0 mol 93 unq 0 iso 0 dist 5.89661 8.38283 9.81831 6.13065 9.12858 6.30447 11.2152 7.85041 8.58164 9.67788 numMergedOcc 0
1 mol 93 unq 0 iso 1 dist 5.89661 6.13065 9.12858 8.38283 9.81831 6.30447 11.2152 7.85041 9.67788 8.58164 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 5.89661 8.38283 9.81831 11.0971 9.4523 9.91939 11.2152 7.85041 8.58164 5.33106 numMergedOcc 0
3 mol 93 unq 1 iso 1 dist 5.89661 11.0971 9.4523 8.38283 9.81831 9.91939 11.2152 7.85041 5.33106 8.58164 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.89661 6.13065 9.12858 11.0971 9.4523 7.66728 11.2152 7.85041 9.67788 5.33106 numMergedOcc 0
5 mol 93 unq 1 iso 1 dist 5.89661 11.0971 9.4523 6.13065 9.12858 7.66728 11.2152 7.85041 5.33106 9.67788 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 9.95533 5.65454 5.49226 10.1056 6.28351 7.15222 10.6903 5.1101 5.08802 8.59354 numMergedOcc 0
7 mol 147 unq 0 iso 1 dist 9.95533 10.1056 6.28351 5.65454 5.49226 7.15222 10.6903 5.1101 8.59354 5.08802 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 9.95533 5.65454 5.49226 10.1056 6.28351 7.15222 15.5982 7.01133 10.1972 8.54341 numMergedOcc 0
9 mol 147 unq 1 iso 1 dist 9.95533 10.1056 6.28351 5.65454 5.49226 7.15222 15.5982 7.01133 8.54341 10.1972 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 7.94147 10.4411 5.49226 6.11262 6.28351 7.15222 12.5048 5.1101 5.08802 8.59354 numMergedOcc 0
11 mol 147 unq 2 iso 1 dist 7.94147 6.11262 6.28351 10.4411 5.49226 7.15222 12.5048 5.1101 8.59354 5.08802 numMergedOcc 0
12 mol 147 unq 3 iso 0 dist 7.94147 10.4411 5.49226 6.11262 6.28351 7.15222 12.2623 7.01133 10.1972 8.54341 numMergedOcc 0
13 mol 147 unq 3 iso 1 dist 7.94147 6.11262 6.28351 10.4411 5.49226 7.15222 12.2623 7.01133 8.54341 10.1972 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 7.64275 11.6982 9.31851 12.6787 6.2319 7.14831 7.81605 9.54367 10.5873 13.2847 numMergedOcc 0
15 mol 156 unq 0 iso 1 dist 7.64275 12.6787 6.2319 11.6982 9.31851 7.14831 7.81605 9.54367 13.2847 10.5873 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 7.64275 11.6982 9.31851 12.6787 6.2319 7.14831 11.6326 7.26859 4.73711 5.97294 numMergedOcc 0
17 mol 156 unq 1 iso 1 dist 7.64275 12.6787 6.2319 11.6982 9.31851 7.14831 11.6326 7.26859 5.97294 4.73711 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 7.64275 11.6982 9.31851 16.7351 9.97732 9.98789 7.81605 9.54367 10.5873 14.42 numMergedOcc 0
19 mol 156 unq 2 iso 1 dist 7.64275 16.7351 9.97732 11.6982 9.31851 9.98789 7.81605 9.54367 14.42 10.5873 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 7.64275 11.6982 9.31851 16.7351 9.97732 9.98789 11.6326 7.26859 4.73711 6.53729 numMergedOcc 0
21 mol 156 unq 3 iso 1 dist 7.64275 16.7351 9.97732 11.6982 9.31851 9.98789 11.6326 7.26859 6.53729 4.73711 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 7.64275 12.6787 6.2319 16.7351 9.97732 6.31306 7.81605 9.54367 13.2847 14.42 numMergedOcc 0
23 mol 156 unq 2 iso 1 dist 7.64275 16.7351 9.97732 12.6787 6.2319 6.31306 7.81605 9.54367 14.42 13.2847 numMergedOcc 0
24 mol 156 unq 3 iso 0 dist 7.64275 12.6787 6.2319 16.7351 9.97732 6.31306 11.6326 7.26859 5.97294 6.53729 numMergedOcc 0
25 mol 156 unq 3 iso 1 dist 7.64275 16.7351 9.97732 12.6787 6.2319 6.31306 11.6326 7.26859 6.53729 5.97294 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.27462 11.7578 7.71426 5.45834 5.10618 7.31409 5.93464 5.73148 8.08908 6.05805 numMergedOcc 0
27 mol 171 unq 0 iso 1 dist 6.27462 5.45834 5.10618 11.7578 7.71426 7.31409 5.93464 5.73148 6.05805 8.08908 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 6.27462 11.7578 7.71426 11.9898 9.86681 13.6814 5.93464 5.73148 8.08908 8.83561 numMergedOcc 0
29 mol 171 unq 1 iso 1 dist 6.27462 11.9898 9.86681 11.7578 7.71426 13.6814 5.93464 5.73148 8.83561 8.08908 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 6.27462 5.45834 5.10618 11.9898 9.86681 13.7214 5.93464 5.73148 6.05805 8.83561 numMergedOcc 0
31 mol 171 unq 1 iso 1 dist 6.27462 11.9898 9.86681 5.45834 5.10618 13.7214 5.93464 5.73148 8.83561 6.05805 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 9.23179 7.20392 10.1912 6.23042 7.345 5.4601 6.14208 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 6.86144 9.23179 7.20392 5.65167 6.51749 10.1912 6.23042 7.345 6.14208 5.4601 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.86144 5.65167 6.51749 9.23179 7.20392 10.1912 12.032 9.52987 10.0524 5.95965 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 6.86144 9.23179 7.20392 5.65167 6.51749 10.1912 12.032 9.52987 5.95965 10.0524 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.28463 4.99401 6.66971 5.07768 6.4398 5.40359 15.9901 9.42618 13.0842 15.3074 numMergedOcc 0
37 mol 238 unq 0 iso 1 dist 9.28463 5.07768 6.4398 4.99401 6.66971 5.40359 15.9901 9.42618 15.3074 13.0842 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 9.28463 4.99401 6.66971 9.99053 7.32982 10.0191 15.9901 9.42618 13.0842 8.85181 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 9.28463 9.99053 7.32982 4.99401 6.66971 10.0191 15.9901 9.42618 8.85181 13.0842 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.28463 5.07768 6.4398 9.99053 7.32982 10.1648 15.9901 9.42618 15.3074 8.85181 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 9.28463 9.99053 7.32982 5.07768 6.4398 10.1648 15.9901 9.42618 8.85181 15.3074 numMergedOcc 0
42 mol 252 unq 0 iso 0 dist 6.97105 7.59919 8.47784 10.251 8.66469 13.2361 5.3935 5.2361 4.23801 9.12442 numMergedOcc 0
43 mol 252 unq 0 iso 1 dist 6.97105 10.251 8.66469 7.59919 8.47784 13.2361 5.3935 5.2361 9.12442 4.23801 numMergedOcc 0
44 mol 252 unq 1 iso 0 dist 6.97105 7.59919 8.47784 10.251 8.66469 13.2361 11.142 5.57515 13.6996 7.35945 numMergedOcc 0
45 mol 252 unq 1 iso 1 dist 6.97105 10.251 8.66469 7.59919 8.47784 13.2361 11.142 5.57515 7.35945 13.6996 numMergedOcc 0
46 mol 252 unq 2 iso 0 dist 6.97105 7.59919 8.47784 10.251 8.66469 13.2361 10.9527 8.28694 15.4395 5.26003 numMergedOcc 0
47 mol 252 unq 2 iso 1 dist 6.97105 10.251 8.66469 7.59919 8.47784 13.2361 10.9527 8.28694 5.26003 15.4395 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 8.30744 11.2159 8.55558 5.43184 8.59697 9.98105 5.4536 6.39918 5.79468 5.31048 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 8.30744 5.43184 8.59697 11.2159 8.55558 9.98105 5.4536 6.39918 5.31048 5.79468 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 4.80092 7.33684 9.64269 6.40917 6.88809 6.6954 5.91451 7.55161 4.72202 8.5751 numMergedOcc 0
51 mol 272 unq 0 iso 1 dist 4.80092 6.40917 6.88809 7.33684 9.64269 6.6954 5.91451 7.55161 8.5751 4.72202 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 4.80092 7.33684 9.64269 10.4451 8.46061 8.12676 5.91451 7.55161 4.72202 8.52877 numMergedOcc 0
53 mol 272 unq 1 iso 1 dist 4.80092 10.4451 8.46061 7.33684 9.64269 8.12676 5.91451 7.55161 8.52877 4.72202 numMergedOcc 0
54 mol 272 unq 1 iso 0 dist 4.80092 6.40917 6.88809 10.4451 8.46061 7.34222 5.91451 7.55161 8.5751 8.52877 numMergedOcc 0
55 mol 272 unq 1 iso 1 dist 4.80092 10.4451 8.46061 6.40917 6.88809 7.34222 5.91451 7.55161 8.52877 8.5751 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 9.06496 7.0797 6.57903 7.32232 9.65707 6.59123 9.69453 7.25677 9.92201 7.29899 numMergedOcc 0
57 mol 277 unq 0 iso 1 dist 9.06496 7.32232 9.65707 7.0797 6.57903 6.59123 9.69453 7.25677 7.29899 9.92201 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 7.84195 11.4893 8.29305 12.9462 6.43341 6.67478 9.55097 8.23056 5.3373 7.18967 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 7.84195 12.9462 6.43341 11.4893 8.29305 6.67478 9.55097 8.23056 7.18967 5.3373 numMergedOcc 0
60 mol 279 unq 1 iso 0 dist 9.2174 4.98462 8.29305 7.30763 6.43341 6.67478 9.91994 8.23056 5.3373 7.18967 numMergedOcc 0
61 mol 279 unq 1 iso 1 dist 9.2174 7.30763 6.43341 4.98462 8.29305 6.67478 9.91994 8.23056 7.18967 5.3373 numMergedOcc 0
