0 mol 1 unq 0 iso 0 dist 8.69605 9.78935 14.4278 10.8375 16.9131 8.56884 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.28158 7.33936 4.57338 14.036 11.4833 8.68559 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.41357 8.64746 4.97497 9.95527 8.75668 8.68586 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 5.41357 8.64746 4.97497 6.41829 9.64871 9.54144 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 9.30042 8.64746 6.60091 9.95527 12.8796 8.68586 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 9.30042 8.64746 6.60091 6.41829 13.3367 9.54144 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 8.25597 8.26819 8.88127 12.5382 15.1843 6.33365 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 8.25597 8.26819 8.88127 5.56574 9.20448 5.15851 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 4.76466 8.26819 6.78257 12.5382 12.4745 6.33365 numMergedOcc 0
9 mol 75 unq 3 iso 0 dist 4.76466 8.26819 6.78257 5.56574 6.96759 5.15851 numMergedOcc 0
10 mol 75 unq 4 iso 0 dist 8.67172 8.26819 4.7798 12.5382 11.0069 6.33365 numMergedOcc 0
11 mol 75 unq 5 iso 0 dist 8.67172 8.26819 4.7798 5.56574 6.97318 5.15851 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.15664 6.00131 6.85223 6.09495 7.11695 8.36431 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 8.68674 9.46619 6.83905 11.4646 12.9268 7.72108 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 7.1859 7.43143 4.09052 5.82598 9.65097 9.57816 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.80824 8.81198 5.13314 12.0855 9.21474 6.87861 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.80824 8.81198 5.13314 5.74878 9.70616 6.50039 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 9.67606 8.81198 6.8882 12.0855 13.5164 6.87861 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 9.67606 8.81198 6.8882 5.74878 9.28214 6.50039 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 7.93793 5.45159 8.53498 5.9827 12.6241 6.192 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 7.93793 5.45159 8.53498 7.79941 14.9222 7.69308 numMergedOcc 0
21 mol 127 unq 2 iso 0 dist 7.93793 5.45159 8.53498 13.8098 15.9068 8.59981 numMergedOcc 0
22 mol 127 unq 3 iso 0 dist 7.93793 5.45159 8.53498 12.0185 14.1377 7.66331 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.76088 6.61636 12.398 14.1314 20.0949 7.92688 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 8.84987 8.57818 13.8273 12.3545 18.2684 9.93083 numMergedOcc 0
25 mol 183 unq 1 iso 0 dist 8.84987 8.57818 13.8273 5.72 12.4753 7.01383 numMergedOcc 0
26 mol 187 unq 0 iso 0 dist 5.58167 7.9625 10.7843 4.98423 6.82787 9.27478 numMergedOcc 0
27 mol 187 unq 1 iso 0 dist 8.0501 7.9625 9.27977 4.98423 12.7503 9.27478 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.20044 9.01377 13.2711 14.7256 20.4045 9.59333 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 8.41232 9.01377 10.5475 14.7256 18.7904 9.59333 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 5.25149 5.00266 4.51612 6.19375 5.39218 6.99002 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 6.80214 5.91133 7.67444 5.04898 10.6651 7.82944 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 8.6368 5.00266 8.8105 6.19375 14.3841 6.99002 numMergedOcc 0
33 mol 220 unq 3 iso 0 dist 6.50756 9.49722 7.8513 14.13 15.0634 7.82944 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 6.23677 8.76325 4.76056 6.87755 7.49783 7.06793 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 7.31608 8.85101 4.76056 11.0252 7.49783 7.06793 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 7.96226 8.85101 4.1117 11.0252 10.6915 7.06793 numMergedOcc 0
37 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 5.79543 15.686 7.77367 numMergedOcc 0
38 mol 228 unq 1 iso 0 dist 9.9685 7.95486 13.9493 10.4968 19.78 8.20909 numMergedOcc 0
39 mol 228 unq 2 iso 0 dist 9.9685 7.95486 13.9493 14.5051 21.545 7.94506 numMergedOcc 0
40 mol 228 unq 3 iso 0 dist 9.9685 7.95486 13.9493 10.0847 18.7846 8.15494 numMergedOcc 0
41 mol 228 unq 4 iso 0 dist 9.9685 4.42593 7.98833 5.79543 15.686 9.06121 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 4.71683 5.77356 4.71339 5.27568 9.13551 7.17676 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 4.71683 5.77356 4.71339 7.77821 7.87233 5.34718 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 4.71683 9.24309 11.3543 5.27568 9.13551 6.68463 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.58092 6.73928 11.8838 4.6881 11.1621 6.49982 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.86267 9.44826 3.83813 7.02254 6.11671 7.50578 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 8.8646 5.45375 8.73313 6.01492 14.8032 9.02188 numMergedOcc 0
48 mol 293 unq 0 iso 0 dist 4.72125 5.50284 5.86908 6.91752 11.5814 9.47908 numMergedOcc 0
49 mol 293 unq 1 iso 0 dist 4.72125 5.50284 5.86908 5.66805 5.44043 8.56847 numMergedOcc 0
50 mol 293 unq 2 iso 0 dist 4.72125 8.88355 10.4612 6.91752 11.5814 9.97212 numMergedOcc 0
51 mol 293 unq 3 iso 0 dist 6.52889 7.44889 6.42397 8.36783 13.2949 9.47908 numMergedOcc 0
52 mol 293 unq 4 iso 0 dist 6.52889 7.44889 6.42397 9.51167 9.25564 8.56847 numMergedOcc 0
