0 mol 88 unq 0 iso 0 dist 9.44737 13.7888 7.80898 4.88949 7.51139 12.1547 20.2968 12.1193 9.36773 16.8013 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 11.1668 9.64383 13.659 14.4342 10.4782 6.10456 17.4071 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 12.3835 7.78931 5.02887 14.4342 10.4782 6.10456 10.1136 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 8.3505 4.75138 5.10496 10.4417 5.92242 9.51923 5.9747 3.9764 5.08437 6.48948 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 11.3628 5.2571 8.40073 5.9747 3.9764 5.08437 6.10456 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 8.3505 4.75138 5.10496 13.9599 8.7497 10.2427 5.9747 3.9764 5.08437 10.1136 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 8.3505 10.4417 5.92242 4.75138 5.10496 9.51923 5.9747 3.9764 6.48948 5.08437 numMergedOcc 0
7 mol 98 unq 6 iso 0 dist 8.3505 10.4417 5.92242 11.3628 5.2571 9.42358 5.9747 3.9764 6.48948 6.10456 numMergedOcc 0
8 mol 98 unq 7 iso 0 dist 8.3505 10.4417 5.92242 13.9599 8.7497 13.9786 5.9747 3.9764 6.48948 10.1136 numMergedOcc 0
9 mol 98 unq 8 iso 0 dist 8.3505 11.3628 5.2571 4.75138 5.10496 8.40073 5.9747 3.9764 6.10456 5.08437 numMergedOcc 0
10 mol 98 unq 9 iso 0 dist 8.3505 11.3628 5.2571 10.4417 5.92242 9.42358 5.9747 3.9764 6.10456 6.48948 numMergedOcc 0
11 mol 98 unq 10 iso 0 dist 8.3505 11.3628 5.2571 13.9599 8.7497 5.02887 5.9747 3.9764 6.10456 10.1136 numMergedOcc 0
12 mol 98 unq 11 iso 0 dist 9.29816 14.676 7.54889 5.70962 9.64383 13.659 16.5524 10.4782 6.10456 17.4071 numMergedOcc 0
13 mol 98 unq 12 iso 0 dist 9.29816 14.676 7.54889 16.3389 7.78931 5.02887 16.5524 10.4782 6.10456 10.1136 numMergedOcc 0
14 mol 98 unq 13 iso 0 dist 5.08983 7.1452 7.54889 10.1978 9.64383 13.659 12.3884 10.4782 6.10456 17.4071 numMergedOcc 0
15 mol 98 unq 14 iso 0 dist 5.08983 7.1452 7.54889 4.96747 7.78931 5.02887 12.3884 10.4782 6.10456 10.1136 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 6.67635 10.0698 7.86666 11.8455 9.77497 17.2949 17.0778 13.0886 7.34473 21.5605 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 9.46621 10.6893 8.52024 10.404 9.89083 7.15843 11.1103 5.00433 8.69985 13.1098 numMergedOcc 0
18 mol 109 unq 2 iso 0 dist 9.94704 11.5656 8.52024 14.8479 9.89083 7.15843 8.3164 5.00433 8.69985 13.1098 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 11.8122 9.42082 7.69052 12.5192 6.63111 9.33865 5.83991 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 8.42219 5.24961 6.39384 11.8122 9.42082 7.69052 10.8398 6.07067 6.11741 7.88312 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 5.24961 6.39384 7.69052 18.633 15.3161 7.30858 13.8473 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 8.42219 11.8122 9.42082 5.24961 6.39384 7.69052 12.5192 6.63111 5.83991 9.33865 numMergedOcc 0
23 mol 115 unq 4 iso 0 dist 8.42219 11.8122 9.42082 5.24961 6.39384 7.69052 10.8398 6.07067 7.88312 6.11741 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 6.78655 5.27151 8.19331 4.45276 8.85711 7.21564 6.90827 3.55765 7.83136 7.0603 numMergedOcc 0
25 mol 117 unq 1 iso 0 dist 6.78655 4.45276 8.85711 5.27151 8.19331 7.21564 6.90827 3.55765 7.0603 7.83136 numMergedOcc 0
26 mol 117 unq 2 iso 0 dist 9.42037 10.6616 8.19331 4.98254 8.85711 7.21564 8.90977 3.55765 7.83136 7.0603 numMergedOcc 0
27 mol 117 unq 3 iso 0 dist 9.42037 4.98254 8.85711 10.6616 8.19331 7.21564 8.90977 3.55765 7.0603 7.83136 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 6.36794 8.69531 6.81259 9.55556 7.41373 8.94367 9.86662 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 6.36794 8.69531 6.81259 12.1043 10.8635 6.37586 9.71307 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.78303 11.9294 9.33094 6.36794 8.69531 6.81259 16.0579 12.3479 6.49416 12.5075 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.78303 6.36794 8.69531 11.9294 9.33094 6.81259 9.55556 7.41373 9.86662 8.94367 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.78303 6.36794 8.69531 11.9294 9.33094 6.81259 12.1043 10.8635 9.71307 6.37586 numMergedOcc 0
33 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 6.64464 7.68266 4.70068 16.5098 12.0033 9.87651 12.4733 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 8.77904 7.91498 9.2289 5.70785 7.6616 10.3445 16.5098 12.0033 9.87651 17.5366 numMergedOcc 0
35 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 6.64464 6.84752 4.70068 16.5098 11.6011 9.87651 12.4733 numMergedOcc 0
36 mol 167 unq 3 iso 0 dist 6.48993 7.91498 7.02548 5.70785 7.86563 10.3445 16.5098 11.6011 9.87651 17.5366 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 6.32334 6.31508 6.99769 5.72088 8.79428 6.77699 8.46129 5.76843 6.65832 6.60589 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 6.32334 6.31508 6.99769 6.51315 6.8692 11.328 8.46129 5.76843 6.65832 9.16166 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 6.32334 5.72088 8.79428 6.31508 6.99769 6.77699 8.39002 7.05804 6.57273 10.103 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 6.32334 5.72088 8.79428 6.31508 6.99769 6.77699 8.46129 5.76843 6.60589 6.65832 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 6.32334 5.72088 8.79428 6.51315 6.8692 8.49799 8.39002 7.05804 6.57273 5.78342 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 6.32334 5.72088 8.79428 6.51315 6.8692 8.49799 8.46129 5.76843 6.60589 9.16166 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 6.32334 6.51315 6.8692 6.31508 6.99769 11.328 8.39002 7.05804 5.78342 10.103 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 6.32334 6.51315 6.8692 6.31508 6.99769 11.328 8.46129 5.76843 9.16166 6.65832 numMergedOcc 0
45 mol 224 unq 8 iso 0 dist 6.32334 6.51315 6.8692 6.31508 6.99769 11.328 9.2053 4.54188 5.81334 10.9745 numMergedOcc 0
46 mol 224 unq 9 iso 0 dist 6.32334 6.51315 6.8692 5.72088 8.79428 8.49799 8.39002 7.05804 5.78342 6.57273 numMergedOcc 0
47 mol 224 unq 10 iso 0 dist 6.32334 6.51315 6.8692 5.72088 8.79428 8.49799 8.46129 5.76843 9.16166 6.60589 numMergedOcc 0
48 mol 224 unq 11 iso 0 dist 6.32334 6.51315 6.8692 5.72088 8.79428 8.49799 9.2053 4.54188 5.81334 10.5128 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 12.521 9.72188 15.7907 10.9193 10.3162 7.31233 19.5656 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.13727 12.521 9.72188 6.45589 9.12776 15.7907 9.94315 7.06793 5.72887 14.6111 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 8.56975 9.23693 9.12776 9.18011 9.72188 15.7907 14.9617 10.3162 7.31233 19.5656 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 8.56975 9.18011 9.72188 9.23693 9.12776 15.7907 8.59074 7.06793 5.72887 14.6111 numMergedOcc 0
53 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 5.82779 9.34438 11.347 13.2218 10.6736 6.16342 16.5158 numMergedOcc 0
54 mol 239 unq 1 iso 0 dist 7.63381 9.86326 6.73665 13.5224 9.35949 7.97994 13.2218 10.6736 6.16342 13.7154 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 5.59901 6.9899 9.98105 10.5892 10.067 7.46176 12.0576 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 5.41945 5.85442 9.98105 9.12507 7.09907 5.30224 11.858 numMergedOcc 0
57 mol 259 unq 2 iso 0 dist 7.72489 12.1767 9.46361 5.41945 6.95511 6.96053 13.6898 12.2293 8.13497 10.3935 numMergedOcc 0
58 mol 259 unq 3 iso 0 dist 7.72489 12.1767 9.46361 5.41945 6.95511 6.96053 10.5892 11.6988 7.88519 7.46176 numMergedOcc 0
59 mol 259 unq 4 iso 0 dist 7.72489 5.41945 6.95511 12.1767 9.46361 6.96053 10.5892 11.6988 7.46176 7.88519 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 9.13546 13.8765 8.29262 11.5671 9.19754 4.92077 19.6488 10.7813 9.17653 13.4025 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 7.19658 6.12009 8.29262 5.21164 9.19754 4.92077 10.7664 10.7813 9.17653 13.4025 numMergedOcc 0
