0 mol 7 unq 0 iso 0 dist 9.60361 6.58295 8.81608 13.4908 5.5683 9.97624 19.1004 10.2465 15.9584 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60361 6.58295 8.81608 13.4908 5.5683 9.97624 12.1978 9.67164 10.515 8.72114 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.21811 3.71754 6.78936 7.24775 13.4461 7.60283 10.6901 10.757 7.50515 9.52474 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.91835 10.3737 4.44979 11.2805 3.92737 6.0129 15.3346 9.81956 8.70415 6.7117 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.91835 10.3737 4.44979 11.2805 3.92737 6.0129 11.7846 7.54889 10.0962 4.47349 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.91835 10.3737 4.44979 11.2805 3.92737 6.0129 15.0999 7.78931 11.2452 5.65185 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.29692 9.55475 6.61111 12.4011 3.94967 6.0129 10.9992 5.10496 8.70415 6.7117 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 9.29692 9.55475 6.61111 12.4011 3.94967 6.0129 14.2079 5.2571 10.0962 4.47349 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 9.29692 9.55475 6.61111 12.4011 3.94967 6.0129 17.8653 8.7497 11.2452 5.65185 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 7.6935 11.1769 4.44979 7.43804 3.92737 6.0129 13.2064 9.81956 8.70415 6.7117 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 7.6935 11.1769 4.44979 7.43804 3.92737 6.0129 5.65902 7.54889 10.0962 4.47349 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 7.6935 11.1769 4.44979 7.43804 3.92737 6.0129 7.85074 7.78931 11.2452 5.65185 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 8.71558 11.1769 6.61111 7.43804 3.94967 6.0129 13.2064 5.10496 8.70415 6.7117 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 8.71558 11.1769 6.61111 7.43804 3.94967 6.0129 5.65902 5.2571 10.0962 4.47349 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 8.71558 11.1769 6.61111 7.43804 3.94967 6.0129 7.85074 8.7497 11.2452 5.65185 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.68983 5.80684 5.51885 8.93293 4.08391 5.79343 14.1728 10.2365 8.88748 6.84011 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.64976 6.27514 9.10003 11.8818 10.0161 6.51868 8.27211 13.5288 4.68409 9.22661 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.64976 6.27514 9.10003 9.93823 11.7838 7.34698 8.27211 13.5288 4.68409 7.56378 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 5.57495 6.77802 9.1326 7.93807 5.43662 7.80054 5.89138 7.20495 6.36909 9.67741 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 9.38297 6.77802 7.30954 7.93807 5.95858 7.80054 5.89138 7.02548 6.36909 9.67741 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 6.16312 6.39326 7.12731 6.78301 4.08768 5.98039 10.8238 11.0148 6.56344 7.41478 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 12.9284 13.0848 4.62998 8.91712 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 6.56751 7.45616 7.23534 9.65934 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 12.9284 13.0848 4.62998 8.91712 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 6.56751 7.45616 7.23534 9.65934 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 12.9284 13.0848 4.62998 8.91712 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.74312 9.81184 8.59762 9.52718 5.97664 5.59555 6.56751 7.45616 7.23534 9.65934 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.18462 7.69733 5.84792 11.8478 5.93687 5.7131 10.9963 11.3379 5.98906 9.88863 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 6.66342 7.69733 8.73515 11.8478 9.40023 5.7131 10.9963 14.1177 5.98906 9.88863 numMergedOcc 0
