596 4.3226 4.93785 9.61614 6.91878 6.13927 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 7.52171 10.2633 6.47873 3.48476 9.76225 11.7478 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 7.52171 4.57265 8.38695 3.48476 9.76225 3.77029 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 11.8425 9.6071 16.9912 numMergedOcc 0
37 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 12.2163 9.77656 11.9685 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 6.74777 5.29309 8.99696 10.0045 9.77656 11.9685 numMergedOcc 0
39 mol 197 unq 3 iso 0 dist 6.74777 5.29309 8.99696 13.1467 9.6071 16.9912 numMergedOcc 0
40 mol 197 unq 4 iso 0 dist 9.62514 4.57437 8.99696 8.82321 9.77656 11.9685 numMergedOcc 0
41 mol 197 unq 5 iso 0 dist 9.62514 4.57437 8.99696 15.1287 9.6071 16.9912 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 7.90156 11.7195 7.17547 9.16208 8.5244 14.5747 numMergedOcc 0
43 mol 218 unq 1 iso 0 dist 7.90156 4.67327 7.13323 9.16208 8.5244 11.7256 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 13.7353 8.49913 4.14873 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 7.79085 12.0243 9.62952 13.7353 8.49913 6.71567 numMergedOcc 0
46 mol 232 unq 2 iso 0 dist 6.48753 10.0878 7.07392 10.1969 8.49913 4.14873 numMergedOcc 0
47 mol 232 unq 3 iso 0 dist 6.48753 9.58249 9.62952 10.1969 8.49913 6.71567 numMergedOcc 0
48 mol 232 unq 4 iso 0 dist 7.83802 8.32185 7.07392 6.46773 8.49913 4.14873 numMergedOcc 0
49 mol 232 unq 5 iso 0 dist 7.83802 8.24395 9.62952 6.46773 8.49913 6.71567 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 8.19915 6.84447 8.21247 3.76405 9.11149 4.75609 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 8.46351 5.59901 7.76676 9.58753 9.61028 5.97386 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 4.21541 9.28024 6.65799 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 9.53092 12.7699 8.37865 4.21541 9.28024 9.53031 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 6.21206 11.2529 9.5784 11.7067 8.56867 11.147 numMergedOcc 0
55 mol 264 unq 1 iso 0 dist 6.21206 11.2529 9.5784 8.75534 6.29872 10.0018 numMergedOcc 0
56 mol 294 unq 0 iso 0 dist 7.12793 11.2287 7.34205 4.93923 9.33755 15.321 numMergedOcc 0
57 mol 294 unq 1 iso 0 dist 7.12793 11.2287 7.34205 10.0659 6.25334 9.80923 numMergedOcc 0
58 mol 294 unq 2 iso 0 dist 6.21208 6.45145 7.34205 10.6017 9.33755 15.321 numMergedOcc 0
59 mol 294 unq 3 iso 0 dist 6.21208 6.45145 7.34205 7.2873 6.25334 9.80923 numMergedOcc 0
