0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 10.8849 19.557 9.42634 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 5.07222 13.475 7.55253 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.99402 9.78153 17.1926 12.5246 18.9112 8.06428 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.26685 7.34681 9.4204 4.2802 12.5103 6.64199 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 4.83638 11.087 9.11745 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.83595 8.204 10.5615 5.2103 10.9758 4.62145 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 7.83595 8.204 10.5615 14.1481 16.9608 9.71995 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 8.84148 5.52834 5.21506 10.1829 14.4319 9.39402 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.38928 9.40644 8.74683 8.12843 12.6567 7.33788 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.38928 9.40644 8.74683 9.72202 14.8248 9.74351 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.38928 9.40644 8.74683 12.7252 15.3951 7.36877 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.38928 5.35252 5.03338 8.12843 12.6567 8.52681 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 7.38928 5.35252 5.03338 9.72202 14.8248 9.98769 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 8.36915 9.53081 13.2937 15.1442 16.9082 7.90416 numMergedOcc 0
14 mol 48 unq 6 iso 0 dist 8.36915 9.53081 13.2937 4.89976 13.0903 9.74553 numMergedOcc 0
15 mol 48 unq 7 iso 0 dist 6.01454 9.53081 5.41488 15.1442 9.77004 7.90416 numMergedOcc 0
16 mol 48 unq 8 iso 0 dist 6.01454 9.53081 5.41488 4.89976 8.36323 9.74553 numMergedOcc 0
17 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 10.9916 14.1776 8.6701 numMergedOcc 0
18 mol 64 unq 1 iso 0 dist 7.24183 5.41357 7.05519 7.48046 14.1776 8.6701 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 7.85784 10.1296 5.88827 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 14.3054 11.0617 9.66175 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 5.50078 10.0184 9.50939 numMergedOcc 0
22 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 13.3292 14.4582 9.20673 numMergedOcc 0
23 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 4.77556 5.28331 7.01987 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.72803 8.2575 5.87382 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 3.75302 12.5105 8.95465 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 4.37065 11.2252 8.98028 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 5.12189 9.2759 10.8516 15.7191 18.338 8.98028 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 7.50126 9.2759 5.35551 15.7191 11.2252 8.98028 numMergedOcc 0
29 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 8.03052 14.9179 9.0735 numMergedOcc 0
30 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 8.06512 14.9398 9.03593 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 13.4119 14.1102 7.76952 numMergedOcc 0
32 mol 158 unq 1 iso 0 dist 7.07348 9.96635 10.9312 12.6695 15.9309 9.98554 numMergedOcc 0
33 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 13.1056 19.296 8.61788 numMergedOcc 0
34 mol 160 unq 0 iso 0 dist 8.87648 8.1876 4.70871 7.58696 13.059 9.5578 numMergedOcc 0
35 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 6.22764 4.63353 8.00005 numMergedOcc 0
36 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 6.39898 14.9436 7.20131 numMergedOcc 0
37 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 14.3669 17.4248 8.69656 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 8.09407 12.9744 8.92335 numMergedOcc 0
39 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 9.82858 13.0939 7.97601 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 7.00683 9.52029 8.61406 16.0878 16.6657 8.98633 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 10.602 14.3695 7.80646 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.71944 8.82663 5.45067 4.93894 8.32306 5.95109 numMergedOcc 0
43 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 4.45276 10.1927 9.62914 numMergedOcc 0
44 mol 230 unq 1 iso 0 dist 6.88683 9.24729 11.0843 15.7177 17.788 9.73038 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 6.00654 8.86185 8.20191 6.16212 9.94177 9.58325 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 9.59937 7.58554 5.94643 10.9079 11.1939 5.4687 numMergedOcc 0
47 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 4.80974 8.75742 9.45199 numMergedOcc 0
48 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 13.59 18.3375 9.07512 numMergedOcc 0
49 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 8.32339 7.80866 9.04147 numMergedOcc 0
50 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 8.32339 13.9394 9.04147 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 4.30068 12.8603 7.14871 numMergedOcc 0
52 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 10.2597 12.8603 7.14871 numMergedOcc 0
53 mol 265 unq 0 iso 0 dist 9.50814 7.52632 3.89234 10.5232 9.47603 6.04835 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 7.52317 13.6284 6.39822 numMergedOcc 0
55 mol 266 unq 1 iso 0 dist 9.77392 9.0836 16.492 9.52953 14.9038 5.36518 numMergedOcc 0
56 mol 266 unq 2 iso 0 dist 9.77392 9.62494 18.9489 5.79323 12.7077 9.90506 numMergedOcc 0
57 mol 266 unq 3 iso 0 dist 9.77392 9.62494 18.9489 7.52317 13.6284 8.61077 numMergedOcc 0
58 mol 266 unq 4 iso 0 dist 9.77392 9.62494 18.9489 9.52953 14.9038 9.11585 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 14.4215 13.4083 9.07744 numMergedOcc 0
60 mol 281 unq 0 iso 0 dist 6.7897 6.58925 4.37855 14.7035 12.9128 9.39268 numMergedOcc 0
61 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.4471 11.9006 7.21879 numMergedOcc 0
62 mol 282 unq 1 iso 0 dist 8.61456 9.98886 4.68809 12.5442 13.4825 9.60384 numMergedOcc 0
63 mol 282 unq 2 iso 0 dist 8.41041 8.22117 9.80233 10.1631 11.9006 7.21879 numMergedOcc 0
64 mol 282 unq 3 iso 0 dist 8.41041 6.81887 4.68809 7.00145 13.4825 9.60384 numMergedOcc 0
