0 mol 38 unq 0 iso 0 dist 9.23576 4.57886 7.26639 7.10133 8.83233 8.71152 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.56737 5.04521 8.96727 13.6875 7.17488 10.5853 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.56737 10.2341 8.01308 13.6875 7.17488 5.11422 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 8.33083 12.2162 6.00603 12.2092 4.42563 3.17342 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.29026 5.04019 6.69691 6.14663 7.97548 9.74071 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.29026 5.04019 6.69691 5.32811 9.64164 6.92699 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 6.29026 4.79473 5.51197 6.14663 7.97548 9.87781 numMergedOcc 0
7 mol 129 unq 3 iso 0 dist 6.29026 4.79473 5.51197 5.32811 9.64164 9.93375 numMergedOcc 0
8 mol 129 unq 4 iso 0 dist 6.29026 10.1802 8.86944 6.14663 7.97548 13.8096 numMergedOcc 0
9 mol 129 unq 5 iso 0 dist 6.29026 10.1802 8.86944 5.32811 9.64164 11.221 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.42756 10.189 8.07097 6.97119 7.46621 8.53163 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.89982 9.0696 6.59889 4.19899 7.55934 5.12696 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.89982 9.83062 8.9192 4.19899 7.55934 6.04238 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.00898 14.8552 9.63417 10.8953 9.19156 14.8784 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.0974 9.80877 9.11204 12.4011 4.72821 9.56928 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.43584 14.6356 6.49765 14.8213 9.31158 6.49396 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 4.58599 9.45322 8.22569 10.5963 9.09354 10.3403 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 4.58599 9.45322 8.22569 5.36904 4.66576 5.45331 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 8.78568 6.81831 8.22569 13.711 9.09354 10.3403 numMergedOcc 0
19 mol 213 unq 3 iso 0 dist 8.78568 6.81831 8.22569 4.84414 4.66576 5.45331 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 5.36776 11.9011 8.83833 12.8843 9.6834 9.14227 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.02914 13.3706 5.46926 11.5613 7.42932 5.9732 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 9.02914 12.1739 5.13913 11.5613 7.42932 3.79766 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 6.90434 8.51268 9.35539 11.5613 4.9764 13.2853 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 6.90434 8.51268 9.35539 13.0566 6.36559 12.4985 numMergedOcc 0
25 mol 277 unq 4 iso 0 dist 6.90434 13.3706 8.9682 11.5613 4.9764 5.9732 numMergedOcc 0
26 mol 277 unq 5 iso 0 dist 6.90434 13.3706 8.9682 13.0566 6.36559 8.61922 numMergedOcc 0
27 mol 277 unq 6 iso 0 dist 6.90434 12.1739 6.92711 11.5613 4.9764 3.79766 numMergedOcc 0
28 mol 277 unq 7 iso 0 dist 6.90434 12.1739 6.92711 13.0566 6.36559 7.07613 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.71213 13.9922 7.80862 3.97296 6.71946 10.2856 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 8.71213 13.9922 7.80862 11.6681 8.28061 8.89122 numMergedOcc 0
31 mol 285 unq 2 iso 0 dist 8.71213 13.9922 7.80862 10.6606 5.03601 4.98469 numMergedOcc 0
