0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 9.76946 3.77561 5.95165 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.95165 3.77561 4.61088 9.76946 4.73237 6.89666 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 8.13983 5.63648 6.38364 11.2455 5.45641 6.87018 numMergedOcc 0
3 mol 14 unq 0 iso 1 dist 6.87018 5.45641 6.38364 11.2455 5.63648 8.13983 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.45858 4.05028 6.38364 8.25832 5.45641 6.87018 numMergedOcc 0
5 mol 14 unq 1 iso 1 dist 6.87018 5.45641 6.38364 8.25832 4.05028 6.45858 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 10.406 5.48395 6.36377 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 6.36377 5.48395 6.31718 10.406 4.2139 9.76968 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.40051 14.4191 7.17969 13.0464 5.59268 8.88413 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 8.88413 5.59268 7.17969 13.0464 14.4191 8.40051 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 12.5689 5.3315 6.88695 numMergedOcc 0
11 mol 26 unq 0 iso 1 dist 6.88695 5.3315 8.34347 12.5689 15.0931 9.7522 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 4.67917 5.29688 6.65344 numMergedOcc 0
13 mol 59 unq 0 iso 1 dist 6.65344 5.29688 6.85766 4.67917 5.34079 8.05508 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 8.85372 9.64576 7.38797 11.7205 4.93292 7.35142 numMergedOcc 0
15 mol 71 unq 0 iso 1 dist 7.35142 4.93292 7.38797 11.7205 9.64576 8.85372 numMergedOcc 0
16 mol 71 unq 1 iso 0 dist 8.85372 9.64576 7.38797 11.8422 6.53623 9.50139 numMergedOcc 0
17 mol 71 unq 1 iso 1 dist 9.50139 6.53623 7.38797 11.8422 9.64576 8.85372 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 10.8042 5.28901 5.02717 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 5.02717 5.28901 7.30858 10.8042 8.25001 9.35868 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 14.7907 10.9437 4.98864 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 4.98864 10.9437 7.88312 14.7907 11.0268 5.02717 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 16.7534 12.0354 7.95871 numMergedOcc 0
23 mol 115 unq 2 iso 1 dist 7.95871 12.0354 7.88312 16.7534 11.0268 5.02717 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 12.2899 11.4498 7.81337 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 7.81337 11.4498 6.85062 12.2899 5.59449 6.31125 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 7.12336 6.26797 5.86531 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 5.86531 6.26797 7.11802 7.12336 5.37072 9.50322 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 7.12336 9.73435 5.86531 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 5.86531 9.73435 8.00618 7.12336 5.37072 5.82404 numMergedOcc 0
30 mol 196 unq 0 iso 0 dist 6.87731 4.59462 9.62191 7.556 6.70722 9.99314 numMergedOcc 0
31 mol 196 unq 0 iso 1 dist 9.99314 6.70722 9.62191 7.556 4.59462 6.87731 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 10.9808 16.4881 9.55777 numMergedOcc 0
33 mol 222 unq 0 iso 1 dist 9.55777 16.4881 7.21333 10.9808 4.82768 7.85877 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 8.92054 5.23741 8.48065 numMergedOcc 0
35 mol 235 unq 0 iso 1 dist 8.48065 5.23741 5.4638 8.92054 6.84447 9.11256 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 12.1257 7.38431 7.08539 numMergedOcc 0
37 mol 235 unq 1 iso 1 dist 7.08539 7.38431 5.4638 12.1257 5.23741 8.48065 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.1162 3.82437 8.90987 numMergedOcc 0
39 mol 236 unq 0 iso 1 dist 8.90987 3.82437 6.84306 11.1162 4.38595 9.89665 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 9.05929 4.38595 8.35971 11.1162 16.8883 8.90987 numMergedOcc 0
41 mol 236 unq 1 iso 1 dist 8.90987 16.8883 8.35971 11.1162 4.38595 9.05929 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 8.90987 13.8124 9.99038 14.4736 11.2013 5.66569 numMergedOcc 0
43 mol 236 unq 1 iso 1 dist 5.66569 11.2013 9.99038 14.4736 13.8124 8.90987 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 8.90987 13.8124 9.99038 18.1269 15.1664 6.11137 numMergedOcc 0
45 mol 236 unq 2 iso 1 dist 6.11137 15.1664 9.99038 18.1269 13.8124 8.90987 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 13.7774 10.3859 9.13537 numMergedOcc 0
47 mol 238 unq 0 iso 1 dist 9.13537 10.3859 6.57393 13.7774 5.33567 6.24928 numMergedOcc 0
48 mol 241 unq 0 iso 0 dist 8.40773 6.72492 7.4631 9.40808 7.20238 9.10633 numMergedOcc 0
49 mol 241 unq 0 iso 1 dist 9.10633 7.20238 7.4631 9.40808 6.72492 8.40773 numMergedOcc 0
50 mol 241 unq 1 iso 0 dist 9.18476 9.87799 7.4631 15.6286 7.20238 9.10633 numMergedOcc 0
51 mol 241 unq 1 iso 1 dist 9.10633 7.20238 7.4631 15.6286 9.87799 9.18476 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 9.05363 6.64729 8.06771 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 8.06771 6.64729 8.13497 9.05363 10.4985 5.90645 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 5.30455 8.70769 6.42725 numMergedOcc 0
55 mol 259 unq 1 iso 1 dist 6.42725 8.70769 5.30224 5.30455 5.59901 9.12507 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 11.229 3.93713 8.19504 numMergedOcc 0
57 mol 264 unq 0 iso 1 dist 8.19504 3.93713 6.24356 11.229 8.55312 8.43858 numMergedOcc 0
58 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 12.7106 8.04474 9.30668 numMergedOcc 0
59 mol 292 unq 0 iso 1 dist 9.30668 8.04474 8.2734 12.7106 5.26243 9.20416 numMergedOcc 0
60 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 8.35169 8.04474 9.30668 numMergedOcc 0
61 mol 292 unq 1 iso 1 dist 9.30668 8.04474 8.2734 8.35169 5.58251 7.53641 numMergedOcc 0
