0 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 7.26957 9.53901 14.2564 3.93424 7.49423 11.0342 4.14243 numMergedOcc 0
1 mol 110 unq 0 iso 0 dist 9.35378 6.59361 8.6616 11.9918 8.97683 14.0808 3.32173 9.45247 9.10911 9.59418 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.30762 9.64856 5.29246 5.7687 7.8034 10.6529 4.51272 6.94015 11.6508 5.0614 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 6.30762 6.38977 8.25445 5.7687 7.8034 9.33945 4.51272 6.94015 10.5762 5.0614 numMergedOcc 0
4 mol 131 unq 2 iso 0 dist 6.30762 9.69757 11.8349 5.7687 7.8034 14.2573 4.51272 6.94015 14.1103 5.0614 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 14.2356 9.74966 21.7332 6.53248 7.53552 15.0329 10.527 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 6.81055 7.38138 5.2593 14.2356 9.74966 14.6724 6.53248 7.53552 11.4505 10.527 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 14.3323 9.87914 21.7647 6.52303 7.49948 14.9106 10.5134 numMergedOcc 0
8 mol 150 unq 1 iso 0 dist 6.77966 7.34423 5.1918 14.3323 9.87914 14.7418 6.52303 7.49948 11.3898 10.5134 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 11.1371 6.67598 14.1844 14.4857 9.15935 13.0835 15.4738 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 8.46837 7.39961 9.97803 8.68948 8.34508 10.5132 14.4857 9.15935 13.0835 7.92829 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 8.46837 7.80643 5.0966 11.1371 6.67598 9.19499 14.4857 9.15935 10.717 15.4738 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 8.46837 7.80643 5.0966 8.68948 8.34508 9.97623 14.4857 9.15935 10.717 7.92829 numMergedOcc 0
13 mol 231 unq 0 iso 0 dist 9.35875 9.84965 9.0084 3.86034 8.63896 12.206 6.84363 8.27156 9.9868 6.09153 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 4.64224 8.93368 11.3329 5.84274 8.60391 11.0778 4.84126 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 8.9569 7.7309 15.7709 4.64224 8.93368 11.4489 5.84274 8.60391 13.0193 4.84126 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 11.1145 8.19772 11.7979 13.9374 6.80043 9.78483 11.5884 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.37963 7.70229 14.9812 4.85023 8.3398 11.9947 5.85798 7.93643 11.3741 5.07758 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 8.37963 7.90792 15.4482 4.85023 8.3398 11.8942 5.85798 7.93643 13.1568 5.07758 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 4.70976 9.27402 5.21448 3.90949 7.80784 12.5216 6.08355 9.50506 12.31 8.08311 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 4.70976 9.26573 5.10189 3.90949 7.80784 12.2768 6.08355 9.50506 13.3754 8.08311 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 9.83824 9.6958 5.94839 11.0665 6.9719 11.8853 9.33611 8.30521 13.0323 4.49457 numMergedOcc 0
