0 mol 63 unq 0 iso 0 dist 7.14979 9.84668 7.43519 6.0662 7.8595 6.91113 5.15367 7.44913 10.5679 10.0595 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 7.85115 11.4876 8.02001 5.40051 7.66418 10.9047 11.5009 numMergedOcc 0
2 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 7.85115 11.2795 8.02001 5.40051 8.078 10.9047 11.5009 numMergedOcc 0
3 mol 103 unq 2 iso 0 dist 8.70106 5.94478 10.2138 7.85115 11.2795 8.02001 14.0531 6.56481 16.4062 15.0168 numMergedOcc 0
4 mol 136 unq 0 iso 0 dist 9.67457 6.53519 10.4141 7.75661 6.80938 4.22085 6.29723 8.41727 11.8469 11.0132 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 7.91749 3.54257 6.77599 6.76353 8.6953 12.9544 9.0735 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 8.60157 7.38138 11.2162 7.91749 3.54257 10.2375 6.76353 8.6953 13.8436 9.0735 numMergedOcc 0
7 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 7.91749 8.03052 6.77599 6.76353 9.18753 12.9544 9.0735 numMergedOcc 0
8 mol 148 unq 3 iso 0 dist 6.72591 7.38138 10.5987 7.91749 8.03052 10.2375 6.76353 9.18753 13.8436 9.0735 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 7.96309 3.59609 6.74495 6.65519 8.65967 12.8058 9.03593 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 8.59359 7.34423 11.2566 7.96309 3.59609 10.2651 6.65519 8.65967 13.7265 9.03593 numMergedOcc 0
11 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 7.96309 8.06512 6.74495 6.65519 9.15244 12.8058 9.03593 numMergedOcc 0
12 mol 150 unq 3 iso 0 dist 6.80192 7.34423 10.4881 7.96309 8.06512 10.2651 6.65519 9.15244 13.7265 9.03593 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 4.80508 7.82494 6.81208 13.5755 9.38856 14.2165 16.1133 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 6.45502 8.1504 5.16728 4.88625 5.34159 5.74997 13.5755 9.38856 14.2165 13.1934 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 8.43599 5.28013 11.1685 4.60682 8.27913 10.8493 9.75791 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 8.43599 5.89583 11.1685 4.60682 8.85111 10.8493 9.75791 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 8.42665 9.82858 12.1342 4.64973 6.2016 13.125 7.97601 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 8.42665 9.82858 12.1342 6.57816 8.3453 12.5081 13.1706 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 7.48253 11.4181 4.27652 17.1351 9.87574 21.083 21.1794 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 7.81831 6.49466 7.79075 13.587 4.36421 14.4648 10.5407 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 9.97709 16.9357 9.89329 6.40983 7.60807 11.5159 16.1098 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 8.0652 6.24808 5.88008 9.97709 16.9357 12.1499 6.40983 7.60807 10.1908 16.1098 numMergedOcc 0
