0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 10.7734 13.8584 7.98326 6.84216 9.68636 6.76736 9.81983 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 9.91086 12.2746 11.6414 6.31608 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 12.6643 9.76111 4.11146 5.9372 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 17.1861 13.54 7.83331 8.17583 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 12.0986 8.92779 6.22954 7.03544 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 12.6643 9.76111 4.11146 6.93597 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 16.3188 13.7992 12.2839 7.85986 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 12.0986 8.92779 6.22954 4.30252 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 12.6643 18.0724 4.11146 5.9372 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 17.1861 21.213 7.83331 8.17583 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 12.0986 12.3897 6.22954 7.03544 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 12.6643 18.0724 4.11146 6.93597 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 16.3188 13.2846 12.2839 7.85986 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 12.0986 12.3897 6.22954 4.30252 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 9.52201 14.8115 4.11146 5.9372 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 10.794 14.9698 7.83331 8.17583 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 4.7841 8.03955 6.22954 7.03544 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 9.52201 14.8115 4.11146 6.93597 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 8.23075 6.7846 12.2839 7.85986 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 4.7841 8.03955 6.22954 4.30252 numMergedOcc 0
20 mol 54 unq 0 iso 0 dist 6.83299 6.14538 4.29856 4.24786 10.4031 9.17082 10.2546 13.8618 10.1455 8.75957 numMergedOcc 0
21 mol 102 unq 0 iso 0 dist 7.36792 8.31932 7.42011 4.48396 9.24642 8.88394 5.54256 3.48119 7.28191 6.07633 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.27193 11.9334 6.6317 7.02367 5.37655 5.40648 9.62952 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 4.55551 6.28565 9.73158 12.0878 10.3933 9.06432 8.98175 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 12.0878 10.3933 11.2951 8.98175 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 8.25985 4.04428 12.159 9.78273 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 13.4127 15.3816 9.84575 9.81919 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 11.8311 12.5154 8.87313 8.09181 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 11.8311 14.1901 8.87313 8.09181 numMergedOcc 0
