0 mol 27 unq 0 iso 0 dist 8.57551 15.4799 9.94082 13.1291 9.52155 14.0224 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.57551 15.4799 9.94082 9.11983 9.16319 14.8512 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 9.32506 14.1714 9.94082 16.7181 9.52155 14.0224 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 9.32506 14.1714 9.94082 13.5691 9.16319 14.8512 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.22018 6.03786 9.27478 7.31044 5.83263 5.27573 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.96872 3.97167 9.03785 9.99421 8.87977 7.59464 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.72121 5.85828 6.51618 12.1308 6.69121 6.76945 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 8.72121 9.39758 8.77748 12.1308 6.69121 6.72454 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 8.93032 7.8112 7.41568 11.0987 8.15179 6.07981 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 8.9675 7.06802 7.18359 15.0962 9.82522 9.76061 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 8.9675 7.06802 7.18359 14.8962 8.50773 8.83273 numMergedOcc 0
11 mol 154 unq 2 iso 0 dist 8.9675 6.88913 7.66303 15.0962 9.82522 13.9096 numMergedOcc 0
12 mol 154 unq 3 iso 0 dist 8.9675 6.88913 7.66303 14.8962 8.50773 10.1721 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 5.67457 8.2618 6.96132 4.75805 6.03495 3.88336 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.86708 5.89269 9.98534 10.486 9.41473 8.1479 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 5.86875 11.5492 9.98534 14.0159 9.41473 8.1479 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 7.67597 8.27114 8.04105 4.58591 5.20568 4.21305 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 9.04936 8.02843 8.04105 8.33955 5.20568 4.21305 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.69313 7.77456 7.8959 15.4958 9.74797 14.3245 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 6.69313 7.77456 7.8959 14.4844 9.90494 10.0181 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.73473 5.07543 6.86467 7.6058 9.66129 3.65067 numMergedOcc 0
