0 mol 11 unq 0 iso 0 dist 6.50001 3.77561 6.54358 5.95165 4.10106 4.61088 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 11.0331 12.6536 9.51761 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.39307 4.25207 5.65084 11.4245 9.36767 7.3094 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 8.6396 6.47509 5.04899 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 9.44737 13.7888 7.80898 20.2968 12.1193 9.36773 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 numMergedOcc 0
13 mol 95 unq 4 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 numMergedOcc 0
14 mol 95 unq 5 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 6.67635 10.0698 7.86666 17.0778 13.0886 7.34473 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 9.46621 10.6893 8.52024 11.1103 5.00433 8.69985 numMergedOcc 0
25 mol 109 unq 2 iso 0 dist 9.94704 11.5656 8.52024 8.3164 5.00433 8.69985 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 6.12348 14.0364 8.80934 10.783 5.70579 5.86073 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 7.2672 12.1308 8.80934 11.0486 5.70579 5.86073 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 6.31773 5.28901 6.04595 5.02717 5.03039 7.30858 numMergedOcc 0
29 mol 115 unq 1 iso 0 dist 8.42219 5.24961 6.39384 12.5192 6.63111 9.33865 numMergedOcc 0
30 mol 115 unq 2 iso 0 dist 8.42219 5.24961 6.39384 10.8398 6.07067 6.11741 numMergedOcc 0
31 mol 115 unq 3 iso 0 dist 8.42219 11.8122 9.42082 18.633 15.3161 7.30858 numMergedOcc 0
32 mol 115 unq 4 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 numMergedOcc 0
33 mol 115 unq 5 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 6.78655 5.27151 8.19331 6.90827 3.55765 7.83136 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 6.78655 4.45276 8.85711 6.90827 3.55765 7.0603 numMergedOcc 0
36 mol 117 unq 2 iso 0 dist 9.42037 10.6616 8.19331 8.90977 3.55765 7.83136 numMergedOcc 0
37 mol 117 unq 3 iso 0 dist 9.42037 4.98254 8.85711 8.90977 3.55765 7.0603 numMergedOcc 0
38 mol 127 unq 0 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 10.2333 12.1739 8.54584 numMergedOcc 0
40 mol 129 unq 1 iso 0 dist 8.09774 5.56946 5.51197 13.5311 12.1739 8.54584 numMergedOcc 0
41 mol 129 unq 2 iso 0 dist 7.90844 6.43966 8.86944 10.2333 5.63254 8.54584 numMergedOcc 0
42 mol 130 unq 0 iso 0 dist 5.82945 3.96103 6.93139 5.49877 4.97996 8.70949 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 9.10434 5.6098 9.27976 6.31125 3.98662 8.40312 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 numMergedOcc 0
48 mol 134 unq 4 iso 0 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 numMergedOcc 0
49 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 11.8539 13.5913 9.2313 numMergedOcc 0
50 mol 142 unq 1 iso 0 dist 9.15758 7.17402 7.18002 12.2814 9.99555 7.73169 numMergedOcc 0
51 mol 142 unq 2 iso 0 dist 9.15758 7.17402 7.18002 13.141 6.52253 8.96657 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 13.0657 9.16779 7.46303 numMergedOcc 0
53 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 10.6076 4.91785 6.43582 numMergedOcc 0
54 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 16.5098 12.0033 9.87651 numMergedOcc 0
55 mol 167 unq 1 iso 0 dist 6.48993 7.91498 7.02548 16.5098 11.6011 9.87651 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 6.41148 4.2475 6.49765 13.2057 10.6504 9.61492 numMergedOcc 0
57 mol 205 unq 1 iso 0 dist 6.41148 4.2475 6.49765 6.752 8.67921 7.45763 numMergedOcc 0
58 mol 205 unq 2 iso 0 dist 5.06713 6.8901 6.49765 13.3164 10.6504 9.61492 numMergedOcc 0
59 mol 205 unq 3 iso 0 dist 5.06713 6.8901 6.49765 5.4913 8.67921 7.45763 numMergedOcc 0
60 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 16.8669 13.1538 8.77153 numMergedOcc 0
61 mol 223 unq 1 iso 0 dist 9.6936 8.78003 9.33543 13.1127 5.39728 8.6166 numMergedOcc 0
62 mol 223 unq 2 iso 0 dist 9.36733 5.33327 9.33543 13.9834 13.1538 8.77153 numMergedOcc 0
63 mol 223 unq 3 iso 0 dist 9.36733 5.33327 9.33543 11.478 5.39728 8.6166 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 6.32334 6.31508 6.99769 8.46129 5.76843 6.65832 numMergedOcc 0
65 mol 224 unq 1 iso 0 dist 6.32334 5.72088 8.79428 8.39002 7.05804 6.57273 numMergedOcc 0
66 mol 224 unq 2 iso 0 dist 6.32334 5.72088 8.79428 8.46129 5.76843 6.60589 numMergedOcc 0
67 mol 224 unq 3 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 numMergedOcc 0
68 mol 224 unq 4 iso 0 dist 6.32334 6.51315 6.8692 8.46129 5.76843 9.16166 numMergedOcc 0
69 mol 224 unq 5 iso 0 dist 6.32334 6.51315 6.8692 9.2053 4.54188 5.81334 numMergedOcc 0
70 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 10.9193 10.3162 7.31233 numMergedOcc 0
71 mol 238 unq 1 iso 0 dist 7.13727 12.521 9.72188 9.94315 7.06793 5.72887 numMergedOcc 0
72 mol 238 unq 2 iso 0 dist 8.56975 9.23693 9.12776 14.9617 10.3162 7.31233 numMergedOcc 0
73 mol 238 unq 3 iso 0 dist 8.56975 9.18011 9.72188 8.59074 7.06793 5.72887 numMergedOcc 0
74 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 13.2218 10.6736 6.16342 numMergedOcc 0
75 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 numMergedOcc 0
76 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 numMergedOcc 0
77 mol 259 unq 2 iso 0 dist 7.72489 12.1767 9.46361 13.6898 12.2293 8.13497 numMergedOcc 0
78 mol 259 unq 3 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 numMergedOcc 0
79 mol 259 unq 4 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 numMergedOcc 0
80 mol 264 unq 0 iso 0 dist 9.13546 13.8765 8.29262 19.6488 10.7813 9.17653 numMergedOcc 0
81 mol 264 unq 1 iso 0 dist 7.19658 6.12009 8.29262 10.7664 10.7813 9.17653 numMergedOcc 0
82 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 9.30668 7.8414 8.2734 numMergedOcc 0
