0 mol 4 unq 0 iso 0 dist 8.19615 5.93215 8.24634 10.4585 6.29581 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.19615 11.0393 9.16617 10.4585 6.29581 6.42755 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 12.9838 9.78331 13.0776 5.67637 7.25951 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.48453 12.9838 9.78331 7.02884 4.03817 7.92012 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 7.0928 11.7801 8.87757 13.096 7.33728 6.25843 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 7.0928 11.7801 8.87757 12.7595 13.9331 8.88938 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.16036 9.5746 9.6782 9.52676 4.55437 7.48846 numMergedOcc 0
7 mol 65 unq 0 iso 0 dist 9.9997 8.24043 6.72639 9.68286 5.51708 5.94206 numMergedOcc 0
8 mol 65 unq 1 iso 0 dist 9.38611 4.91428 6.76508 8.58416 6.47381 5.94206 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.47827 3.98211 9.30539 7.74952 4.57085 8.66165 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 7.28711 9.98867 5.73743 14.8979 10.1024 8.66165 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 8.38646 6.24872 7.73435 8.6317 9.20086 6.11502 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 8.38646 10.4668 9.3778 8.6317 9.20086 6.33431 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.14071 9.81728 9.36851 11.5412 4.55551 9.73158 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 8.14071 6.95825 4.97175 11.5412 4.55551 7.59327 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 6.99089 10.0674 7.80532 11.8229 5.71679 6.40575 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.75558 9.62363 9.97343 15.971 9.74444 9.10042 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.75558 9.62363 9.97343 14.9122 6.91919 9.75059 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 9.75558 9.62363 9.97343 9.78937 10.1432 6.83404 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.80643 11.7605 9.44367 11.9646 5.71511 8.37434 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.07676 6.28923 6.46704 10.1342 7.81713 7.32087 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.07676 6.10683 6.59025 10.1342 7.81713 8.86197 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 6.07676 6.10683 6.59025 10.1056 7.16549 5.94379 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 6.96824 4.75774 5.9176 5.6688 6.29863 7.22883 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.05666 5.76622 8.77999 7.27051 12.717 6.60053 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 9.05666 5.76622 8.77999 7.35424 14.8459 9.36796 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.2527 10.0651 8.69104 9.52775 8.1195 5.92374 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.29203 16.2617 8.69104 15.6111 8.1195 5.92374 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.42827 5.74889 5.48118 11.08 9.0676 5.9627 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 5.81421 9.59458 6.71375 15.3143 10.0732 8.984 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 7.18433 11.2038 6.78191 10.9476 4.50325 7.34931 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.28096 12.4113 6.89451 14.9646 7.83813 6.95912 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.28096 12.4113 6.89451 14.9646 7.83813 6.95912 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.28096 12.4113 6.89451 14.9646 7.83813 6.95912 numMergedOcc 0
