0 mol 54 unq 0 iso 0 dist 8.42643 5.38191 5.29727 5.60003 12.1593 7.16132 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.62884 5.83937 10.6998 12.0661 18.2129 7.57295 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 7.52802 7.29462 12.8858 11.975 18.8768 7.93045 numMergedOcc 0
3 mol 108 unq 1 iso 0 dist 8.1971 7.29462 9.53351 11.975 16.4088 7.93045 numMergedOcc 0
4 mol 108 unq 2 iso 0 dist 7.84262 7.29462 12.0135 11.975 16.1105 7.93045 numMergedOcc 0
5 mol 108 unq 3 iso 0 dist 9.29208 5.4057 12.0135 6.84497 16.1105 7.93045 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.0224 8.21889 10.6667 10.4255 14.0731 6.29161 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 9.0224 8.21889 10.6667 14.5244 13.4191 7.86666 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.40633 8.53368 11.3008 6.14609 11.2742 9.77575 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.40633 6.49205 6.83988 8.22696 14.5277 8.95212 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 9.42432 8.53368 5.35931 6.14609 10.7464 9.77575 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.22776 8.53368 5.90895 6.14609 6.39945 9.77575 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 9.95698 9.42766 7.09701 16.57 12.9161 7.64052 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.8492 8.89982 10.035 9.0696 12.9757 6.59889 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.8492 8.89982 10.035 9.83062 12.4391 8.9192 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.69328 8.0974 15.6558 9.80877 16.1633 9.11204 numMergedOcc 0
16 mol 207 unq 0 iso 0 dist 9.09845 8.09522 4.93599 5.15938 11.9811 9.98372 numMergedOcc 0
17 mol 207 unq 1 iso 0 dist 9.09845 8.09522 4.93599 7.6274 10.4049 9.1528 numMergedOcc 0
18 mol 207 unq 2 iso 0 dist 9.09845 5.08312 9.64674 4.43093 12.794 5.12567 numMergedOcc 0
19 mol 207 unq 3 iso 0 dist 9.09845 5.08312 9.64674 5.15938 11.9811 6.0563 numMergedOcc 0
20 mol 207 unq 4 iso 0 dist 9.09845 5.08312 9.64674 7.6274 10.4049 8.1244 numMergedOcc 0
21 mol 207 unq 5 iso 0 dist 9.50021 8.09522 8.22629 5.15938 14.1265 9.98372 numMergedOcc 0
22 mol 207 unq 6 iso 0 dist 9.50021 8.09522 8.22629 7.6274 14.3078 9.1528 numMergedOcc 0
23 mol 207 unq 7 iso 0 dist 9.50021 5.08312 10.9115 4.43093 12.3887 5.12567 numMergedOcc 0
24 mol 207 unq 8 iso 0 dist 9.50021 5.08312 10.9115 5.15938 14.1265 6.0563 numMergedOcc 0
25 mol 207 unq 9 iso 0 dist 9.50021 5.08312 10.9115 7.6274 14.3078 8.1244 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.03521 8.49704 13.0236 4.112 12.7463 7.46481 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.79842 6.08709 6.06244 11.4272 12.2684 8.08349 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.23071 9.75313 10.9485 3.56689 8.83742 8.08349 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 6.75578 5.36776 5.86413 11.9011 5.81865 8.83833 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.13752 6.77279 6.59107 9.90573 13.6565 9.07743 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 6.13752 9.58006 11.1778 12.7528 17.4832 9.63573 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.13752 9.58006 11.1778 9.90573 13.6565 7.66153 numMergedOcc 0
