0 mol 24 unq 0 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 9.79529 5.11636 8.86116 10.0952 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 9.88461 5.69214 6.86014 10.0952 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.74209 10.4413 6.75943 12.0618 4.96926 5.73819 8.06275 5.41726 6.20293 5.06502 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 12.0618 4.96926 5.73819 5.06502 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 12.0618 4.96926 5.73819 14.4184 10.0383 8.93915 5.89973 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 8.74209 10.4413 6.75943 14.4184 10.0383 8.93915 12.0618 4.96926 5.73819 5.89973 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 14.4184 10.0383 8.93915 6.45462 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.74209 10.4413 6.75943 14.4184 10.0383 8.93915 8.06275 5.41726 6.20293 6.45462 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 9.85555 12.902 6.75943 14.4841 4.96926 5.73819 13.5835 5.41726 6.20293 5.06502 numMergedOcc 0
9 mol 43 unq 2 iso 1 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 14.4841 4.96926 5.73819 5.06502 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 9.85555 12.902 6.75943 14.4841 4.96926 5.73819 19.4359 10.0383 8.93915 5.89973 numMergedOcc 0
11 mol 43 unq 3 iso 1 dist 9.85555 12.902 6.75943 19.4359 10.0383 8.93915 14.4841 4.96926 5.73819 5.89973 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 19.4359 10.0383 8.93915 6.45462 numMergedOcc 0
13 mol 43 unq 3 iso 1 dist 9.85555 12.902 6.75943 19.4359 10.0383 8.93915 13.5835 5.41726 6.20293 6.45462 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 9.96562 8.67311 8.83255 6.59319 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 7.90775 4.99174 9.03572 6.59319 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 7.90775 4.99174 9.03572 11.3191 15.6249 8.03644 16.6055 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 7.90775 4.99174 9.03572 16.6055 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 9.96562 8.67311 8.83255 11.3191 15.6249 8.03644 13.8105 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 9.96562 8.67311 8.83255 13.8105 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 9.96562 3.94293 8.83255 6.59319 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 7.90775 4.46005 9.03572 6.59319 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 7.90775 4.46005 9.03572 11.3191 12.4896 8.03644 16.6055 numMergedOcc 0
23 mol 95 unq 3 iso 1 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 7.90775 4.46005 9.03572 16.6055 numMergedOcc 0
24 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 9.96562 3.94293 8.83255 11.3191 12.4896 8.03644 13.8105 numMergedOcc 0
25 mol 95 unq 3 iso 1 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 9.96562 3.94293 8.83255 13.8105 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 9.96562 9.22202 8.83255 6.59319 numMergedOcc 0
27 mol 95 unq 4 iso 1 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 7.90775 8.28518 9.03572 6.59319 numMergedOcc 0
28 mol 95 unq 5 iso 0 dist 5.96246 4.16047 8.57395 7.90775 8.28518 9.03572 11.3191 14.2178 8.03644 16.6055 numMergedOcc 0
29 mol 95 unq 5 iso 1 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 7.90775 8.28518 9.03572 16.6055 numMergedOcc 0
30 mol 95 unq 5 iso 0 dist 5.96246 4.16047 8.57395 9.96562 9.22202 8.83255 11.3191 14.2178 8.03644 13.8105 numMergedOcc 0
31 mol 95 unq 5 iso 1 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 9.96562 9.22202 8.83255 13.8105 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 9.79979 4.48636 5.83991 10.8507 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 18.5013 10.3209 7.30858 10.8507 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 16.7328 11.835 7.88312 11.5723 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 18.5013 10.3209 7.30858 11.5723 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 16.7328 11.835 7.88312 8.02349 numMergedOcc 0
37 mol 115 unq 1 iso 1 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 9.79979 4.48636 5.83991 8.02349 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 8.54304 5.98221 6.24825 13.352 6.95773 9.33865 11.172 6.01673 5.83991 7.69052 numMergedOcc 0
39 mol 115 unq 2 iso 1 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 13.352 6.95773 9.33865 7.69052 numMergedOcc 0
40 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.9305 6.57678 9.84395 13.8533 10.5783 7.90328 13.1058 numMergedOcc 0
41 mol 117 unq 0 iso 1 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 13.9305 6.57678 9.84395 13.1058 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 10.5814 15.0225 9.71307 5.49782 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 9.79337 12.8086 9.86662 5.49782 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 10.5814 10.8635 6.37586 5.49782 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 9.79337 7.41373 8.94367 5.49782 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 9.42271 12.3479 6.49416 8.80819 numMergedOcc 0
47 mol 134 unq 2 iso 1 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 9.79337 7.41373 8.94367 8.80819 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 9.42271 12.3479 6.49416 5.00817 numMergedOcc 0
49 mol 134 unq 2 iso 1 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 10.5814 10.8635 6.37586 5.00817 numMergedOcc 0
50 mol 134 unq 3 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 10.5814 10.8635 9.71307 5.49782 numMergedOcc 0
51 mol 134 unq 3 iso 1 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 9.79337 7.41373 9.86662 5.49782 numMergedOcc 0
52 mol 152 unq 0 iso 0 dist 9.4275 10.5295 6.70693 12.6531 4.94983 5.87555 8.34839 5.39112 6.70283 5.42328 numMergedOcc 0
53 mol 152 unq 0 iso 1 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 12.6531 4.94983 5.87555 5.42328 numMergedOcc 0
54 mol 152 unq 1 iso 0 dist 9.4275 10.5295 6.70693 12.6531 4.94983 5.87555 14.5994 9.67475 8.67331 5.54906 numMergedOcc 0
55 mol 152 unq 1 iso 1 dist 9.4275 10.5295 6.70693 14.5994 9.67475 8.67331 12.6531 4.94983 5.87555 5.54906 numMergedOcc 0
56 mol 152 unq 1 iso 0 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 14.5994 9.67475 8.67331 6.4896 numMergedOcc 0
57 mol 152 unq 1 iso 1 dist 9.4275 10.5295 6.70693 14.5994 9.67475 8.67331 8.34839 5.39112 6.70283 6.4896 numMergedOcc 0
58 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 13.7769 9.49403 6.03031 16.4532 13.514 7.26832 7.38516 numMergedOcc 0
59 mol 205 unq 0 iso 1 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 13.7769 9.49403 6.03031 7.38516 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 6.32553 9.40714 6.52816 13.7769 9.49403 6.03031 9.25882 3.56269 7.80463 8.18714 numMergedOcc 0
61 mol 205 unq 1 iso 1 dist 6.32553 9.40714 6.52816 9.25882 3.56269 7.80463 13.7769 9.49403 6.03031 8.18714 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 9.25882 3.56269 7.80463 13.8543 numMergedOcc 0
63 mol 205 unq 1 iso 1 dist 6.32553 9.40714 6.52816 9.25882 3.56269 7.80463 16.4532 13.514 7.26832 13.8543 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.32302 5.70473 8.22528 6.88694 7.22525 7.03423 5.57838 numMergedOcc 0
65 mol 229 unq 0 iso 1 dist 9.90415 6.52416 7.27993 6.88694 7.22525 7.03423 6.32302 5.70473 8.22528 5.57838 numMergedOcc 0
66 mol 229 unq 1 iso 0 dist 5.96615 6.81165 7.27993 8.53615 5.70473 8.22528 11.0334 7.22525 7.03423 5.57838 numMergedOcc 0
67 mol 229 unq 1 iso 1 dist 5.96615 6.81165 7.27993 11.0334 7.22525 7.03423 8.53615 5.70473 8.22528 5.57838 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 21.1847 12.4252 9.45496 13.4679 5.75498 6.7625 7.82322 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 9.73257 14.9272 7.81215 13.4679 5.75498 6.7625 21.1847 12.4252 9.45496 7.82322 numMergedOcc 0
