0 mol 26 unq 0 iso 0 dist 9.15677 12.9455 7.98005 6.25761 4.52042 8.36742 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 14.2359 8.31381 6.25761 4.52042 8.10028 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 5.34406 7.98005 11.7328 4.52042 8.36742 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 11.3355 8.31381 11.7328 4.52042 8.10028 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.2513 4.38299 9.45756 6.81211 9.79109 8.99393 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.6606 7.39492 8.06267 15.5738 12.9158 9.55023 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 6.6606 7.39492 8.06267 8.60633 6.13436 4.39888 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 6.6606 4.89623 5.88334 8.60633 6.13436 5.29595 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.91837 8.29666 7.44558 15.8756 11.619 7.68838 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.76613 8.51501 7.42146 16.4873 11.8473 8.16392 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 5.09114 4.92712 4.42563 11.0483 7.21898 8.08737 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.87148 8.75597 8.111 13.2578 7.35357 8.0933 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 9.26057 6.36283 8.111 13.205 7.35357 8.0933 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 6.60477 7.42753 8.92592 11.171 7.26802 7.667 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 6.60651 7.94541 4.67869 15.4404 9.06413 9.5228 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 6.82185 7.38644 8.82761 14.7539 12.6417 8.64187 numMergedOcc 0
16 mol 213 unq 1 iso 0 dist 6.82881 7.38644 4.66576 14.7539 10.3241 8.64187 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.17766 8.26166 9.9868 9.83844 6.39215 8.8788 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 8.17766 9.74804 7.3268 16.1172 10.613 6.8533 numMergedOcc 0
19 mol 231 unq 2 iso 0 dist 9.84965 6.84363 9.9868 12.7601 6.39215 8.8788 numMergedOcc 0
20 mol 231 unq 3 iso 0 dist 9.84965 8.52323 7.3268 13.6002 10.613 6.8533 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 5.69465 7.97171 4.49592 10.8854 5.81799 8.27039 numMergedOcc 0
