0 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 17.1125 11.887 9.16962 15.0652 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 6.66387 9.16962 11.887 9.97117 7.23546 6.73162 15.0652 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 11.074 10.2241 9.58673 13.848 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 11.074 7.05413 9.58673 7.01363 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 10.6421 5.3525 8.24062 6.5096 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 16.3169 6.95868 9.2603 13.649 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 16.3169 6.95868 9.2603 12.48 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 5.82918 6.95868 9.2603 13.649 numMergedOcc 0
8 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 5.82918 6.95868 9.2603 12.48 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 9.39191 8.68821 5.33327 10.573 4.77056 7.52743 7.36816 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 9.81097 8.66155 6.09023 13.1716 10.9739 7.76729 12.4065 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 14.0848 11.7126 6.99777 9.9411 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 9.26862 4.62962 9.14376 11.764 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 9.44544 4.61908 9.66954 9.9411 numMergedOcc 0
14 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 12.7883 10.8939 7.64585 17.3282 numMergedOcc 0
15 mol 115 unq 5 iso 0 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 9.44544 4.61908 9.66954 11.764 numMergedOcc 0
16 mol 115 unq 6 iso 0 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 12.7883 10.8939 7.64585 12.1188 numMergedOcc 0
17 mol 115 unq 7 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 9.44544 4.61908 8.66155 9.9411 numMergedOcc 0
18 mol 115 unq 8 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 9.44544 4.61908 8.66155 11.764 numMergedOcc 0
19 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 12.2966 4.61908 9.66954 9.9411 numMergedOcc 0
20 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 10.1292 10.8939 7.64585 17.3282 numMergedOcc 0
21 mol 115 unq 11 iso 0 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 12.2966 4.61908 9.66954 11.764 numMergedOcc 0
22 mol 115 unq 12 iso 0 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 10.1292 10.8939 7.64585 12.1188 numMergedOcc 0
23 mol 115 unq 13 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 12.2966 4.61908 8.66155 9.9411 numMergedOcc 0
24 mol 115 unq 14 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 12.2966 4.61908 8.66155 11.764 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.2034 9.81878 4.77464 16.2351 14.085 8.59981 6.3244 numMergedOcc 0
26 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 10.2034 9.81878 4.77464 13.306 13.1312 7.34519 11.7518 numMergedOcc 0
27 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 5.10076 7.16254 6.3845 9.16944 4.9093 9.17284 6.51096 numMergedOcc 0
28 mol 155 unq 1 iso 0 dist 6.7973 5.01118 6.23493 9.64056 9.86313 5.86939 9.16944 4.9093 9.17284 10.3514 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 11.14 7.98142 9.53462 6.17129 6.7991 4.93785 12.2455 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 6.17129 6.7991 4.93785 11.691 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 11.14 7.98142 9.60512 14.2389 4.80231 6.93764 10.7841 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 14.2389 4.80231 6.93764 11.1129 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 6.09245 6.97182 8.47007 11.3587 6.67959 7.46831 11.7443 numMergedOcc 0
34 mol 214 unq 1 iso 0 dist 9.51764 6.53326 8.85478 10.8345 6.1175 12.8334 11.3587 6.67959 7.46831 12.7646 numMergedOcc 0
35 mol 214 unq 2 iso 0 dist 5.36829 12.3481 8.85478 8.69149 6.97182 8.47007 10.5513 6.67959 7.46831 11.7443 numMergedOcc 0
36 mol 214 unq 3 iso 0 dist 5.36829 12.3481 8.85478 6.00706 6.1175 12.8334 10.5513 6.67959 7.46831 12.7646 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 7.90095 6.87664 7.98696 14.5909 9.36098 7.06793 8.89778 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 7.90095 6.87664 7.98696 11.3096 5.29877 6.67585 9.47554 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 8.39002 5.72088 6.57273 7.90095 6.87664 7.12232 11.3096 5.29877 6.65984 9.47554 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 8.19915 4.65302 8.21247 11.9287 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 5.52698 8.21247 4.65302 14.8164 9.66021 9.58736 11.9287 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 10.8124 4.65302 8.21247 11.9287 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 6.66018 6.91569 10.9761 8.81534 6.20606 5.38637 11.9092 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.13537 10.3859 6.57393 6.16476 5.38637 6.20606 17.1186 10.9761 6.91569 11.9092 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 10.5745 4.99891 6.77938 11.4462 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 4.09442 8.37865 5.31048 8.46351 5.32839 7.76676 9.64797 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 7.53102 6.77938 4.99891 8.65525 5.31048 8.37865 11.4462 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 6.42725 8.70769 5.30224 6.58569 7.76676 5.32839 8.65525 5.31048 8.37865 9.64797 numMergedOcc 0
