0 mol 16 unq 0 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 12.9591 10.8455 7.63133 12.5273 9.8871 4.65873 8.43054 6.57331 9.81307 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 14.4535 10.0952 6.86014 12.5077 10.4056 5.11636 7.95042 10.9819 5.69214 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 13.3732 5.06502 5.73819 10.5523 12.266 5.41726 6.75943 6.6263 4.96926 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 12.9363 6.45462 8.93915 14.7803 12.266 5.41726 6.75943 6.6263 10.0383 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 4.18584 6.43774 5.24762 14.4598 8.81358 7.58835 11.2563 13.4674 6.42339 9.33906 11.5679 5.1274 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.5791 16.6055 9.03572 16.9836 12.0576 15.6249 8.27883 15.6447 4.99174 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.5791 16.6055 9.03572 16.9836 10.4457 12.4896 5.75428 14.0772 4.46005 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.5791 16.6055 9.03572 16.9836 9.70292 14.2178 8.57395 14.1515 8.28518 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.5791 16.6055 9.03572 16.9836 9.59704 8.78079 9.85409 10.3132 15.917 numMergedOcc 0
9 mol 95 unq 4 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 12.0576 15.6249 8.27883 15.6447 8.67311 numMergedOcc 0
10 mol 95 unq 5 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 10.4457 12.4896 5.75428 14.0772 3.94293 numMergedOcc 0
11 mol 95 unq 6 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 9.70292 14.2178 8.57395 14.1515 9.22202 numMergedOcc 0
12 mol 95 unq 7 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 13.9545 13.8105 8.83255 16.9811 9.59704 8.78079 9.85409 10.3132 13.7484 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 12.5189 7.69052 9.33865 13.8473 9.5681 6.01673 6.24825 13.22 6.95773 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 12.5189 7.69052 9.33865 6.11741 9.5681 6.01673 6.24825 10.0255 6.95773 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 12.6493 8.02349 9.33865 5.83991 9.47795 6.07067 6.39384 9.42082 6.63111 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.1021 11.5723 7.30858 13.8473 16.4805 11.835 7.69765 13.4105 10.3209 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.1021 11.5723 7.30858 13.8473 9.47795 6.07067 9.42082 6.39384 15.3161 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 12.6493 8.02349 5.83991 9.33865 16.4805 11.835 7.69765 13.4105 4.48636 numMergedOcc 0
19 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 12.6493 8.02349 5.83991 9.33865 9.47795 6.07067 9.42082 6.39384 6.63111 numMergedOcc 0
20 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 13.7044 8.02349 9.33865 5.83991 9.29473 6.07067 6.39384 9.42082 6.63111 numMergedOcc 0
21 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.0624 11.5723 7.30858 13.8473 17.9091 11.835 7.69765 13.4105 10.3209 numMergedOcc 0
22 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.0624 11.5723 7.30858 13.8473 9.29473 6.07067 9.42082 6.39384 15.3161 numMergedOcc 0
23 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 13.7044 8.02349 5.83991 9.33865 17.9091 11.835 7.69765 13.4105 4.48636 numMergedOcc 0
24 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 13.7044 8.02349 5.83991 9.33865 9.29473 6.07067 9.42082 6.39384 6.63111 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 18.7881 13.1058 9.84395 16.5575 15.0886 10.5783 6.10127 11.6387 6.57678 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 18.7881 13.1058 9.84395 17.163 15.0886 10.5783 6.10127 14.762 6.57678 numMergedOcc 0
27 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 20.7361 13.1058 9.84395 16.5575 18.6425 10.5783 6.10127 11.6387 6.57678 numMergedOcc 0
28 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 20.7361 13.1058 9.84395 17.163 18.6425 10.5783 6.10127 14.762 6.57678 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 15.5083 11.965 6.29155 13.268 13.1452 15.0115 8.77023 12.5855 13.0405 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 11.5178 7.79672 6.80239 12.6651 13.1452 15.0115 8.77023 12.5855 13.7612 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 9.60411 5.49782 6.37586 9.71307 12.3555 7.41373 9.33094 8.69531 10.8635 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 14.0674 8.80819 6.49416 12.5075 12.3555 7.41373 9.33094 8.69531 12.3479 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 9.60411 5.49782 9.71307 6.37586 14.5777 12.8086 9.1998 11.0808 15.0225 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 9.60411 5.49782 9.71307 6.37586 12.3555 7.41373 8.69531 9.33094 10.8635 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 9.92932 5.49782 8.94367 9.86662 12.3555 10.8635 9.33094 8.69531 7.41373 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 14.0674 5.00817 6.49416 12.5075 12.3555 10.8635 9.33094 8.69531 12.3479 numMergedOcc 0
37 mol 134 unq 6 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 9.92932 5.49782 9.86662 8.94367 14.5777 15.0225 9.1998 11.0808 12.8086 numMergedOcc 0
38 mol 134 unq 7 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 9.92932 5.49782 9.86662 8.94367 12.3555 10.8635 8.69531 9.33094 7.41373 numMergedOcc 0
39 mol 134 unq 8 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 12.1043 5.49782 6.37586 9.71307 8.78303 7.41373 9.33094 8.69531 10.8635 numMergedOcc 0
40 mol 134 unq 9 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 16.0579 8.80819 6.49416 12.5075 8.78303 7.41373 9.33094 8.69531 12.3479 numMergedOcc 0
41 mol 134 unq 10 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 12.1043 5.49782 9.71307 6.37586 10.6236 12.8086 9.1998 11.0808 15.0225 numMergedOcc 0
42 mol 134 unq 11 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 12.1043 5.49782 9.71307 6.37586 8.78303 7.41373 8.69531 9.33094 10.8635 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 13.1529 5.42328 5.87555 10.399 12.0918 5.39112 6.70693 6.59889 4.94983 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 12.6103 6.4896 8.67331 14.1618 12.0918 5.39112 6.70693 6.59889 9.67475 numMergedOcc 0
45 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 13.1529 5.42328 5.87555 8.87437 12.0918 5.39112 6.70693 10.4895 4.94983 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 12.6103 6.4896 8.67331 8.05741 12.0918 5.39112 6.70693 10.4895 9.67475 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 9.98893 8.95269 4.70378 8.46129 5.0744 6.60589 9.99123 6.32334 7.05804 8.79428 13.2325 5.76843 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 8.46129 5.0744 6.60589 9.16166 6.32334 7.05804 8.79428 6.8692 5.76843 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 8.46129 5.0744 9.16166 9.99123 6.32334 7.05804 6.8692 13.2325 5.76843 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 9.2053 5.60236 5.81334 14.0676 6.32334 7.05804 6.8692 13.2325 4.54188 numMergedOcc 0
51 mol 224 unq 4 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 8.46129 5.0744 9.16166 6.60589 6.32334 7.05804 6.8692 8.79428 5.76843 numMergedOcc 0
52 mol 224 unq 5 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 9.2053 5.60236 5.81334 10.5128 6.32334 7.05804 6.8692 8.79428 4.54188 numMergedOcc 0
53 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 8.39002 5.0744 6.57273 10.103 6.32334 5.76843 8.79428 6.99769 7.05804 numMergedOcc 0
54 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 8.39002 5.0744 6.57273 5.78342 6.32334 5.76843 8.79428 6.8692 7.05804 numMergedOcc 0
55 mol 224 unq 8 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 8.39002 5.0744 5.78342 10.103 6.32334 5.76843 6.8692 6.99769 7.05804 numMergedOcc 0
56 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 9.2053 6.91102 5.81334 10.9745 6.32334 5.76843 6.8692 6.99769 4.54188 numMergedOcc 0
57 mol 224 unq 10 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 8.39002 5.0744 5.78342 6.57273 6.32334 5.76843 6.8692 8.79428 7.05804 numMergedOcc 0
58 mol 224 unq 11 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 9.2053 6.91102 5.81334 10.5128 6.32334 5.76843 6.8692 8.79428 4.54188 numMergedOcc 0
59 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 11.3361 5.79505 9.81562 8.03456 13.747 4.89609 9.3206 10.1317 4.27181 numMergedOcc 0
60 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 14.0991 11.3368 6.27581 9.99038 13.747 4.89609 9.3206 10.1317 10.5774 numMergedOcc 0
61 mol 236 unq 2 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 12.3675 9.90963 9.81562 8.03456 11.2893 10.5774 9.3206 10.1317 4.27181 numMergedOcc 0
62 mol 236 unq 3 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 11.0771 11.3368 7.68742 6.84306 11.2893 10.5774 9.3206 10.1317 4.89609 numMergedOcc 0
63 mol 236 unq 4 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 14.8917 9.90963 9.81562 8.03456 14.0625 10.5774 9.3206 10.1317 4.27181 numMergedOcc 0
64 mol 236 unq 5 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 15.2525 11.3368 7.68742 6.84306 14.0625 10.5774 9.3206 10.1317 4.89609 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 9.73107 4.69778 7.88519 10.5767 16.793 12.2293 9.46361 18.7675 11.6988 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 12.3391 10.582 8.53687 10.5767 13.9131 8.8603 9.07743 7.66153 6.73882 numMergedOcc 0
67 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 14.2921 7.20604 9.63573 12.8229 5.05362 numMergedOcc 0
68 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 13.9131 8.8603 7.66153 9.07743 5.8801 numMergedOcc 0
69 mol 259 unq 4 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 14.2921 7.20604 9.63573 12.8229 5.21606 numMergedOcc 0
70 mol 259 unq 5 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 13.9131 8.8603 7.66153 9.07743 11.8896 numMergedOcc 0
71 mol 259 unq 6 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 14.2921 7.20604 9.63573 12.8229 7.46841 numMergedOcc 0
72 mol 259 unq 7 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 13.9131 8.8603 7.66153 9.07743 5.81576 numMergedOcc 0
