0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.55371 5.47769 6.2983 10.406 5.48395 6.36377 9.05346 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 12.5689 5.3315 6.88695 9.97117 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 6.66387 9.16962 11.887 12.5689 15.0931 9.7522 17.1125 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65344 5.29688 6.85766 10.4897 6.71911 7.29033 4.67917 5.34079 8.05508 11.5407 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 9.81097 8.66155 11.3902 10.8042 8.25001 9.35868 15.8125 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 14.7907 10.9437 4.98864 9.44544 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 16.7534 12.0354 7.95871 12.2966 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 14.7907 11.0268 5.02717 14.0848 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 14.7907 11.0268 5.02717 9.26862 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 16.7534 11.0268 5.02717 14.0848 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 16.7534 11.0268 5.02717 9.26862 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 12.2899 5.59449 6.31125 9.90096 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 12.2899 5.59449 6.31125 10.3644 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.86531 6.26797 7.11802 5.80615 7.92688 4.68409 7.12336 5.37072 9.50322 11.5756 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 7.12336 5.37072 5.82404 11.5756 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 10.9808 4.82768 7.85877 7.35476 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 8.92054 5.23741 8.48065 14.8164 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 5.52698 8.21247 4.65302 8.92054 6.84447 9.11256 8.19915 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 8.48065 5.23741 5.4638 5.52698 8.21247 4.65302 12.1257 7.38431 7.08539 10.8124 numMergedOcc 0
19 mol 235 unq 3 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 12.1257 5.23741 8.48065 14.8164 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 8.90987 3.82437 6.84306 14.3961 7.17676 11.3552 11.1162 4.38595 9.89665 10.3034 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 8.90987 3.82437 6.84306 12.7435 6.68463 11.6837 11.1162 4.38595 9.89665 8.71945 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 8.90987 13.8124 9.99038 14.3961 7.17676 6.04825 14.4736 11.2013 5.66569 6.98151 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 8.90987 13.8124 9.99038 14.3961 7.17676 6.04825 18.1269 15.1664 6.11137 9.91572 numMergedOcc 0
24 mol 236 unq 4 iso 0 dist 8.90987 13.8124 9.99038 12.7435 6.68463 8.8265 14.4736 11.2013 5.66569 12.9923 numMergedOcc 0
25 mol 236 unq 5 iso 0 dist 8.90987 13.8124 9.99038 12.7435 6.68463 8.8265 18.1269 15.1664 6.11137 14.8319 numMergedOcc 0
26 mol 236 unq 6 iso 0 dist 8.90987 16.8883 8.35971 14.3961 7.17676 6.40312 11.1162 4.38595 9.05929 10.3034 numMergedOcc 0
27 mol 236 unq 7 iso 0 dist 8.90987 16.8883 8.35971 12.7435 6.68463 6.2568 11.1162 4.38595 9.05929 8.71945 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 6.66018 6.91569 10.9761 13.7774 10.3859 9.13537 17.1186 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.13537 10.3859 6.57393 6.16476 5.38637 6.20606 13.7774 5.33567 6.24928 8.81534 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 5.30455 8.70769 6.42725 8.65525 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 7.53102 6.77938 4.99891 5.30455 5.59901 9.12507 10.5745 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 6.58569 7.76676 5.32839 5.30455 5.59901 9.12507 8.46351 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 12.5468 9.0012 5.12409 11.229 3.93713 8.19504 11.0809 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 8.43858 8.55312 6.24356 15.8008 9.5784 9.67998 11.229 3.93713 8.19504 11.1852 numMergedOcc 0
