0 mol 16 unq 0 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 5.35079 10.9143 10.8455 6.31718 5.1298 6.58035 5.94084 5.47769 6.2983 numMergedOcc 0
1 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 11.5405 7.79672 8.00618 14.5344 12.6651 8.18495 7.11802 17.2912 15.1694 12.2037 7.92688 4.68409 numMergedOcc 0
2 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 17.8858 12.0514 10.1448 8.6355 5.41704 numMergedOcc 0
3 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 5.81429 7.15475 9.49653 9.07935 7.53854 numMergedOcc 0
4 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 5.81429 7.15475 7.53854 9.07935 9.49653 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 17.605 14.1618 7.65448 8.56324 14.8436 14.1119 8.25411 9.13561 5.99333 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 7.26476 8.05741 5.49936 7.16148 14.8436 14.1119 8.25411 9.13561 7.89109 numMergedOcc 0
7 mol 152 unq 2 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 17.605 14.1618 10.6875 8.56324 14.8436 14.1119 7.89109 9.13561 5.99333 numMergedOcc 0
8 mol 152 unq 3 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 10.7816 8.67331 5.49936 6.70283 14.8436 14.1119 7.89109 9.13561 8.25411 numMergedOcc 0
9 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 7.02779 10.9818 8.67156 6.27641 7.29758 numMergedOcc 0
10 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 7.02779 10.9818 8.67156 6.27641 4.53931 numMergedOcc 0
11 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 14.6255 9.8589 8.22779 7.24908 10.5631 numMergedOcc 0
12 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 14.6255 9.8589 10.5631 7.24908 8.22779 numMergedOcc 0
13 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 11.5085 9.8589 8.22779 7.24908 10.5631 numMergedOcc 0
14 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 11.5085 9.8589 10.5631 7.24908 8.22779 numMergedOcc 0
15 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 14.6692 12.1309 6.25083 6.94688 5.86342 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 15.8715 10.7062 8.88798 5.98885 14.2587 12.2058 4.77278 6.71012 9.14057 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 18.9731 14.9794 12.1628 9.15386 14.6692 12.1309 6.25083 6.94688 6.80228 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 18.9731 14.9794 12.1628 9.15386 14.2587 12.2058 4.77278 6.71012 11.6919 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 11.6133 10.7062 8.88798 5.98885 13.2672 12.1309 6.25083 6.94688 5.86342 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 11.6133 10.7062 8.88798 5.98885 15.4116 12.2058 4.77278 6.71012 9.14057 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 14.2744 14.9794 12.1628 9.15386 13.2672 12.1309 6.25083 6.94688 6.80228 numMergedOcc 0
22 mol 181 unq 7 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 14.2744 14.9794 12.1628 9.15386 15.4116 12.2058 4.77278 6.71012 11.6919 numMergedOcc 0
23 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 10.4999 6.67585 5.29877 6.65984 6.12232 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 6.23882 15.0038 8.95269 10.6031 4.70378 6.57273 16.0618 9.99123 5.0744 6.60589 12.0368 6.67585 5.29877 6.65984 6.12232 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 9.40389 9.99123 5.0744 6.60589 4.63666 6.67585 5.29877 6.65984 6.12232 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 9.34636 5.63485 8.95269 9.79616 4.70378 6.57273 9.36962 9.99123 5.0744 6.60589 5.03449 6.67585 5.29877 6.65984 6.12232 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 5.41021 9.99123 4.70378 8.95269 11.498 10.8259 7.12232 6.87664 7.98696 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 12.979 9.16166 8.49799 5.78342 11.498 10.8259 7.12232 6.87664 5.3621 numMergedOcc 0
29 mol 224 unq 6 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 5.41021 9.99123 11.5372 8.95269 11.498 10.8259 5.3621 6.87664 7.98696 numMergedOcc 0
30 mol 224 unq 7 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 4.91322 6.60589 8.49799 6.57273 11.498 10.8259 5.3621 6.87664 7.12232 numMergedOcc 0
31 mol 224 unq 8 iso 0 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 7.18448 9.16166 5.0744 6.60589 7.05732 10.667 5.29877 6.65984 6.12232 numMergedOcc 0
32 mol 224 unq 9 iso 0 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 4.8786 5.78342 5.0744 6.57273 7.05732 10.667 6.12232 6.65984 5.29877 numMergedOcc 0
33 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 10.3827 10.6445 6.40312 7.17676 11.8759 numMergedOcc 0
34 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 12.2148 10.5433 6.2568 6.68463 9.07822 numMergedOcc 0
35 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 10.3827 10.6445 6.40312 7.17676 11.3552 numMergedOcc 0
36 mol 236 unq 3 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 19.4534 13.5269 14.7998 6.84306 12.2148 10.5433 6.2568 6.68463 11.6837 numMergedOcc 0
37 mol 236 unq 4 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 15.6894 15.7308 10.7497 9.99038 10.3827 10.6445 6.40312 7.17676 6.04825 numMergedOcc 0
38 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 12.2148 10.5433 6.2568 6.68463 8.8265 numMergedOcc 0
39 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 10.3827 10.6445 6.40312 7.17676 12.6468 numMergedOcc 0
40 mol 236 unq 7 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 17.9247 14.9122 12.0369 9.78037 12.2148 10.5433 6.2568 6.68463 5.80136 numMergedOcc 0
41 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 15.1483 10.9591 11.6195 7.48005 11.8736 numMergedOcc 0
42 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 15.1483 10.9591 11.6195 7.48005 5.79468 numMergedOcc 0
43 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 15.1483 10.9591 11.6195 7.48005 12.6649 numMergedOcc 0
44 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 5.40622 6.73206 5.63139 9.09992 10.841 numMergedOcc 0
45 mol 272 unq 1 iso 0 dist 6.94346 9.58279 8.33638 11.7245 5.40809 8.46116 16.0678 13.2494 8.12676 9.97651 14.4079 10.1966 8.52877 6.16449 4.72202 numMergedOcc 0
