0 mol 8 unq 0 iso 0 dist 6.82379 6.94408 6.24978 5.7531 7.12263 4.88215 6.56356 8.64248 11.865 8.83742 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.24978 6.94408 6.82379 4.88215 7.12263 5.7531 11.865 8.64248 6.56356 8.83742 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 11.2508 9.66439 5.7531 7.12263 6.36434 6.56356 8.64248 14.7257 8.83742 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.66439 11.2508 6.82379 6.36434 7.12263 5.7531 14.7257 8.64248 6.56356 8.83742 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 12.4076 7.3915 5.7531 7.12263 8.79272 6.56356 8.64248 12.536 8.83742 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 7.3915 12.4076 6.82379 8.79272 7.12263 5.7531 12.536 8.64248 6.56356 8.83742 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.24978 5.3787 9.66439 4.88215 7.12263 6.36434 11.865 8.64248 14.7257 8.83742 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 9.66439 5.3787 6.24978 6.36434 7.12263 4.88215 14.7257 8.64248 11.865 8.83742 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 6.24978 9.22548 7.3915 4.88215 7.12263 8.79272 11.865 8.64248 12.536 8.83742 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 7.3915 9.22548 6.24978 8.79272 7.12263 4.88215 12.536 8.64248 11.865 8.83742 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 9.66439 7.96511 7.3915 6.36434 7.12263 8.79272 14.7257 8.64248 12.536 8.83742 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 7.3915 7.96511 9.66439 8.79272 7.12263 6.36434 12.536 8.64248 14.7257 8.83742 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 6.58998 9.38831 11.0493 7.95042 4.47891 11.6516 8.24948 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 11.0493 9.38831 6.58998 11.6516 4.47891 7.95042 8.24948 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 4.93188 12.3067 9.24958 9.48345 9.40479 13.1456 10.9113 9.57743 16.707 8.24948 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 9.24958 12.3067 4.93188 13.1456 9.40479 9.48345 16.707 9.57743 10.9113 8.24948 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 4.93188 12.3067 9.24958 14.4162 9.58012 10.0655 9.33482 5.11135 7.27472 7.96195 numMergedOcc 0
17 mol 24 unq 2 iso 1 dist 9.24958 12.3067 4.93188 10.0655 9.58012 14.4162 7.27472 5.11135 9.33482 7.96195 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 9.93832 8.13395 8.60739 7.05402 7.31982 5.48048 6.6263 4.55347 6.75943 7.15901 numMergedOcc 0
19 mol 43 unq 0 iso 1 dist 8.60739 8.13395 9.93832 5.48048 7.31982 7.05402 6.75943 4.55347 6.6263 7.15901 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 15.9513 7.92049 16.9296 6.18348 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 16.9296 7.92049 15.9513 6.18348 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 15.9513 7.92049 15.7468 6.18348 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 15.7468 7.92049 15.9513 6.18348 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 16.9296 7.92049 15.7468 6.18348 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 15.7468 7.92049 16.9296 6.18348 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 4.99056 8.03035 3.78311 11.2897 6.71103 12.31 9.6121 numMergedOcc 0
27 mol 119 unq 0 iso 1 dist 8.56342 4.85907 7.99857 3.78311 8.03035 4.99056 12.31 6.71103 11.2897 9.6121 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 7.99857 4.85907 8.56342 4.99056 8.03035 3.78311 6.99446 6.29394 7.64052 9.57341 numMergedOcc 0
29 mol 119 unq 1 iso 1 dist 8.56342 4.85907 7.99857 3.78311 8.03035 4.99056 7.64052 6.29394 6.99446 9.57341 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.77552 7.65448 8.28642 7.2238 6.39031 5.59336 6.59889 4.71678 6.70693 7.1069 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 5.59336 6.39031 7.2238 6.70693 4.71678 6.59889 7.1069 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 7.20574 5.74635 6.85302 12.7155 7.55358 9.97575 19.553 13.0608 17.9507 8.57801 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 6.85302 5.74635 7.20574 9.97575 7.55358 12.7155 17.9507 13.0608 19.553 8.57801 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 8.38865 5.22356 5.4694 10.5813 9.56257 7.22396 5.23634 7.3164 6.91318 9.43618 numMergedOcc 0
35 mol 227 unq 0 iso 1 dist 5.4694 5.22356 8.38865 7.22396 9.56257 10.5813 6.91318 7.3164 5.23634 9.43618 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.66971 5.40359 6.4398 10.7508 9.89583 5.87253 14.4013 13.0611 11.1002 6.53286 numMergedOcc 0
37 mol 238 unq 0 iso 1 dist 6.4398 5.40359 6.66971 5.87253 9.89583 10.7508 11.1002 13.0611 14.4013 6.53286 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 6.66971 10.0191 7.32982 10.7508 9.89583 10.7551 14.4013 13.0611 9.72188 6.53286 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 7.32982 10.0191 6.66971 10.7551 9.89583 10.7508 9.72188 13.0611 14.4013 6.53286 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 6.4398 10.1648 7.32982 5.87253 9.89583 10.7551 11.1002 13.0611 9.72188 6.53286 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 7.32982 10.1648 6.4398 10.7551 9.89583 5.87253 9.72188 13.0611 11.1002 6.53286 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 4.48907 5.74568 10.1591 5.90924 7.36132 9.58916 7.14086 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 10.1591 5.74568 4.48907 9.58916 7.36132 5.90924 7.14086 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 6.04162 4.92077 6.14323 6.84156 5.74568 9.37297 9.19754 5.82131 8.29262 6.02757 numMergedOcc 0
45 mol 264 unq 1 iso 1 dist 6.14323 4.92077 6.04162 9.37297 5.74568 6.84156 8.29262 5.82131 9.19754 6.02757 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 6.04162 4.92077 6.14323 6.84156 5.74568 9.37297 13.8802 9.58444 13.4196 8.67231 numMergedOcc 0
47 mol 264 unq 2 iso 1 dist 6.14323 4.92077 6.04162 9.37297 5.74568 6.84156 13.4196 9.58444 13.8802 8.67231 numMergedOcc 0
