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 11.6041 16.4009 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 11.6041 16.4009 10.4155 8.71745 6.43294 10.9143 5.32694 5.46498 5.74188 numMergedOcc 0
2 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 13.6099 11.5843 10.6819 6.43294 11.3621 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 13.6099 11.5843 10.6819 6.43294 5.95814 10.0828 4.73512 9.25011 11.3621 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 5.95814 10.0828 4.73512 9.25011 12.0142 12.4757 8.93946 8.52121 7.66664 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 12.0142 12.4757 8.93946 8.52121 5.95814 10.0828 4.73512 9.25011 7.66664 numMergedOcc 0
6 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 12.0142 12.4757 8.93946 8.52121 5.51199 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 12.0142 12.4757 8.93946 8.52121 13.6099 11.5843 10.6819 6.43294 5.51199 numMergedOcc 0
8 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 11.2674 20.257 14.9342 8.70481 13.3558 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 11.2674 20.257 14.9342 8.70481 5.44275 10.2049 5.4148 6.19304 13.3558 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 8.0624 10.2049 5.4148 6.19304 14.5102 20.257 14.9342 8.70481 13.3558 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 14.5102 20.257 14.9342 8.70481 8.0624 10.2049 5.4148 6.19304 13.3558 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 5.44275 11.6369 5.4148 6.19304 11.2674 10.1207 14.9342 8.70481 13.3558 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 11.2674 10.1207 14.9342 8.70481 5.44275 11.6369 5.4148 6.19304 13.3558 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.84018 8.00493 6.5107 15.1254 9.56949 9.52634 7.62245 9.66421 6.69554 9.91388 13.3529 12.0352 7.6656 7.24514 6.761 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 8.84018 8.00493 6.5107 15.1254 9.56949 9.52634 13.3529 12.0352 7.6656 7.24514 7.62245 9.66421 6.69554 9.91388 6.761 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 14.0506 10.0372 6.761 9.91388 19.97 13.4163 7.6656 9.52634 6.69554 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 19.97 13.4163 7.6656 9.52634 14.0506 10.0372 6.761 9.91388 6.69554 numMergedOcc 0
18 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 18.5464 14.1618 6.4896 8.67331 5.54906 numMergedOcc 0
19 mol 152 unq 0 iso 1 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 18.5464 14.1618 6.4896 8.67331 13.8698 10.399 5.42328 5.87555 5.54906 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 13.8698 10.399 5.42328 8.87437 18.5464 14.1618 6.4896 8.05741 5.54906 numMergedOcc 0
21 mol 152 unq 1 iso 1 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 18.5464 14.1618 6.4896 8.05741 13.8698 10.399 5.42328 8.87437 5.54906 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 17.605 14.1618 7.65448 8.56324 7.26476 8.05741 5.49936 7.16148 10.6875 numMergedOcc 0
23 mol 152 unq 2 iso 1 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 7.26476 8.05741 5.49936 7.16148 17.605 14.1618 7.65448 8.56324 10.6875 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 17.605 14.1618 10.6875 8.56324 10.7816 8.67331 5.49936 6.70283 7.65448 numMergedOcc 0
25 mol 152 unq 3 iso 1 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 10.7816 8.67331 5.49936 6.70283 17.605 14.1618 10.6875 8.56324 7.65448 numMergedOcc 0
26 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 9.95824 15.1382 11.2719 9.83699 8.38403 numMergedOcc 0
27 mol 156 unq 0 iso 1 dist 6.71202 5.70205 7.66148 10.0734 10.1658 8.94056 9.95824 15.1382 11.2719 9.83699 9.07974 12.0598 5.56175 7.44554 8.38403 numMergedOcc 0
28 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 18.9731 14.9794 12.1628 9.15386 5.16002 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 18.9731 14.9794 12.1628 9.15386 15.8715 10.7062 8.88798 5.98885 5.16002 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 11.6133 10.7062 8.88798 5.98885 14.2744 14.9794 12.1628 9.15386 5.16002 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 14.2744 14.9794 12.1628 9.15386 11.6133 10.7062 8.88798 5.98885 5.16002 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 13.2364 9.99123 5.0744 9.16166 19.0463 14.0676 5.60236 5.81334 6.91102 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 19.0463 14.0676 5.60236 5.81334 13.2364 9.99123 5.0744 9.16166 6.91102 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 16.0618 9.99123 5.0744 9.16166 20.2301 14.0676 5.60236 5.81334 6.91102 numMergedOcc 0
35 mol 224 unq 1 iso 1 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 20.2301 14.0676 5.60236 5.81334 16.0618 9.99123 5.0744 9.16166 6.91102 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 9.40389 9.99123 5.0744 9.16166 14.2137 14.0676 5.60236 5.81334 6.91102 numMergedOcc 0
37 mol 224 unq 2 iso 1 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 14.2137 14.0676 5.60236 5.81334 9.40389 9.99123 5.0744 9.16166 6.91102 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 9.36962 9.99123 5.0744 9.16166 10.3532 14.0676 5.60236 5.81334 6.91102 numMergedOcc 0
39 mol 224 unq 3 iso 1 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 10.3532 14.0676 5.60236 5.81334 9.36962 9.99123 5.0744 9.16166 6.91102 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 7.65225 10.103 6.77699 6.65832 12.979 5.78342 8.49799 9.16166 11.328 numMergedOcc 0
41 mol 224 unq 4 iso 1 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 12.979 5.78342 8.49799 9.16166 7.65225 10.103 6.77699 6.65832 11.328 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 7.65225 10.103 11.328 6.65832 4.91322 6.57273 8.49799 6.60589 6.77699 numMergedOcc 0
43 mol 224 unq 5 iso 1 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 4.91322 6.57273 8.49799 6.60589 7.65225 10.103 11.328 6.65832 6.77699 numMergedOcc 0
44 mol 224 unq 6 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 5.41021 9.99123 4.70378 8.95269 12.979 9.16166 8.49799 5.78342 11.5372 numMergedOcc 0
45 mol 224 unq 6 iso 1 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 12.979 9.16166 8.49799 5.78342 5.41021 9.99123 4.70378 8.95269 11.5372 numMergedOcc 0
46 mol 224 unq 7 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 5.41021 9.99123 11.5372 8.95269 4.91322 6.60589 8.49799 6.57273 4.70378 numMergedOcc 0
47 mol 224 unq 7 iso 1 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 4.91322 6.60589 8.49799 6.57273 5.41021 9.99123 11.5372 8.95269 4.70378 numMergedOcc 0
48 mol 224 unq 8 iso 0 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 9.36962 6.60589 5.0744 9.16166 10.3532 10.5128 5.60236 5.81334 6.91102 numMergedOcc 0
49 mol 224 unq 8 iso 1 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 10.3532 10.5128 5.60236 5.81334 9.36962 6.60589 5.0744 9.16166 6.91102 numMergedOcc 0
50 mol 224 unq 9 iso 0 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 5.63485 6.57273 5.0744 5.78342 10.3532 10.5128 6.91102 5.81334 5.60236 numMergedOcc 0
51 mol 224 unq 9 iso 1 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 10.3532 10.5128 6.91102 5.81334 5.63485 6.57273 5.0744 5.78342 5.60236 numMergedOcc 0
52 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 12.5771 10.8157 5.22356 8.65997 7.60506 numMergedOcc 0
53 mol 227 unq 0 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.5771 10.8157 5.22356 8.65997 12.6359 10.4905 6.99063 9.34734 7.60506 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.6359 10.4905 6.99063 9.34734 17.6422 11.0431 10.8658 7.56888 7.43198 numMergedOcc 0
55 mol 227 unq 1 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.6422 11.0431 10.8658 7.56888 12.6359 10.4905 6.99063 9.34734 7.43198 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.6359 10.4905 6.99063 9.34734 17.9249 10.0334 12.4689 7.55216 9.51866 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.9249 10.0334 12.4689 7.55216 12.6359 10.4905 6.99063 9.34734 9.51866 numMergedOcc 0
58 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 17.6422 11.0431 10.8658 7.56888 9.70012 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.6422 11.0431 10.8658 7.56888 12.5771 10.8157 5.22356 8.65997 9.70012 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 12.5771 10.8157 5.22356 8.65997 17.9249 10.0334 12.4689 7.55216 12.9332 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.9249 10.0334 12.4689 7.55216 12.5771 10.8157 5.22356 8.65997 12.9332 numMergedOcc 0
62 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 17.9249 10.0334 12.4689 7.55216 4.48529 numMergedOcc 0
63 mol 227 unq 2 iso 1 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 17.9249 10.0334 12.4689 7.55216 17.6422 11.0431 10.8658 7.56888 4.48529 numMergedOcc 0
64 mol 236 unq 0 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.8998 15.1853 14.2337 8.03456 19.4534 13.5269 14.7998 6.84306 5.79505 numMergedOcc 0
65 mol 236 unq 0 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.4534 13.5269 14.7998 6.84306 19.8998 15.1853 14.2337 8.03456 5.79505 numMergedOcc 0
66 mol 236 unq 1 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.8998 15.1853 14.2337 8.03456 15.6894 15.7308 10.7497 9.99038 9.90963 numMergedOcc 0
67 mol 236 unq 1 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 15.6894 15.7308 10.7497 9.99038 19.8998 15.1853 14.2337 8.03456 9.90963 numMergedOcc 0
68 mol 236 unq 2 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.8998 15.1853 14.2337 8.03456 17.9247 14.9122 12.0369 9.78037 6.96005 numMergedOcc 0
69 mol 236 unq 2 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 17.9247 14.9122 12.0369 9.78037 19.8998 15.1853 14.2337 8.03456 6.96005 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.4534 13.5269 14.7998 6.84306 15.6894 15.7308 10.7497 9.99038 11.3368 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 15.6894 15.7308 10.7497 9.99038 19.4534 13.5269 14.7998 6.84306 11.3368 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.4534 13.5269 14.7998 6.84306 17.9247 14.9122 12.0369 9.78037 11.8739 numMergedOcc 0
73 mol 236 unq 2 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 17.9247 14.9122 12.0369 9.78037 19.4534 13.5269 14.7998 6.84306 11.8739 numMergedOcc 0
74 mol 236 unq 2 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 15.6894 15.7308 10.7497 9.99038 17.9247 14.9122 12.0369 9.78037 11.1557 numMergedOcc 0
75 mol 236 unq 2 iso 1 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 17.9247 14.9122 12.0369 9.78037 15.6894 15.7308 10.7497 9.99038 11.1557 numMergedOcc 0
76 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 11.8501 10.3935 6.96053 7.46176 7.64658 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 11.8501 10.3935 6.96053 7.46176 9.10984 9.95973 4.86771 7.84554 7.64658 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 9.10984 9.95973 4.86771 7.84554 13.9868 12.6839 10.4881 9.18903 5.87173 numMergedOcc 0
79 mol 259 unq 1 iso 1 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 13.9868 12.6839 10.4881 9.18903 9.10984 9.95973 4.86771 7.84554 5.87173 numMergedOcc 0
80 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 13.9868 12.6839 10.4881 9.18903 10.5239 numMergedOcc 0
81 mol 259 unq 1 iso 1 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 13.9868 12.6839 10.4881 9.18903 11.8501 10.3935 6.96053 7.46176 10.5239 numMergedOcc 0
