0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 6.94408 6.24978 11.865 5.7531 7.12263 8.83742 4.88215 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 11.2508 9.66439 14.7257 5.7531 7.12263 8.83742 6.36434 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 6.56356 8.64248 12.4076 7.3915 12.536 5.7531 7.12263 8.83742 8.79272 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 7.05502 7.83786 11.6516 6.58998 9.38831 8.24948 11.0493 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 10.0655 9.58012 7.96195 14.4162 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 7.05402 7.31982 7.15901 5.48048 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 5.48048 7.31982 7.15901 7.05402 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 4.8896 6.47042 8.47988 10.1567 12.0448 4.99604 8.56707 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 6.47042 8.47988 8.90959 4.8896 6.78038 9.02706 8.56707 12.0448 4.99604 10.1567 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.85907 8.56342 7.64052 4.99056 8.03035 9.57341 3.78311 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 4.85907 7.99857 6.99446 3.78311 8.03035 9.57341 4.99056 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.65448 8.28642 6.70693 7.2238 6.39031 7.1069 5.59336 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 5.59336 6.39031 7.1069 7.2238 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 10.5813 9.56257 9.43618 7.22396 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 7.22396 9.56257 9.43618 10.5813 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 9.82284 7.56091 16.672 11.113 15.2617 9.08151 18.9839 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.5366 7.81215 11.0592 5.88703 8.24186 11.6391 11.113 15.2617 9.08151 16.9258 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.0191 6.66971 14.4013 10.7551 9.89583 6.53286 10.7508 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 7.32982 9.72188 13.0611 10.1648 6.4398 11.1002 10.7551 9.89583 6.53286 5.87253 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 4.48907 5.74568 7.14086 10.1591 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 10.1591 5.74568 7.14086 4.48907 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 6.84156 5.74568 6.02757 9.37297 numMergedOcc 0
22 mol 264 unq 3 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 9.37297 5.74568 6.02757 6.84156 numMergedOcc 0
