0 mol 8 unq 0 iso 0 dist 7.92414 6.56356 4.69349 5.7531 12.3159 8.83742 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 5.7531 7.12263 8.83742 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 6.58998 9.38831 8.24948 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.24958 7.27472 5.11135 10.0655 9.58012 7.96195 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.05402 7.31982 7.15901 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.48048 7.31982 7.15901 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 6.77886 9.03564 10.5332 10.1082 13.7148 7.06146 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 10.1567 12.0448 4.99604 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 6.47042 8.47988 8.90959 8.56707 12.0448 4.99604 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.99056 8.03035 9.57341 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 3.78311 8.03035 9.57341 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 3.78311 7.6968 9.57341 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 10.8441 5.73236 8.68663 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 7.63338 5.40637 8.4697 10.8441 13.3045 8.68663 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 9.03707 5.40637 5.41614 10.8441 13.3584 8.68663 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 7.25673 5.40637 6.78032 10.8441 15.0441 8.68663 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.2238 6.39031 7.1069 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.28642 6.70693 4.71678 5.59336 6.39031 7.1069 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 6.55507 10.8148 9.82982 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 8.77887 6.73504 6.19242 5.16512 9.05835 7.32888 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.83476 7.2793 6.38897 6.87725 8.12349 8.31881 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.258 7.2793 8.88593 6.87725 12.7425 8.31881 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.48341 6.74196 9.0716 6.42798 12.5422 7.97027 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 8.48341 8.36842 10.5383 6.42798 12.5422 4.9876 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 10.6484 12.5052 9.57955 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 6.6561 9.09424 5.94765 10.6484 12.5052 8.79277 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 numMergedOcc 0
29 mol 225 unq 4 iso 0 dist 6.6561 8.14831 11.2847 6.18042 12.7403 8.69811 numMergedOcc 0
30 mol 225 unq 5 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 11.113 15.2617 9.08151 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.7551 9.89583 6.53286 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 13.9054 11.8525 9.39658 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 numMergedOcc 0
39 mol 264 unq 2 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 numMergedOcc 0
40 mol 264 unq 3 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 numMergedOcc 0
