0 mol 26 unq 0 iso 0 dist 9.15677 12.1626 9.7522 16.4682 8.34347 15.0931 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 7.53125 9.7522 14.3476 8.34347 15.0931 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 7.7625 9.10817 7.12423 5.8664 9.0709 13.6102 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 10.6355 9.5589 10.7219 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 7.51978 8.88887 5.97635 6.43082 6.83299 6.76462 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 7.51978 8.88887 5.97635 11.7347 8.10861 13.2619 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.67586 5.74095 6.65344 5.03832 6.85766 5.29688 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 7.67586 5.74095 6.65344 11.7065 7.71095 13.1729 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 8.97292 6.00486 6.65344 7.2878 6.85766 5.29688 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 8.97292 6.00486 6.65344 14.1347 7.71095 13.1729 numMergedOcc 0
10 mol 59 unq 4 iso 0 dist 6.85083 8.5275 7.7978 7.35881 7.17396 6.8958 numMergedOcc 0
11 mol 59 unq 5 iso 0 dist 6.85083 10.3175 9.55751 7.35881 7.17396 5.85228 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 9.99643 11.5723 7.52103 8.2572 6.72123 6.16737 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 9.99643 3.60123 8.46556 8.2572 6.72123 4.90701 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 7.26032 4.4104 8.88225 5.91309 9.5497 8.73453 numMergedOcc 0
15 mol 86 unq 1 iso 0 dist 7.26032 9.78656 9.49308 5.91309 9.5497 10.7693 numMergedOcc 0
16 mol 86 unq 2 iso 0 dist 5.49793 9.86291 8.88225 5.82069 9.5497 8.73453 numMergedOcc 0
17 mol 86 unq 3 iso 0 dist 5.49793 9.22136 9.49308 5.82069 9.5497 10.7693 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 7.65229 6.50047 7.15985 5.43987 9.60462 6.68714 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 7.65229 6.50047 7.15985 9.7695 7.45389 6.71889 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.59784 9.25954 5.63005 9.70986 8.73993 10.5268 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 6.01457 8.37808 11.0216 numMergedOcc 0
22 mol 122 unq 1 iso 0 dist 5.09114 9.14438 6.78949 6.01457 8.37808 7.54208 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.72463 10.0479 8.30654 14.0766 5.99315 11.3469 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.05666 11.524 9.90531 5.64431 5.59424 8.43102 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 9.05666 11.524 9.90531 10.8223 7.00794 4.96445 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 7.36642 7.49505 5.96555 4.87114 6.03031 4.6995 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 7.36642 7.49505 5.96555 9.43922 7.26832 10.7091 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 7.36642 7.49505 5.96555 6.98312 7.80463 5.87892 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 7.19917 11.8117 8.62103 9.55205 6.18308 3.84723 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 9.3424 9.65138 6.28065 numMergedOcc 0
31 mol 214 unq 1 iso 0 dist 6.83122 6.06185 9.51764 12.2622 7.14453 11.2159 numMergedOcc 0
32 mol 214 unq 2 iso 0 dist 6.83122 6.06185 9.51764 6.75833 8.85478 6.53326 numMergedOcc 0
33 mol 214 unq 3 iso 0 dist 6.83122 12.1024 5.36829 9.3424 9.65138 11.7583 numMergedOcc 0
34 mol 214 unq 4 iso 0 dist 6.83122 12.1024 5.36829 12.2622 7.14453 4.98764 numMergedOcc 0
35 mol 214 unq 5 iso 0 dist 6.83122 12.1024 5.36829 6.75833 8.85478 12.3481 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.14277 6.63165 7.85877 4.02914 7.21333 4.82768 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.82174 11.6082 6.24928 10.4397 6.57393 5.33567 numMergedOcc 0
38 mol 241 unq 0 iso 0 dist 8.62971 8.34013 8.40773 4.99503 7.4631 6.72492 numMergedOcc 0
39 mol 241 unq 1 iso 0 dist 8.62971 5.69491 9.18476 4.99503 7.4631 9.87799 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 8.22485 7.57994 9.07501 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 6.42827 7.26569 6.37672 6.77698 6.18582 4.24014 numMergedOcc 0
42 mol 249 unq 2 iso 0 dist 6.42827 6.09915 8.94023 8.22485 7.57994 9.53929 numMergedOcc 0
43 mol 249 unq 3 iso 0 dist 6.42827 6.09915 8.94023 6.77698 6.18582 5.36989 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 9.0081 9.02271 9.25001 numMergedOcc 0
45 mol 253 unq 1 iso 0 dist 5.76077 4.58695 7.15815 9.0081 9.02271 4.93871 numMergedOcc 0
46 mol 253 unq 2 iso 0 dist 7.0247 12.6079 5.89502 10.9027 9.02271 9.25001 numMergedOcc 0
47 mol 253 unq 3 iso 0 dist 7.0247 11.088 7.15815 10.9027 9.02271 4.93871 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 6.49599 11.5386 8.06771 14.1932 8.13497 6.64729 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 6.49599 11.5386 8.06771 13.8605 7.88519 9.79538 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 9.47382 12.8939 9.54857 13.8605 7.46176 15.3806 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 4.96568 9.37522 9.772 5.25115 8.4218 5.75478 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 7.22438 7.51377 9.96394 10.3544 8.33638 11.5918 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 8.27977 4.0145 7.74162 13.1217 9.70696 9.5773 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 5.69465 7.13877 9.20416 8.46956 8.2734 5.26243 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 5.69465 10.9754 7.53641 8.46956 8.2734 5.58251 numMergedOcc 0
