0 mol 18 unq 0 iso 0 dist 4.70023 6.99048 7.63261 9.8269 6.47139 7.23594 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.20409 11.2142 4.97954 14.0211 7.81854 8.59022 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 5.93729 11.2142 9.20117 14.0211 8.99329 8.59022 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.87569 9.28685 9.89949 8.52979 10.8037 7.68916 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 9.88556 10.7573 6.47588 15.4906 7.21475 8.61163 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.8409 6.23394 8.29369 8.40871 7.17843 9.2835 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.8409 7.51473 6.75455 8.40871 7.17843 5.02591 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.13368 15.2043 7.50417 8.40871 4.4651 7.80757 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 8.13368 15.2043 7.50417 15.4151 9.31889 5.5849 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 8.13368 7.51473 6.28063 8.40871 4.4651 5.02591 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.94991 8.96208 8.48295 14.6373 10.2967 7.47827 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 5.64099 6.43058 4.06171 11.137 5.81348 8.5073 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.87066 13.647 8.74464 21.0616 12.906 9.64856 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 9.87066 13.647 8.74464 14.5984 5.6098 6.38977 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 9.87066 13.647 8.74464 12.0425 4.29914 9.69757 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 7.56833 5.1971 8.74464 13.1722 12.906 9.64856 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 7.56833 5.1971 8.74464 7.49404 5.6098 6.38977 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 7.56833 5.1971 8.74464 10.6353 4.29914 9.69757 numMergedOcc 0
18 mol 136 unq 0 iso 0 dist 9.16075 5.02534 6.27434 11.2139 6.38418 6.53519 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.53121 12.9819 8.83021 17.1095 8.94975 8.08787 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 6.02401 6.76595 5.67616 8.67044 4.70115 4.71403 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 9.65192 12.5686 8.59762 11.0897 4.94196 5.52981 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 9.65192 12.5686 8.59762 17.7202 10.4847 6.22077 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 9.01177 5.57575 6.68688 9.55574 11.6171 6.7283 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 6.20857 4.22769 5.19015 11.1639 8.31324 7.22438 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 6.20857 4.22769 5.19015 11.7129 9.38679 7.66615 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 6.84909 5.50967 9.22345 6.87804 8.04474 5.69465 numMergedOcc 0
