0 mol 16 unq 0 iso 0 dist 6.36377 5.48395 6.31718 12.9591 10.8455 7.63133 9.8871 4.65873 8.43054 9.81307 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 14.4535 10.0952 6.86014 10.4056 5.11636 7.95042 5.69214 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 10.5993 4.33106 7.57578 8.27137 11.4148 4.79873 10.2864 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.88413 5.59268 7.17969 10.5993 4.33106 7.57578 13.4236 5.68041 9.48085 5.18617 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.87281 6.17631 7.31767 7.63928 4.51512 6.03987 12.3312 6.10919 7.6114 5.86705 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.63928 6.17631 6.03987 9.87281 4.51512 7.31767 12.3312 5.86705 7.6114 6.10919 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 13.3732 5.06502 5.73819 12.266 5.41726 6.75943 4.96926 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.9363 6.45462 8.93915 12.266 5.41726 6.75943 10.0383 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 14.4598 8.81358 7.58835 13.4674 6.42339 9.33906 5.1274 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 10.3954 6.05545 9.21998 11.5355 7.31539 6.56212 11.1607 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 10.7234 6.05545 9.21998 11.9689 7.31539 6.56212 11.1607 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 12.0576 15.6249 8.27883 4.99174 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 10.4457 12.4896 5.75428 4.46005 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 9.70292 14.2178 8.57395 8.28518 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 9.59704 8.78079 9.85409 15.917 numMergedOcc 0
15 mol 95 unq 4 iso 0 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 12.0576 15.6249 8.27883 8.67311 numMergedOcc 0
16 mol 95 unq 5 iso 0 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 10.4457 12.4896 5.75428 3.94293 numMergedOcc 0
17 mol 95 unq 6 iso 0 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 9.70292 14.2178 8.57395 9.22202 numMergedOcc 0
18 mol 95 unq 7 iso 0 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 9.59704 8.78079 9.85409 13.7484 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 15.2429 10.3209 7.69765 4.48636 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 16.2777 15.3161 9.42082 6.63111 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 15.2429 10.3209 7.69765 11.835 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 16.2777 15.3161 9.42082 6.07067 numMergedOcc 0
23 mol 115 unq 4 iso 0 dist 5.02717 6.75472 5.83991 12.5189 7.69052 9.33865 9.5681 6.01673 6.24825 6.95773 numMergedOcc 0
24 mol 115 unq 5 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 9.47795 6.07067 6.39384 6.63111 numMergedOcc 0
25 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 16.4805 11.835 7.69765 10.3209 numMergedOcc 0
26 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 9.47795 6.07067 9.42082 15.3161 numMergedOcc 0
27 mol 115 unq 8 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 16.4805 11.835 7.69765 4.48636 numMergedOcc 0
28 mol 115 unq 9 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 9.47795 6.07067 9.42082 6.63111 numMergedOcc 0
29 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 9.29473 6.07067 6.39384 6.63111 numMergedOcc 0
30 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 17.9091 11.835 7.69765 10.3209 numMergedOcc 0
31 mol 115 unq 12 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 9.29473 6.07067 9.42082 15.3161 numMergedOcc 0
32 mol 115 unq 13 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 17.9091 11.835 7.69765 4.48636 numMergedOcc 0
33 mol 115 unq 14 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 9.29473 6.07067 9.42082 6.63111 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 18.7881 13.1058 9.84395 15.0886 10.5783 6.10127 6.57678 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 20.7361 13.1058 9.84395 18.6425 10.5783 6.10127 6.57678 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 15.5083 11.965 6.29155 13.1452 15.0115 8.77023 13.0405 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 11.5178 7.79672 6.80239 13.1452 15.0115 8.77023 13.7612 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 12.3555 7.41373 9.33094 10.8635 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 14.0674 8.80819 6.49416 12.3555 7.41373 9.33094 12.3479 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 14.5777 12.8086 9.1998 15.0225 numMergedOcc 0
41 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 12.3555 7.41373 8.69531 10.8635 numMergedOcc 0
42 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 9.92932 5.49782 8.94367 12.3555 10.8635 9.33094 7.41373 numMergedOcc 0
43 mol 134 unq 5 iso 0 dist 9.60411 10.5108 6.37586 14.0674 5.00817 6.49416 12.3555 10.8635 9.33094 12.3479 numMergedOcc 0
44 mol 134 unq 6 iso 0 dist 9.60411 6.20443 9.71307 9.92932 5.49782 9.86662 14.5777 15.0225 9.1998 12.8086 numMergedOcc 0
45 mol 134 unq 7 iso 0 dist 9.60411 6.20443 9.71307 9.92932 5.49782 9.86662 12.3555 10.8635 8.69531 7.41373 numMergedOcc 0
46 mol 134 unq 8 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 8.78303 7.41373 9.33094 10.8635 numMergedOcc 0
47 mol 134 unq 9 iso 0 dist 9.55556 11.9294 8.94367 16.0579 8.80819 6.49416 8.78303 7.41373 9.33094 12.3479 numMergedOcc 0
48 mol 134 unq 10 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 10.6236 12.8086 9.1998 15.0225 numMergedOcc 0
49 mol 134 unq 11 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 8.78303 7.41373 8.69531 10.8635 numMergedOcc 0
50 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 13.1529 5.42328 5.87555 12.0918 5.39112 6.70693 4.94983 numMergedOcc 0
51 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.6103 6.4896 8.67331 12.0918 5.39112 6.70693 9.67475 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 6.752 4.2475 7.45763 13.2057 11.8283 9.61492 6.41148 8.67921 6.49765 10.6504 numMergedOcc 0
53 mol 205 unq 1 iso 0 dist 5.4913 6.8901 7.45763 13.3164 11.8283 9.61492 5.06713 8.67921 6.49765 10.6504 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 8.46129 5.0744 6.60589 6.32334 7.05804 8.79428 5.76843 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 8.46129 5.0744 9.16166 6.32334 7.05804 6.8692 5.76843 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 9.2053 5.60236 5.81334 6.32334 7.05804 6.8692 4.54188 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 8.39002 5.0744 6.57273 6.32334 5.76843 8.79428 7.05804 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 8.46129 6.51315 9.16166 8.39002 5.0744 5.78342 6.32334 5.76843 6.8692 7.05804 numMergedOcc 0
59 mol 224 unq 5 iso 0 dist 8.46129 6.51315 9.16166 9.2053 6.91102 5.81334 6.32334 5.76843 6.8692 4.54188 numMergedOcc 0
60 mol 224 unq 6 iso 0 dist 9.2053 6.51315 5.81334 8.39002 5.60236 5.78342 6.32334 4.54188 6.8692 7.05804 numMergedOcc 0
61 mol 224 unq 7 iso 0 dist 9.2053 6.51315 5.81334 8.46129 6.91102 9.16166 6.32334 4.54188 6.8692 5.76843 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 11.3366 4.39704 7.22101 13.0848 5.83175 5.23634 5.0317 numMergedOcc 0
63 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 11.3361 5.79505 9.81562 13.747 4.89609 9.3206 4.27181 numMergedOcc 0
64 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 13.747 4.89609 9.3206 10.5774 numMergedOcc 0
65 mol 236 unq 2 iso 0 dist 5.66569 4.15973 6.27581 12.3675 9.90963 9.81562 11.2893 10.5774 9.3206 4.27181 numMergedOcc 0
66 mol 236 unq 3 iso 0 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 11.2893 10.5774 9.3206 4.89609 numMergedOcc 0
67 mol 236 unq 4 iso 0 dist 6.11137 9.01197 6.27581 14.8917 9.90963 9.81562 14.0625 10.5774 9.3206 4.27181 numMergedOcc 0
68 mol 236 unq 5 iso 0 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 14.0625 10.5774 9.3206 4.89609 numMergedOcc 0
69 mol 238 unq 0 iso 0 dist 9.66555 12.2428 6.22714 11.6545 5.34096 7.31233 12.6412 12.7938 9.08509 11.0772 numMergedOcc 0
70 mol 238 unq 1 iso 0 dist 8.67205 8.66185 6.22714 11.1363 5.34096 7.31233 9.72795 12.7938 9.08509 11.0772 numMergedOcc 0
71 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 9.73107 4.69778 7.88519 16.793 12.2293 9.46361 11.6988 numMergedOcc 0
72 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 12.3391 10.582 8.53687 13.9131 8.8603 9.07743 6.73882 numMergedOcc 0
73 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 14.2921 7.20604 9.63573 5.05362 numMergedOcc 0
74 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 13.9131 8.8603 7.66153 5.8801 numMergedOcc 0
75 mol 259 unq 4 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 14.2921 7.20604 9.63573 5.21606 numMergedOcc 0
76 mol 259 unq 5 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 13.9131 8.8603 7.66153 11.8896 numMergedOcc 0
77 mol 259 unq 6 iso 0 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 14.2921 7.20604 9.63573 7.46841 numMergedOcc 0
78 mol 259 unq 7 iso 0 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 13.9131 8.8603 7.66153 5.81576 numMergedOcc 0
79 mol 259 unq 8 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 13.6312 5.21606 9.63573 7.20604 numMergedOcc 0
80 mol 259 unq 9 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 21.0823 11.8896 7.66153 8.8603 numMergedOcc 0
81 mol 259 unq 10 iso 0 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 13.6312 5.21606 9.63573 5.05362 numMergedOcc 0
82 mol 259 unq 11 iso 0 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 21.0823 11.8896 7.66153 5.8801 numMergedOcc 0
83 mol 259 unq 12 iso 0 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 13.6312 5.21606 9.63573 7.46841 numMergedOcc 0
84 mol 259 unq 13 iso 0 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 21.0823 11.8896 7.66153 5.81576 numMergedOcc 0
