0 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 5.77448 6.54183 13.2619 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.0081 9.35633 9.91313 13.1593 9.70415 7.49081 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.06502 10.8072 6.04611 5.56506 8.53393 7.85236 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.06502 10.8072 6.04611 4.81535 5.57265 9.299 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.04064 12.3359 9.56911 14.0721 8.44515 5.36296 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 8.04064 10.9311 7.68053 14.0721 8.44515 4.8042 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 14.0158 6.78839 8.91618 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.0584 16.82 8.04448 6.35984 8.02354 14.8024 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 9.17333 4.05045 6.59749 8.81984 8.34737 5.88662 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 9.17333 4.05045 6.59749 9.49184 8.5163 5.66224 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 9.40213 11.0523 8.2809 4.40294 9.54849 8.26604 numMergedOcc 0
11 mol 172 unq 1 iso 0 dist 9.40213 11.0523 8.2809 8.54738 5.5139 4.70355 numMergedOcc 0
12 mol 172 unq 2 iso 0 dist 8.75042 9.39946 8.2809 10.0794 9.54849 8.26604 numMergedOcc 0
13 mol 172 unq 3 iso 0 dist 8.75042 9.39946 8.2809 10.0217 5.5139 4.70355 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 9.88141 5.1735 8.85976 15.0762 9.47932 14.7053 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.27557 10.4312 9.18345 5.77573 6.06422 5.33567 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 7.9304 8.98668 11.3529 numMergedOcc 0
17 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 16.3246 8.98668 11.3529 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.80603 6.00285 5.16838 5.48552 5.75874 4.62072 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.11605 4.35391 4.26671 14.3313 8.80588 10.0206 numMergedOcc 0
