0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 9.74255 8.40416 7.75618 12.3215 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 9.74255 8.40416 12.3215 7.75618 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 4.97119 6.41575 10.741 6.41423 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 4.97119 6.41575 6.41423 10.741 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 9.74255 7.75618 8.40416 12.3215 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 9.74255 7.75618 12.3215 8.40416 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 4.97119 6.41423 10.741 6.41575 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 4.97119 6.41423 6.41575 10.741 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.38399 8.95682 12.3649 14.3789 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.38399 8.95682 14.3789 12.3649 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 8.10861 14.2075 16.3192 4.29856 6.14538 10.6808 10.4158 numMergedOcc 0
11 mol 54 unq 0 iso 1 dist 6.83299 8.10861 14.2075 9.5589 5.08001 16.3192 4.29856 6.14538 10.4158 10.6808 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 5.78774 9.92355 5.93884 7.68678 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 5.78774 9.92355 7.68678 5.93884 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 5.78774 5.93884 9.92355 7.68678 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 5.78774 5.93884 7.68678 9.92355 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 5.78774 7.68678 9.92355 5.93884 numMergedOcc 0
17 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 5.78774 7.68678 5.93884 9.92355 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 7.04075 9.90939 10.5084 10.1323 numMergedOcc 0
19 mol 60 unq 0 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 7.04075 9.90939 10.1323 10.5084 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.11416 9.24757 13.8696 13.0145 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.11416 9.24757 13.0145 13.8696 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 8.59017 10.4899 7.00674 11.4997 9.81166 14.6043 18.7078 numMergedOcc 0
23 mol 75 unq 0 iso 1 dist 7.79912 8.59017 10.4899 8.56639 5.64643 7.00674 11.4997 9.81166 18.7078 14.6043 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 13.5116 9.82915 12.0078 14.4382 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 13.5116 9.82915 14.4382 12.0078 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 4.65335 7.54568 10.0796 9.39864 numMergedOcc 0
27 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 4.65335 7.54568 9.39864 10.0796 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 5.73196 7.47541 6.87425 7.66905 10.1164 5.42586 4.65335 9.39864 10.0796 7.54568 numMergedOcc 0
29 mol 85 unq 2 iso 1 dist 5.73196 7.66905 10.1164 7.47541 6.87425 5.42586 4.65335 9.39864 7.54568 10.0796 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 7.06961 6.7117 9.42961 4.47349 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 7.06961 6.7117 4.47349 9.42961 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 7.06961 4.47349 6.7117 9.42961 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 7.06961 4.47349 9.42961 6.7117 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 9.35224 8.87654 7.80879 10.6848 7.10378 14.8081 15.2289 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 7.17106 9.35224 8.87654 9.60661 11.5403 7.80879 10.6848 7.10378 15.2289 14.8081 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 12.2861 8.30845 10.6086 18.1777 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 12.2861 8.30845 18.1777 10.6086 numMergedOcc 0
38 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 15.5385 8.76378 13.2102 14.0386 numMergedOcc 0
39 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 15.5385 8.76378 14.0386 13.2102 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 11.2312 7.38135 15.4031 17.2419 numMergedOcc 0
41 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 11.2312 7.38135 17.2419 15.4031 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 11.2312 7.38135 15.4031 19.8941 numMergedOcc 0
43 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 11.2312 7.38135 19.8941 15.4031 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 11.2312 7.38135 17.2419 19.8941 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 11.2312 7.38135 19.8941 17.2419 numMergedOcc 0
46 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 14.2045 8.70296 18.0058 12.6227 numMergedOcc 0
47 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 14.2045 8.70296 12.6227 18.0058 numMergedOcc 0
48 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 5.09131 9.25558 13.44 11.586 numMergedOcc 0
49 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 5.09131 9.25558 11.586 13.44 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 9.91388 9.52634 6.69554 7.24514 6.761 7.6656 4.34568 9.97654 6.66772 7.71248 numMergedOcc 0
51 mol 133 unq 0 iso 1 dist 9.91388 7.24514 6.761 9.52634 6.69554 7.6656 4.34568 9.97654 7.71248 6.66772 numMergedOcc 0
52 mol 133 unq 1 iso 0 dist 9.52634 9.91388 6.69554 7.24514 7.6656 6.761 4.34568 6.66772 9.97654 7.71248 numMergedOcc 0
53 mol 133 unq 1 iso 1 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 4.34568 6.66772 7.71248 9.97654 numMergedOcc 0
54 mol 133 unq 2 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 4.34568 7.71248 9.97654 6.66772 numMergedOcc 0
55 mol 133 unq 2 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 4.34568 7.71248 6.66772 9.97654 numMergedOcc 0
56 mol 133 unq 3 iso 0 dist 6.29155 6.80239 7.81217 8.00618 11.965 7.79672 4.54648 6.16242 5.87634 10.9061 numMergedOcc 0
57 mol 133 unq 3 iso 1 dist 6.29155 8.00618 11.965 6.80239 7.81217 7.79672 4.54648 6.16242 10.9061 5.87634 numMergedOcc 0
58 mol 133 unq 4 iso 0 dist 6.80239 6.29155 7.81217 8.00618 7.79672 11.965 4.54648 5.87634 6.16242 10.9061 numMergedOcc 0
59 mol 133 unq 4 iso 1 dist 6.80239 8.00618 7.79672 6.29155 7.81217 11.965 4.54648 5.87634 10.9061 6.16242 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 9.87376 7.80532 10.5252 10.7586 numMergedOcc 0
61 mol 134 unq 0 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 9.87376 7.80532 10.7586 10.5252 numMergedOcc 0
62 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 5.4555 9.44367 7.90267 10.3379 numMergedOcc 0
63 mol 156 unq 0 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 5.4555 9.44367 10.3379 7.90267 numMergedOcc 0
64 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 11.9952 9.47433 14.7758 13.0431 numMergedOcc 0
65 mol 156 unq 1 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 11.9952 9.47433 13.0431 14.7758 numMergedOcc 0
66 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 5.4555 7.90267 9.44367 10.3379 numMergedOcc 0
67 mol 156 unq 2 iso 1 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 5.4555 7.90267 10.3379 9.44367 numMergedOcc 0
68 mol 175 unq 0 iso 0 dist 6.57069 9.0018 8.16421 5.6234 5.35493 6.2715 8.29015 9.77896 10.4182 11.6765 numMergedOcc 0
69 mol 175 unq 0 iso 1 dist 6.57069 5.6234 5.35493 9.0018 8.16421 6.2715 8.29015 9.77896 11.6765 10.4182 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 6.6251 6.2479 7.99195 12.8533 numMergedOcc 0
71 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 6.6251 6.2479 12.8533 7.99195 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 5.6044 9.72611 14.2254 10.428 numMergedOcc 0
73 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 5.6044 9.72611 10.428 14.2254 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.6251 7.99195 6.2479 12.8533 numMergedOcc 0
75 mol 181 unq 2 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.6251 7.99195 12.8533 6.2479 numMergedOcc 0
76 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 8.87694 14.9058 5.74635 5.4141 7.66165 12.4002 14.0016 numMergedOcc 0
77 mol 186 unq 0 iso 1 dist 9.70748 8.87694 14.9058 7.54065 13.8792 5.74635 5.4141 7.66165 14.0016 12.4002 numMergedOcc 0
78 mol 186 unq 1 iso 0 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 11.7429 8.73217 17.7621 14.2425 numMergedOcc 0
79 mol 186 unq 1 iso 1 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 11.7429 8.73217 14.2425 17.7621 numMergedOcc 0
80 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 10.3603 5.44002 12.3113 17.9798 numMergedOcc 0
81 mol 205 unq 0 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 10.3603 5.44002 17.9798 12.3113 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 8.81835 7.98231 11.6972 7.08526 numMergedOcc 0
83 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 8.81835 7.98231 7.08526 11.6972 numMergedOcc 0
84 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 8.81835 7.98231 11.6972 15.8414 numMergedOcc 0
85 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 8.81835 7.98231 15.8414 11.6972 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 8.81835 7.98231 7.08526 15.8414 numMergedOcc 0
87 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 8.81835 7.98231 15.8414 7.08526 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 8.81835 7.08526 7.98231 11.6972 numMergedOcc 0
89 mol 259 unq 2 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 8.81835 7.08526 11.6972 7.98231 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 8.81835 7.08526 7.98231 15.8414 numMergedOcc 0
91 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 8.81835 7.08526 15.8414 7.98231 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 8.81835 7.08526 11.6972 15.8414 numMergedOcc 0
93 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 8.81835 7.08526 15.8414 11.6972 numMergedOcc 0
94 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 9.2983 8.05475 8.55278 9.25493 8.49177 12.8175 12.7219 numMergedOcc 0
95 mol 273 unq 0 iso 1 dist 9.01049 9.2983 8.05475 6.92774 7.03728 8.55278 9.25493 8.49177 12.7219 12.8175 numMergedOcc 0
