0 mol 140 unq 0 iso 0 dist 8.72216 4.56374 8.05043 4.46614 7.60956 4.8476 8.6371 5.00766 9.74209 6.55217 numMergedOcc 0
1 mol 140 unq 1 iso 0 dist 8.72216 4.56374 8.05043 4.74205 9.9171 8.53976 8.6371 5.00766 9.74209 7.21686 numMergedOcc 0
2 mol 165 unq 0 iso 0 dist 8.19939 13.729 8.2197 7.20315 7.21397 10.5947 6.62466 6.27901 14.2061 7.8052 numMergedOcc 0
3 mol 203 unq 0 iso 0 dist 9.44579 9.73417 7.9591 8.95399 6.84619 4.9404 11.2336 4.51654 8.8589 5.46529 numMergedOcc 0
4 mol 223 unq 0 iso 0 dist 9.10041 15.4738 9.29204 10.9692 6.97426 4.73988 10.8742 4.68566 9.86372 7.96628 numMergedOcc 0
5 mol 223 unq 1 iso 0 dist 9.10041 15.4738 9.29204 10.2498 8.87456 8.36102 10.8742 4.68566 9.86372 7.76053 numMergedOcc 0
6 mol 223 unq 2 iso 0 dist 9.10041 15.4738 9.29204 10.2498 8.87456 8.36102 11.3928 11.1044 15.8519 9.65728 numMergedOcc 0
7 mol 223 unq 3 iso 0 dist 9.10041 14.4135 9.14789 10.9692 6.97426 4.78255 10.8742 4.68566 7.70946 7.96628 numMergedOcc 0
8 mol 223 unq 4 iso 0 dist 9.10041 14.4135 9.14789 10.2498 8.87456 5.43913 10.8742 4.68566 7.70946 7.76053 numMergedOcc 0
9 mol 223 unq 5 iso 0 dist 9.10041 14.4135 9.14789 10.2498 8.87456 5.43913 11.3928 11.1044 12.2562 9.65728 numMergedOcc 0
10 mol 223 unq 6 iso 0 dist 9.10041 6.59509 7.80764 10.9692 6.97426 12.6805 10.8742 4.68566 11.3699 7.96628 numMergedOcc 0
11 mol 223 unq 7 iso 0 dist 9.10041 6.59509 7.80764 10.2498 8.87456 13.9763 10.8742 4.68566 11.3699 7.76053 numMergedOcc 0
12 mol 223 unq 8 iso 0 dist 9.10041 6.59509 7.80764 10.2498 8.87456 13.9763 11.3928 11.1044 14.6013 9.65728 numMergedOcc 0
13 mol 223 unq 9 iso 0 dist 9.10041 11.687 5.75896 10.9692 6.97426 10.6184 10.8742 4.68566 10.1945 7.96628 numMergedOcc 0
14 mol 223 unq 10 iso 0 dist 9.10041 11.687 5.75896 10.2498 8.87456 13.8469 10.8742 4.68566 10.1945 7.76053 numMergedOcc 0
15 mol 223 unq 11 iso 0 dist 9.10041 11.687 5.75896 10.2498 8.87456 13.8469 11.3928 11.1044 16.5446 9.65728 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 9.19506 11.0413 7.58833 7.85269 3.67935 4.88298 9.00613 6.13333 6.04688 5.70674 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 9.19506 6.40966 9.04715 7.85269 3.67935 5.75331 9.00613 6.13333 9.50034 5.70674 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 5.84157 9.69849 9.72048 4.52659 7.57779 9.92518 8.17286 12.1115 16.7161 7.16286 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.88518 3.7042 6.08181 14.5913 8.10903 10.8957 13.522 5.79358 10.9114 8.73425 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 8.88518 3.7042 6.08181 14.3641 7.25618 11.0025 13.522 5.79358 10.9114 9.65711 numMergedOcc 0
21 mol 258 unq 2 iso 0 dist 8.88518 13.1596 7.70189 14.5913 8.10903 5.27718 13.522 5.79358 6.59521 8.73425 numMergedOcc 0
22 mol 258 unq 3 iso 0 dist 8.88518 13.1596 7.70189 14.3641 7.25618 9.46467 13.522 5.79358 6.59521 9.65711 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.72085 7.43524 13.2902 9.84741 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 16.3372 14.0575 16.044 8.5458 numMergedOcc 0
25 mol 287 unq 2 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 11.9996 10.6005 15.8403 8.56533 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.72085 7.43524 13.2902 9.84741 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 16.3372 14.0575 16.044 8.5458 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 11.9996 10.6005 15.8403 8.56533 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 8.72085 7.43524 13.2902 9.84741 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 16.3372 14.0575 16.044 8.5458 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 11.9996 10.6005 15.8403 8.56533 numMergedOcc 0
