0 mol 16 unq 0 iso 0 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 6.43294 10.9143 5.32694 5.46498 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 11.6041 16.4009 10.4155 8.71745 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 5.35079 10.9143 10.8455 6.31718 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 5.95814 10.0828 4.73512 9.25011 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 13.6099 11.5843 10.6819 6.43294 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 12.0142 12.4757 8.93946 8.52121 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 5.44275 10.2049 5.4148 6.19304 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 11.2674 20.257 14.9342 8.70481 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 8.0624 10.2049 5.4148 6.19304 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 14.5102 20.257 14.9342 8.70481 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 5.44275 11.6369 5.4148 6.19304 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 11.2674 10.1207 14.9342 8.70481 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.7225 5.39296 5.11551 10.2695 6.5838 7.11972 11.2571 11.4095 10.498 6.90986 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 11.0972 6.69554 9.52634 7.00572 9.66421 9.56949 6.5107 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.48243 11.6637 9.91388 14.1743 6.761 7.24514 13.1763 10.0372 6.65743 8.22656 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.84018 8.00493 6.5107 15.1254 9.56949 9.52634 7.62245 9.66421 6.69554 9.91388 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 8.84018 8.00493 6.5107 15.1254 9.56949 9.52634 13.3529 12.0352 7.6656 7.24514 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 14.0506 10.0372 6.761 9.91388 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 19.97 13.4163 7.6656 9.52634 numMergedOcc 0
19 mol 133 unq 6 iso 0 dist 6.11955 7.96098 6.80239 11.5405 7.79672 8.00618 14.5344 12.6651 8.18495 7.11802 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.78849 11.454 9.89303 11.4625 5.79898 6.54501 13.8503 9.93925 5.00526 6.49416 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 10.5524 5.32922 5.31024 12.288 7.73169 5.50998 7.26382 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 10.5524 5.32922 7.26382 13.1936 9.2313 5.50998 5.31024 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 13.8698 10.399 5.42328 5.87555 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 18.5464 14.1618 6.4896 8.67331 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 13.8698 10.399 5.42328 8.87437 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 18.5464 14.1618 6.4896 8.05741 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 9.10619 13.9994 6.70283 13.6844 5.42328 5.87555 14.2552 7.16148 5.49936 8.87437 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 9.10619 13.9994 6.70283 15.1988 6.4896 8.67331 14.2552 7.16148 5.49936 8.05741 numMergedOcc 0
29 mol 152 unq 6 iso 0 dist 9.10619 14.2552 7.16148 13.6844 5.42328 8.87437 13.9994 6.70283 5.49936 5.87555 numMergedOcc 0
30 mol 152 unq 7 iso 0 dist 9.10619 14.2552 7.16148 15.1988 6.4896 8.05741 13.9994 6.70283 5.49936 8.67331 numMergedOcc 0
31 mol 152 unq 8 iso 0 dist 9.74498 10.7816 8.67331 12.7397 5.54906 5.87555 7.26476 8.05741 5.49936 8.87437 numMergedOcc 0
32 mol 152 unq 9 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 17.605 14.1618 7.65448 8.56324 numMergedOcc 0
33 mol 152 unq 10 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 7.26476 8.05741 5.49936 7.16148 numMergedOcc 0
34 mol 152 unq 11 iso 0 dist 9.74498 7.26476 8.05741 12.7397 5.54906 8.87437 10.7816 8.67331 5.49936 5.87555 numMergedOcc 0
35 mol 152 unq 12 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 17.605 14.1618 10.6875 8.56324 numMergedOcc 0
36 mol 152 unq 13 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 10.7816 8.67331 5.49936 6.70283 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 6.71202 5.70205 7.66148 10.0734 10.1658 8.94056 9.07974 12.0598 5.56175 7.44554 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 6.71202 5.70205 7.66148 10.0734 10.1658 8.94056 9.95824 15.1382 11.2719 9.83699 numMergedOcc 0
39 mol 156 unq 2 iso 0 dist 9.16591 9.27577 9.83699 16.4964 11.2719 8.94056 17.4247 15.1382 10.1658 7.66148 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 14.9263 7.42466 7.652 5.50014 5.6234 6.2715 9.92231 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 8.69888 5.50014 5.6234 14.9263 7.42466 9.92231 11.5099 9.0018 6.2715 7.652 numMergedOcc 0
42 mol 175 unq 2 iso 0 dist 5.08206 12.1783 9.0018 11.7895 7.42466 7.652 7.28617 5.6234 6.2715 9.92231 numMergedOcc 0
43 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 11.7895 7.42466 9.92231 12.1783 9.0018 6.2715 7.652 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 15.8715 10.7062 8.88798 5.98885 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 18.9731 14.9794 12.1628 9.15386 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 11.6133 10.7062 8.88798 5.98885 numMergedOcc 0
47 mol 181 unq 3 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 14.2744 14.9794 12.1628 9.15386 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 9.2491 4.70378 6.57273 13.2364 9.99123 5.0744 6.60589 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 13.2364 9.99123 5.0744 9.16166 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 19.0463 14.0676 5.60236 5.81334 numMergedOcc 0
51 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 10.6031 4.70378 6.57273 16.0618 9.99123 5.0744 6.60589 numMergedOcc 0
52 mol 224 unq 4 iso 0 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 16.0618 9.99123 5.0744 9.16166 numMergedOcc 0
53 mol 224 unq 5 iso 0 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 20.2301 14.0676 5.60236 5.81334 numMergedOcc 0
54 mol 224 unq 6 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 9.40389 9.99123 5.0744 6.60589 numMergedOcc 0
55 mol 224 unq 7 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 9.40389 9.99123 5.0744 9.16166 numMergedOcc 0
56 mol 224 unq 8 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 14.2137 14.0676 5.60236 5.81334 numMergedOcc 0
57 mol 224 unq 9 iso 0 dist 9.34636 5.63485 8.95269 9.79616 4.70378 6.57273 9.36962 9.99123 5.0744 6.60589 numMergedOcc 0
58 mol 224 unq 10 iso 0 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 9.36962 9.99123 5.0744 9.16166 numMergedOcc 0
59 mol 224 unq 11 iso 0 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 10.3532 14.0676 5.60236 5.81334 numMergedOcc 0
60 mol 224 unq 12 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 7.65225 10.103 6.77699 6.65832 numMergedOcc 0
61 mol 224 unq 13 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 12.979 5.78342 8.49799 9.16166 numMergedOcc 0
62 mol 224 unq 14 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 7.65225 10.103 11.328 6.65832 numMergedOcc 0
63 mol 224 unq 15 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 4.91322 6.57273 8.49799 6.60589 numMergedOcc 0
64 mol 224 unq 16 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 5.41021 9.99123 4.70378 8.95269 numMergedOcc 0
65 mol 224 unq 17 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 12.979 9.16166 8.49799 5.78342 numMergedOcc 0
66 mol 224 unq 18 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 5.41021 9.99123 11.5372 8.95269 numMergedOcc 0
67 mol 224 unq 19 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 4.91322 6.60589 8.49799 6.57273 numMergedOcc 0
68 mol 224 unq 20 iso 0 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 9.36962 6.60589 5.0744 9.16166 numMergedOcc 0
69 mol 224 unq 21 iso 0 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 10.3532 10.5128 5.60236 5.81334 numMergedOcc 0
70 mol 224 unq 22 iso 0 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 5.63485 6.57273 5.0744 5.78342 numMergedOcc 0
71 mol 224 unq 23 iso 0 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 10.3532 10.5128 6.91102 5.81334 numMergedOcc 0
72 mol 224 unq 24 iso 0 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 7.18448 9.16166 5.0744 6.60589 numMergedOcc 0
73 mol 224 unq 25 iso 0 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 4.8786 5.78342 5.0744 6.57273 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.6359 10.4905 6.99063 9.34734 numMergedOcc 0
75 mol 227 unq 1 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.5771 10.8157 5.22356 8.65997 numMergedOcc 0
76 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.6422 11.0431 10.8658 7.56888 numMergedOcc 0
77 mol 227 unq 3 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.9249 10.0334 12.4689 7.55216 numMergedOcc 0
78 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.7645 5.57838 7.03423 15.5898 13.2905 6.84129 9.06952 numMergedOcc 0
79 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 8.47009 7.82322 9.36357 6.16697 9.45496 5.88703 6.7625 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 8.47009 7.82322 6.7625 4.74041 6.56247 5.88703 9.36357 numMergedOcc 0
81 mol 234 unq 2 iso 0 dist 8.47009 4.74041 9.36357 5.89084 7.82322 6.56247 6.16697 6.7625 5.88703 9.45496 numMergedOcc 0
82 mol 234 unq 3 iso 0 dist 8.47009 6.16697 6.7625 5.89084 7.82322 9.45496 4.74041 9.36357 5.88703 6.56247 numMergedOcc 0
83 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 16.0921 14.2337 8.03456 16.5623 11.2141 7.28249 9.81562 numMergedOcc 0
84 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 16.2964 14.7998 6.84306 16.5623 11.2141 7.28249 7.68742 numMergedOcc 0
85 mol 236 unq 2 iso 0 dist 8.77254 10.054 8.35971 17.6586 10.7497 9.99038 16.5623 11.2141 7.28249 6.27581 numMergedOcc 0
86 mol 236 unq 3 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.8998 15.1853 14.2337 8.03456 numMergedOcc 0
87 mol 236 unq 4 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.4534 13.5269 14.7998 6.84306 numMergedOcc 0
88 mol 236 unq 5 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 15.6894 15.7308 10.7497 9.99038 numMergedOcc 0
89 mol 236 unq 6 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 17.9247 14.9122 12.0369 9.78037 numMergedOcc 0
90 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 9.89226 6.0987 8.1148 12.5855 9.2288 8.41807 8.1715 numMergedOcc 0
91 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 9.89226 6.0987 8.1715 16.5881 8.33025 8.41807 8.1148 numMergedOcc 0
92 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 9.10984 9.95973 4.86771 7.84554 numMergedOcc 0
93 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 11.8501 10.3935 6.96053 7.46176 numMergedOcc 0
94 mol 259 unq 2 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 13.9868 12.6839 10.4881 9.18903 numMergedOcc 0
95 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 6.77279 4.69778 8.13497 7.55268 10.5767 10.582 8.53687 numMergedOcc 0
96 mol 259 unq 4 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 17.4589 10.3935 4.69778 8.13497 numMergedOcc 0
97 mol 261 unq 0 iso 0 dist 9.62828 10.5691 8.02547 17.6306 10.0727 8.43057 19.5329 14.2688 10.1239 7.73141 numMergedOcc 0
98 mol 272 unq 0 iso 0 dist 6.94346 9.58279 8.33638 11.7245 5.40809 8.46116 16.0678 13.2494 8.12676 9.97651 numMergedOcc 0
