0 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 5.41726 6.6263 13.07 10.0168 10.8828 14.3756 8.34145 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 5.41726 6.75943 13.07 10.0168 5.07458 14.3756 8.34145 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.64443 8.36431 12.4284 5.31547 9.36001 13.3865 12.8197 6.77937 17.3859 9.99441 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.00433 8.52024 9.74008 7.07971 4.69373 5.15674 9.09348 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 6.95773 6.24825 10.8109 6.39384 6.63111 6.49835 7.65564 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.33865 7.64585 10.2377 6.95773 6.24825 7.65255 6.39384 6.63111 5.65471 7.65564 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 6.24825 6.95773 5.78043 7.65564 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.83991 8.66155 6.09023 6.01673 6.24825 10.8109 9.42082 6.63111 6.49835 7.65564 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 6.24825 6.01673 5.78043 7.65564 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 6.11741 6.99777 10.8292 6.07067 6.39384 12.9982 10.0255 6.95773 15.7303 7.65564 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 6.11741 9.14376 6.12943 6.07067 6.39384 10.7985 10.0255 6.95773 6.70178 7.65564 numMergedOcc 0
11 mol 115 unq 7 iso 0 dist 7.88312 6.99777 11.7126 6.07067 9.42082 12.9982 10.0255 6.01673 15.7303 7.65564 numMergedOcc 0
12 mol 115 unq 8 iso 0 dist 7.88312 9.14376 4.62962 6.07067 9.42082 10.7985 10.0255 6.01673 6.70178 7.65564 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 4.97996 6.93139 10.1252 10.4778 7.21225 11.4437 7.5573 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 4.97996 6.93139 10.5067 10.4778 7.21225 12.8589 7.5573 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.41373 9.33094 11.7151 7.21868 8.06642 5.67107 8.62504 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 10.8635 9.33094 11.7151 7.93372 8.06642 5.67107 8.62504 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 12.3479 9.33094 11.7151 11.988 8.06642 5.67107 8.62504 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 7.41373 8.69531 11.7151 7.21868 4.00092 5.67107 8.62504 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 9.71307 5.42582 6.17103 10.8635 8.69531 11.7151 7.93372 4.00092 5.67107 8.62504 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 6.42973 7.06025 12.6109 9.79683 10.8974 9.39881 7.86352 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 9.81178 5.42158 5.82984 9.92831 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.63312 6.93764 4.80231 5.93724 9.01624 10.1634 10.6106 5.42158 6.61708 9.92831 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 11.1534 7.46481 8.70987 18.5607 16.8346 17.0808 9.43017 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.21333 6.82208 12.2813 6.84862 5.56538 11.8745 12.0171 8.34852 13.6834 8.14294 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.21333 6.82208 12.2813 9.53117 7.48954 12.9858 12.0171 8.34852 13.6834 5.72 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 10.3659 4.03396 5.46368 8.55539 numMergedOcc 0
