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 9.05346 6.2983 5.47769 7.03948 5.94084 numMergedOcc 0
1 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 9.61766 4.71384 6.34173 7.06308 5.67689 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 19.1673 12.5396 8.84665 17.79 10.6421 5.3525 8.24062 10.6318 11.0387 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 14.3301 8.19458 8.25513 14.0127 10.6421 5.3525 8.24062 10.6318 9.15805 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 10.7244 5.42586 7.97049 11.3023 14.6315 11.6116 9.47876 13.6587 7.98917 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 10.7244 5.42586 7.97049 7.47541 14.6315 11.6116 9.47876 7.22293 7.98917 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 10.7244 5.42586 7.47541 11.3023 14.6315 11.6116 7.22293 13.6587 7.98917 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 11.7434 10.1164 5.73196 15.309 14.6315 11.6116 7.22293 13.6587 6.47779 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 10.7244 5.42586 7.47541 7.97049 14.6315 11.6116 7.22293 9.47876 7.98917 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 11.7434 10.1164 5.73196 11.2656 14.6315 11.6116 7.22293 9.47876 6.47779 numMergedOcc 0
10 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 13.1716 10.9739 7.76729 17.6696 10.7942 numMergedOcc 0
11 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 13.1716 10.9739 7.76729 12.9821 10.7942 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 12.5189 7.69052 6.11741 13.8473 14.0848 11.7126 6.99777 11.695 10.8292 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 12.5189 7.69052 6.11741 13.8473 9.26862 4.62962 9.14376 10.0603 6.12943 numMergedOcc 0
14 mol 115 unq 4 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 12.5189 7.69052 6.11741 9.33865 14.0848 11.7126 6.99777 13.9977 10.8292 numMergedOcc 0
15 mol 115 unq 5 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 12.5189 7.69052 6.11741 9.33865 9.26862 4.62962 9.14376 9.65429 6.12943 numMergedOcc 0
16 mol 115 unq 6 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 12.6493 8.02349 9.33865 5.83991 9.44544 4.61908 9.66954 8.66155 6.09023 numMergedOcc 0
17 mol 115 unq 7 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 12.6493 8.02349 9.33865 5.83991 12.7883 10.8939 7.64585 12.2309 10.2377 numMergedOcc 0
18 mol 115 unq 8 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 14.1021 11.5723 7.30858 13.8473 9.44544 4.61908 8.66155 9.66954 11.3902 numMergedOcc 0
19 mol 115 unq 9 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 12.6493 8.02349 5.83991 9.33865 9.44544 4.61908 8.66155 9.66954 6.09023 numMergedOcc 0
20 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 13.7044 8.02349 9.33865 5.83991 12.2966 4.61908 9.66954 8.66155 6.09023 numMergedOcc 0
21 mol 115 unq 11 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 13.7044 8.02349 9.33865 5.83991 10.1292 10.8939 7.64585 12.2309 10.2377 numMergedOcc 0
22 mol 115 unq 12 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.0624 11.5723 7.30858 13.8473 12.2966 4.61908 8.66155 9.66954 11.3902 numMergedOcc 0
23 mol 115 unq 13 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 13.7044 8.02349 5.83991 9.33865 12.2966 4.61908 8.66155 9.66954 6.09023 numMergedOcc 0
24 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 9.58171 4.91401 6.62561 7.63616 11.3679 numMergedOcc 0
25 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 9.58171 4.91401 6.62561 10.6107 11.3679 numMergedOcc 0
26 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 13.2996 4.91401 6.62561 7.63616 11.3679 numMergedOcc 0
27 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 13.2996 4.91401 6.62561 10.6107 11.3679 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 9.50322 8.18495 7.11802 13.268 11.5756 12.2037 7.92688 17.2931 4.68409 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 9.50322 8.18495 7.11802 12.6651 11.5756 12.2037 7.92688 15.1694 4.68409 numMergedOcc 0
30 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 11.3096 5.29877 6.65984 6.67585 6.12232 numMergedOcc 0
31 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 11.3096 5.29877 6.65984 10.667 6.12232 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 8.39002 5.0744 6.57273 10.103 11.3096 6.12232 6.65984 11.0097 5.29877 numMergedOcc 0
33 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 8.39002 5.0744 6.57273 5.78342 11.3096 6.12232 6.65984 10.667 5.29877 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.3361 5.79505 8.03456 9.81562 10.3034 11.3552 7.17676 5.34718 11.8759 numMergedOcc 0
35 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.3361 5.79505 8.03456 9.81562 8.71945 11.6837 6.68463 10.5713 9.07822 numMergedOcc 0
36 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 14.0991 11.3368 9.99038 6.27581 10.3034 11.3552 7.17676 5.34718 6.04825 numMergedOcc 0
37 mol 236 unq 3 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 14.0991 11.3368 9.99038 6.27581 8.71945 11.6837 6.68463 10.5713 8.8265 numMergedOcc 0
38 mol 236 unq 4 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.8422 11.8739 9.78037 13.499 10.3034 11.3552 7.17676 5.34718 12.6468 numMergedOcc 0
39 mol 236 unq 5 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 11.8422 11.8739 9.78037 13.499 8.71945 11.6837 6.68463 10.5713 5.80136 numMergedOcc 0
40 mol 236 unq 6 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 10.3034 11.3552 7.17676 5.34718 6.40312 numMergedOcc 0
41 mol 236 unq 7 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 9.05929 14.7998 8.35971 11.2141 8.71945 11.6837 6.68463 10.5713 6.2568 numMergedOcc 0
42 mol 236 unq 8 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 11.3361 5.79505 9.81562 8.03456 10.3034 11.3552 5.34718 7.17676 11.8759 numMergedOcc 0
43 mol 236 unq 9 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 14.0991 11.3368 6.27581 9.99038 10.3034 11.3552 5.34718 7.17676 6.04825 numMergedOcc 0
44 mol 236 unq 10 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.3361 14.2337 8.03456 15.1853 10.3034 6.40312 7.17676 10.6445 11.8759 numMergedOcc 0
45 mol 236 unq 11 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.3361 14.2337 8.03456 15.1853 8.71945 6.2568 6.68463 10.5433 9.07822 numMergedOcc 0
46 mol 236 unq 12 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 10.3034 6.40312 7.17676 10.6445 11.3552 numMergedOcc 0
47 mol 236 unq 13 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 9.89665 14.7998 6.84306 13.5269 8.71945 6.2568 6.68463 10.5433 11.6837 numMergedOcc 0
48 mol 236 unq 14 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 10.3034 6.40312 7.17676 10.6445 6.04825 numMergedOcc 0
49 mol 236 unq 15 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 14.0991 10.7497 9.99038 15.7308 8.71945 6.2568 6.68463 10.5433 8.8265 numMergedOcc 0
50 mol 236 unq 16 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 10.3034 6.40312 7.17676 10.6445 12.6468 numMergedOcc 0
51 mol 236 unq 17 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 11.8422 12.0369 9.78037 14.9122 8.71945 6.2568 6.68463 10.5433 5.80136 numMergedOcc 0
52 mol 236 unq 18 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 6.98151 6.04825 7.17676 5.34718 11.8759 numMergedOcc 0
53 mol 236 unq 19 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.3675 9.90963 8.03456 9.81562 12.9923 8.8265 6.68463 10.5713 9.07822 numMergedOcc 0
54 mol 236 unq 20 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 6.98151 6.04825 7.17676 5.34718 11.3552 numMergedOcc 0
55 mol 236 unq 21 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 11.0771 11.3368 6.84306 7.68742 12.9923 8.8265 6.68463 10.5713 11.6837 numMergedOcc 0
56 mol 236 unq 22 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 6.98151 6.04825 7.17676 5.34718 12.6468 numMergedOcc 0
57 mol 236 unq 23 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 15.7385 11.1557 9.78037 13.499 12.9923 8.8265 6.68463 10.5713 5.80136 numMergedOcc 0
58 mol 236 unq 24 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 6.98151 6.04825 7.17676 5.34718 6.40312 numMergedOcc 0
59 mol 236 unq 25 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 13.3367 10.7497 8.35971 11.2141 12.9923 8.8265 6.68463 10.5713 6.2568 numMergedOcc 0
60 mol 236 unq 26 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 12.3675 9.90963 9.81562 8.03456 6.98151 6.04825 5.34718 7.17676 11.8759 numMergedOcc 0
61 mol 236 unq 27 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 11.0771 11.3368 7.68742 6.84306 6.98151 6.04825 5.34718 7.17676 11.3552 numMergedOcc 0
62 mol 236 unq 28 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 9.91572 6.04825 7.17676 5.34718 11.8759 numMergedOcc 0
63 mol 236 unq 29 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8917 9.90963 8.03456 9.81562 14.8319 8.8265 6.68463 10.5713 9.07822 numMergedOcc 0
64 mol 236 unq 30 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 9.91572 6.04825 7.17676 5.34718 11.3552 numMergedOcc 0
65 mol 236 unq 31 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.2525 11.3368 6.84306 7.68742 14.8319 8.8265 6.68463 10.5713 11.6837 numMergedOcc 0
66 mol 236 unq 32 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 9.91572 6.04825 7.17676 5.34718 12.6468 numMergedOcc 0
67 mol 236 unq 33 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 17.0539 11.1557 9.78037 13.499 14.8319 8.8265 6.68463 10.5713 5.80136 numMergedOcc 0
68 mol 236 unq 34 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 9.91572 6.04825 7.17676 5.34718 6.40312 numMergedOcc 0
69 mol 236 unq 35 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 15.4718 10.7497 8.35971 11.2141 14.8319 8.8265 6.68463 10.5713 6.2568 numMergedOcc 0
70 mol 236 unq 36 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 14.8917 9.90963 9.81562 8.03456 9.91572 6.04825 5.34718 7.17676 11.8759 numMergedOcc 0
71 mol 236 unq 37 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 15.2525 11.3368 7.68742 6.84306 9.91572 6.04825 5.34718 7.17676 11.3552 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 12.3795 4.86771 7.84554 9.95973 13.1236 11.6195 7.48005 10.9591 11.8736 numMergedOcc 0
73 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 11.1503 6.96053 7.46176 10.3935 13.1236 11.6195 7.48005 10.9591 5.79468 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 17.0226 10.4881 9.18903 12.6839 13.1236 11.6195 7.48005 10.9591 12.6649 numMergedOcc 0
