0 mol 53 unq 0 iso 0 dist 9.26043 4.44768 6.64564 10.0759 7.86285 5.71432 5.86778 9.52717 3.86331 7.02963 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.41313 9.08111 8.09675 15.0948 7.69222 10.2047 5.21816 9.85386 11.1342 13.815 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.41313 9.08111 8.09675 15.0948 7.69222 10.2047 8.82709 4.8983 8.22845 11.9118 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.41313 9.08111 8.09675 14.5973 5.82056 10.8441 5.21816 9.85386 11.1342 13.7005 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.41313 9.08111 8.09675 14.5973 5.82056 10.8441 8.82709 4.8983 8.22845 10.0644 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 9.41313 9.08111 8.09675 18.4582 9.09115 15.2203 5.21816 9.85386 11.1342 17.9011 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.41313 9.08111 8.09675 18.4582 9.09115 15.2203 8.82709 4.8983 8.22845 12.1501 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 9.41313 5.88754 9.02753 15.0948 7.69222 14.0199 5.21816 9.85386 10.0544 13.815 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 9.41313 5.88754 9.02753 15.0948 7.69222 14.0199 8.82709 4.8983 6.96897 11.9118 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 9.41313 5.88754 9.02753 14.5973 5.82056 13.7625 5.21816 9.85386 10.0544 13.7005 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 9.41313 5.88754 9.02753 14.5973 5.82056 13.7625 8.82709 4.8983 6.96897 10.0644 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 9.41313 5.88754 9.02753 18.4582 9.09115 17.5374 5.21816 9.85386 10.0544 17.9011 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 9.41313 5.88754 9.02753 18.4582 9.09115 17.5374 8.82709 4.8983 6.96897 12.1501 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.28273 4.65559 7.13958 10.0627 9.31543 9.63308 3.50174 4.4077 3.54691 9.74071 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 7.28273 4.65559 7.13958 10.0627 9.31543 9.63308 3.98945 8.4874 5.56761 6.92699 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 7.28273 4.65559 7.13958 11.8027 8.85652 9.05571 3.50174 4.4077 3.54691 9.87781 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 7.28273 4.65559 7.13958 11.8027 8.85652 9.05571 3.98945 8.4874 5.56761 9.93375 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.72113 7.45659 5.83898 5.62911 9.77333 10.2261 4.90099 5.97886 3.85596 9.18271 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.30459 11.3783 8.40718 3.93117 5.81438 12.5259 8.62729 8.77524 16.6893 5.80328 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.73423 4.92057 8.40718 11.1412 5.81438 12.5259 16.3802 8.77524 16.6893 5.80328 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.50015 9.15581 8.99368 12.6654 9.52528 8.19502 3.94102 8.99666 10.0331 15.3449 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 8.33933 6.36131 8.99368 8.93714 9.52528 8.19502 7.98948 8.99666 10.0331 15.3449 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 5.95029 5.86631 8.99368 3.9962 9.52528 8.19502 11.4978 8.99666 10.0331 15.3449 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.2681 4.69007 8.32005 10.3367 8.59229 8.84052 6.93425 6.74521 7.03949 3.92688 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 8.2681 4.69007 8.32005 5.12941 7.33165 3.97177 6.93425 6.74521 7.03949 3.21986 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 8.2681 4.69007 8.32005 9.06733 9.66967 10.8314 6.93425 6.74521 7.03949 4.47943 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.44669 14.7095 9.46746 14.2548 9.81589 9.21014 13.9996 9.48672 3.78294 5.80505 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 9.44669 9.9782 7.31698 14.2548 9.81589 4.58093 13.9996 9.48672 5.23608 5.80505 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 4.12505 9.31611 11.7613 8.54063 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 4.12505 9.31611 11.7613 8.54063 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 4.12505 9.31611 11.7613 8.54063 numMergedOcc 0
