0 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 13.323 6.59893 6.31564 10.6355 9.5589 10.7219 11.9881 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 8.88887 5.97635 13.323 6.59893 6.31564 6.43082 6.83299 6.76462 10.3564 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 8.88887 5.97635 13.323 6.59893 6.31564 11.7347 8.10861 13.2619 12.4254 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.51978 8.88887 5.97635 10.6593 5.59773 4.94741 10.6355 9.5589 10.7219 13.9079 numMergedOcc 0
4 mol 54 unq 4 iso 0 dist 7.51978 8.88887 5.97635 10.6593 5.59773 4.94741 6.43082 6.83299 6.76462 10.4238 numMergedOcc 0
5 mol 54 unq 5 iso 0 dist 7.51978 8.88887 5.97635 10.6593 5.59773 4.94741 11.7347 8.10861 13.2619 10.1356 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.65229 6.50047 7.15985 12.9793 6.85381 8.86411 5.43987 9.60462 6.68714 12.5148 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.65229 6.50047 7.15985 12.9793 6.85381 8.86411 9.7695 7.45389 6.71889 6.38057 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.59784 9.25954 5.63005 6.69727 9.42766 12.1048 9.70986 8.73993 10.5268 14.0677 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 12.2043 8.33083 3.45209 6.01457 8.37808 11.0216 12.4383 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 5.09114 9.14438 6.78949 12.2043 8.33083 9.13822 6.01457 8.37808 7.54208 12.4383 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 6.83122 6.06185 9.51764 12.2514 8.49704 15.3761 9.3424 9.65138 6.28065 12.4611 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 6.83122 6.06185 9.51764 12.2514 8.49704 15.3761 12.2622 7.14453 11.2159 11.832 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 6.83122 6.06185 9.51764 12.2514 8.49704 15.3761 6.75833 8.85478 6.53326 10.644 numMergedOcc 0
14 mol 214 unq 3 iso 0 dist 6.83122 12.1024 5.36829 12.2514 8.49704 8.72971 9.3424 9.65138 11.7583 12.4611 numMergedOcc 0
15 mol 214 unq 4 iso 0 dist 6.83122 12.1024 5.36829 12.2514 8.49704 8.72971 12.2622 7.14453 4.98764 11.832 numMergedOcc 0
16 mol 214 unq 5 iso 0 dist 6.83122 12.1024 5.36829 12.2514 8.49704 8.72971 6.75833 8.85478 12.3481 10.644 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.82174 11.6082 6.24928 10.7991 9.75174 9.87348 10.4397 6.57393 5.33567 13.477 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 6.06312 7.29898 11.3437 8.22485 7.57994 9.07501 6.6173 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 6.42827 7.26569 6.37672 6.06312 7.29898 11.3437 6.77698 6.18582 4.24014 8.95486 numMergedOcc 0
20 mol 249 unq 2 iso 0 dist 6.42827 7.26569 6.37672 10.3054 8.91685 13.0712 8.22485 7.57994 9.07501 5.25611 numMergedOcc 0
21 mol 249 unq 3 iso 0 dist 6.42827 7.26569 6.37672 10.3054 8.91685 13.0712 6.77698 6.18582 4.24014 9.66184 numMergedOcc 0
22 mol 249 unq 4 iso 0 dist 6.42827 6.09915 8.94023 6.06312 7.29898 11.2158 8.22485 7.57994 9.53929 6.6173 numMergedOcc 0
23 mol 249 unq 5 iso 0 dist 6.42827 6.09915 8.94023 6.06312 7.29898 11.2158 6.77698 6.18582 5.36989 8.95486 numMergedOcc 0
24 mol 249 unq 6 iso 0 dist 6.42827 6.09915 8.94023 10.3054 8.91685 13.8209 8.22485 7.57994 9.53929 5.25611 numMergedOcc 0
25 mol 249 unq 7 iso 0 dist 6.42827 6.09915 8.94023 10.3054 8.91685 13.8209 6.77698 6.18582 5.36989 9.66184 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 5.76077 5.03278 5.89502 8.19585 7.7993 4.10634 9.0081 9.02271 9.25001 13.0587 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 5.76077 5.03278 5.89502 6.8205 6.10761 4.97753 9.0081 9.02271 9.25001 4.70422 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 5.76077 4.58695 7.15815 8.19585 7.7993 11.0688 9.0081 9.02271 4.93871 13.0587 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 5.76077 4.58695 7.15815 6.8205 6.10761 5.23198 9.0081 9.02271 4.93871 4.70422 numMergedOcc 0
30 mol 253 unq 4 iso 0 dist 7.0247 12.6079 5.89502 14.4438 7.7993 4.10634 10.9027 9.02271 9.25001 13.0587 numMergedOcc 0
31 mol 253 unq 5 iso 0 dist 7.0247 12.6079 5.89502 10.5134 6.10761 4.97753 10.9027 9.02271 9.25001 4.70422 numMergedOcc 0
32 mol 253 unq 6 iso 0 dist 7.0247 11.088 7.15815 14.4438 7.7993 11.0688 10.9027 9.02271 4.93871 13.0587 numMergedOcc 0
33 mol 253 unq 7 iso 0 dist 7.0247 11.088 7.15815 10.5134 6.10761 5.23198 10.9027 9.02271 4.93871 4.70422 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.47382 12.8939 9.54857 12.8835 7.93997 5.09929 13.8605 7.46176 15.3806 14.8465 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 7.22438 7.51377 9.96394 9.38576 6.94346 5.76243 10.3544 8.33638 11.5918 9.58279 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.27977 4.0145 7.74162 14.4082 8.13489 11.6227 13.1217 9.70696 9.5773 5.51096 numMergedOcc 0
