0 mol 8 unq 0 iso 0 dist 7.92414 6.56356 4.69349 10.9495 13.6835 9.01112 5.7531 12.3159 8.83742 7.17012 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.92414 6.56356 4.69349 8.09332 11.2464 7.62333 5.7531 12.3159 8.83742 6.31881 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 6.56356 8.64248 10.9495 10.6335 9.01112 5.7531 7.12263 8.83742 7.17012 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 6.56356 8.64248 8.09332 11.7258 7.62333 5.7531 7.12263 8.83742 6.31881 numMergedOcc 0
4 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
5 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
6 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
7 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
8 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.9871 14.6439 8.95212 4.99056 8.03035 9.57341 13.52 numMergedOcc 0
9 mol 119 unq 1 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 2 iso 0 dist 8.56342 7.64052 6.29394 9.93257 14.6439 8.95212 3.78311 8.03035 9.57341 13.52 numMergedOcc 0
11 mol 119 unq 3 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
12 mol 119 unq 4 iso 0 dist 6.37542 7.64052 9.64502 9.93257 12.8836 8.95212 3.78311 7.6968 9.57341 13.52 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 6.37542 7.64052 9.64502 4.85907 10.4631 6.99446 3.78311 7.6968 9.57341 4.99056 numMergedOcc 0
14 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
15 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
16 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 13.3965 11.5332 8.1945 10.6484 12.5052 9.57955 17.0241 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 13.3965 11.5332 8.1945 4.76151 6.53728 9.87668 16.6392 numMergedOcc 0
18 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
19 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
20 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 10.2693 15.2927 5.64285 11.113 15.2617 9.08151 5.52595 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 15.7907 17.2012 9.12776 10.7551 9.89583 6.53286 11.0349 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 7.07277 12.2392 5.90058 4.48907 5.74568 7.14086 9.09085 numMergedOcc 0
23 mol 264 unq 1 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
24 mol 264 unq 2 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
25 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 14.3597 12.2392 5.90058 10.1591 5.74568 7.14086 9.09085 numMergedOcc 0
26 mol 264 unq 4 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
27 mol 264 unq 5 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
