0 mol 16 unq 0 iso 0 dist 6.36377 5.48395 6.31718 12.9591 10.8455 7.63133 9.05346 6.2983 5.47769 5.94084 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 7.63928 4.51512 6.03987 13.4756 8.43188 7.685 10.3635 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 9.87281 4.51512 7.31767 13.4756 10.3635 7.685 8.43188 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 14.4598 8.81358 7.58835 9.61766 4.71384 6.34173 5.67689 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 9.01612 5.30792 6.86465 11.074 10.2241 9.58673 5.92889 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 4.88613 4.81926 6.35756 11.074 10.2241 9.58673 7.05413 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 9.01612 5.35073 6.86465 11.074 7.05413 9.58673 5.92889 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 4.88613 5.40367 6.35756 6.36193 4.81926 6.62496 11.074 7.05413 9.58673 10.2241 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 12.5028 10.0246 7.71095 11.5407 7.29033 6.71911 5.33688 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 19.1673 12.5396 8.84665 10.6421 5.3525 8.24062 11.0387 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 6.65344 13.1729 7.71095 14.3301 8.19458 8.25513 10.6421 5.3525 8.24062 9.15805 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 7.52103 6.86346 6.72123 12.9951 5.83489 8.76003 7.39396 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 9.22002 6.86346 6.65721 12.9951 7.39396 8.76003 5.83489 numMergedOcc 0
13 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 11.0419 6.86346 6.65721 11.0903 7.39396 8.76003 5.83489 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 10.7244 5.42586 7.97049 14.6315 11.6116 9.47876 7.98917 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 10.7244 5.42586 7.47541 14.6315 11.6116 7.22293 7.98917 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 11.7434 10.1164 5.73196 14.6315 11.6116 7.22293 6.47779 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 11.4004 5.57085 8.31336 16.3169 6.95868 9.2603 6.97239 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 7.86537 5.57085 8.31336 5.82918 6.95868 9.2603 6.97239 numMergedOcc 0
19 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 7.74197 5.57085 9.36773 5.82918 6.97239 9.2603 6.95868 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 15.8125 11.3902 8.66155 6.09023 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 15.8125 11.3902 8.66155 4.61908 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 12.5189 7.69052 9.33865 13.1716 10.9739 7.76729 10.7942 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 12.5189 7.69052 6.11741 14.0848 11.7126 6.99777 10.8292 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 5.02717 11.0268 7.88312 12.5189 7.69052 6.11741 9.26862 4.62962 9.14376 6.12943 numMergedOcc 0
25 mol 115 unq 5 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 9.44544 4.61908 9.66954 6.09023 numMergedOcc 0
26 mol 115 unq 6 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 12.7883 10.8939 7.64585 10.2377 numMergedOcc 0
27 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 9.44544 4.61908 8.66155 11.3902 numMergedOcc 0
28 mol 115 unq 8 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 9.44544 4.61908 8.66155 6.09023 numMergedOcc 0
29 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 12.2966 4.61908 9.66954 6.09023 numMergedOcc 0
30 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 10.1292 10.8939 7.64585 10.2377 numMergedOcc 0
31 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 12.2966 4.61908 8.66155 11.3902 numMergedOcc 0
32 mol 115 unq 12 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 12.2966 4.61908 8.66155 6.09023 numMergedOcc 0
33 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 18.7881 13.1058 9.84395 9.58171 4.91401 6.62561 11.3679 numMergedOcc 0
34 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 20.7361 13.1058 9.84395 13.2996 4.91401 6.62561 11.3679 numMergedOcc 0
35 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.0998 7.30196 8.14887 16.2351 14.085 8.59981 14.9761 numMergedOcc 0
36 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 10.0998 7.30196 8.14887 13.306 13.1312 7.34519 7.41404 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 5.82404 8.18495 8.00618 11.5756 4.68409 7.92688 12.2037 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 9.50322 8.18495 7.11802 11.5756 12.2037 7.92688 4.68409 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 10.6879 5.71071 7.46303 9.16944 4.9093 9.17284 6.3437 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 10.8522 13.3522 8.01589 7.35476 12.2813 6.82208 4.8892 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 10.0664 5.24516 7.7699 7.35476 12.2813 6.82208 11.0074 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 8.46129 5.0744 6.60589 11.3096 5.29877 6.65984 6.12232 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 8.46129 5.72088 6.60589 8.39002 5.0744 6.57273 11.3096 6.12232 6.65984 5.29877 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 11.3366 4.39704 7.22101 16.431 9.13836 8.17891 6.43754 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.3361 5.79505 8.03456 10.3034 11.3552 7.17676 11.8759 numMergedOcc 0
46 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.3361 5.79505 8.03456 8.71945 11.6837 6.68463 9.07822 numMergedOcc 0
47 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 10.3034 11.3552 7.17676 6.04825 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 8.71945 11.6837 6.68463 8.8265 numMergedOcc 0
49 mol 236 unq 4 iso 0 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 10.3034 11.3552 7.17676 12.6468 numMergedOcc 0
50 mol 236 unq 5 iso 0 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 8.71945 11.6837 6.68463 5.80136 numMergedOcc 0
51 mol 236 unq 6 iso 0 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 10.3034 11.3552 7.17676 6.40312 numMergedOcc 0
52 mol 236 unq 7 iso 0 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 8.71945 11.6837 6.68463 6.2568 numMergedOcc 0
53 mol 236 unq 8 iso 0 dist 9.89665 11.247 7.68742 11.3361 5.79505 9.81562 10.3034 11.3552 5.34718 11.8759 numMergedOcc 0
54 mol 236 unq 9 iso 0 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 10.3034 11.3552 5.34718 6.04825 numMergedOcc 0
55 mol 236 unq 10 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 10.3034 6.40312 7.17676 11.8759 numMergedOcc 0
56 mol 236 unq 11 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 8.71945 6.2568 6.68463 9.07822 numMergedOcc 0
57 mol 236 unq 12 iso 0 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 10.3034 6.40312 7.17676 11.3552 numMergedOcc 0
58 mol 236 unq 13 iso 0 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 8.71945 6.2568 6.68463 11.6837 numMergedOcc 0
59 mol 236 unq 14 iso 0 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 10.3034 6.40312 7.17676 6.04825 numMergedOcc 0
60 mol 236 unq 15 iso 0 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 8.71945 6.2568 6.68463 8.8265 numMergedOcc 0
61 mol 236 unq 16 iso 0 dist 9.05929 4.38595 8.35971 11.8422 12.0369 9.78037 10.3034 6.40312 7.17676 12.6468 numMergedOcc 0
62 mol 236 unq 17 iso 0 dist 9.05929 4.38595 8.35971 11.8422 12.0369 9.78037 8.71945 6.2568 6.68463 5.80136 numMergedOcc 0
63 mol 236 unq 18 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 6.98151 6.04825 7.17676 11.8759 numMergedOcc 0
64 mol 236 unq 19 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 12.9923 8.8265 6.68463 9.07822 numMergedOcc 0
65 mol 236 unq 20 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 6.98151 6.04825 7.17676 11.3552 numMergedOcc 0
66 mol 236 unq 21 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 12.9923 8.8265 6.68463 11.6837 numMergedOcc 0
67 mol 236 unq 22 iso 0 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 6.98151 6.04825 7.17676 12.6468 numMergedOcc 0
68 mol 236 unq 23 iso 0 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 12.9923 8.8265 6.68463 5.80136 numMergedOcc 0
69 mol 236 unq 24 iso 0 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 6.98151 6.04825 7.17676 6.40312 numMergedOcc 0
70 mol 236 unq 25 iso 0 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 12.9923 8.8265 6.68463 6.2568 numMergedOcc 0
71 mol 236 unq 26 iso 0 dist 5.66569 4.15973 6.27581 12.3675 9.90963 9.81562 6.98151 6.04825 5.34718 11.8759 numMergedOcc 0
72 mol 236 unq 27 iso 0 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 6.98151 6.04825 5.34718 11.3552 numMergedOcc 0
73 mol 236 unq 28 iso 0 dist 6.11137 15.1664 9.99038 14.8917 9.90963 8.03456 9.91572 6.04825 7.17676 11.8759 numMergedOcc 0
74 mol 236 unq 29 iso 0 dist 6.11137 15.1664 9.99038 14.8917 9.90963 8.03456 14.8319 8.8265 6.68463 9.07822 numMergedOcc 0
75 mol 236 unq 30 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 9.91572 6.04825 7.17676 11.3552 numMergedOcc 0
76 mol 236 unq 31 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 14.8319 8.8265 6.68463 11.6837 numMergedOcc 0
77 mol 236 unq 32 iso 0 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 9.91572 6.04825 7.17676 12.6468 numMergedOcc 0
78 mol 236 unq 33 iso 0 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 14.8319 8.8265 6.68463 5.80136 numMergedOcc 0
79 mol 236 unq 34 iso 0 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 9.91572 6.04825 7.17676 6.40312 numMergedOcc 0
80 mol 236 unq 35 iso 0 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 14.8319 8.8265 6.68463 6.2568 numMergedOcc 0
81 mol 236 unq 36 iso 0 dist 6.11137 9.01197 6.27581 14.8917 9.90963 9.81562 9.91572 6.04825 5.34718 11.8759 numMergedOcc 0
82 mol 236 unq 37 iso 0 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 9.91572 6.04825 5.34718 11.3552 numMergedOcc 0
83 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 13.1236 11.6195 7.48005 11.8736 numMergedOcc 0
84 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 13.1236 11.6195 7.48005 5.79468 numMergedOcc 0
85 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 13.1236 11.6195 7.48005 12.6649 numMergedOcc 0
86 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 10.5864 5.79468 7.48005 11.6195 numMergedOcc 0
87 mol 259 unq 4 iso 0 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 10.5864 5.79468 7.48005 11.8736 numMergedOcc 0
88 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 10.5864 5.79468 7.48005 12.6649 numMergedOcc 0
89 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 9.73983 7.00201 8.45658 10.4678 7.49174 7.47164 5.22253 numMergedOcc 0
90 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 8.65236 7.00201 9.14619 10.4678 5.22253 7.47164 7.49174 numMergedOcc 0
91 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 13.1873 10.3202 9.361 11.0809 5.12409 9.0012 9.74238 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 13.1873 10.3202 9.361 11.1852 9.67998 9.5784 9.85579 numMergedOcc 0
