0 mol 4 unq 0 iso 0 dist 9.4539 5.30385 7.87155 11.0787 14.7715 9.16617 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.47964 5.30385 8.55937 11.0787 15.3835 9.16617 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 9.50144 5.30385 11.5141 11.0787 15.6287 9.16617 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.22152 7.06532 10.658 5.75653 13.3202 8.23446 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 5.59762 9.21546 9.97159 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.12267 6.07108 6.56501 6.39047 11.9613 9.49144 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.27009 5.63802 6.56501 7.63289 11.9613 9.49144 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 5.80736 5.63802 4.53519 7.63289 12.3125 9.49144 numMergedOcc 0
8 mol 67 unq 3 iso 0 dist 8.43162 6.07108 12.2002 6.39047 13.6859 9.49144 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 12.8388 11.6724 9.24757 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.91354 6.93893 5.06999 14.4094 9.87709 9.30539 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.15664 8.96747 4.92054 6.09495 7.11695 8.91313 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.52754 6.56978 5.02461 13.2001 10.9423 7.80975 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.52754 6.56978 5.02461 6.23541 10.3583 7.10378 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 7.1859 7.73086 4.93063 4.51951 8.65215 6.98314 numMergedOcc 0
15 mol 101 unq 1 iso 0 dist 7.1859 7.73086 4.93063 5.82598 9.65097 7.61685 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 8.51572 9.23757 8.72987 7.49434 13.0412 9.06288 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 5.99695 8.59695 9.36851 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 5.99695 8.59695 4.97175 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 9.70656 14.1021 9.91993 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 8.6953 6.86997 4.74651 5.77745 12.9544 9.99156 numMergedOcc 0
21 mol 148 unq 2 iso 0 dist 8.6953 7.46919 9.03832 9.70656 14.1021 6.22055 numMergedOcc 0
22 mol 148 unq 3 iso 0 dist 8.6953 7.46919 9.03832 5.77745 12.9544 8.18085 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 9.69704 14.0932 9.96691 numMergedOcc 0
24 mol 150 unq 1 iso 0 dist 8.65967 6.79381 4.75241 5.71213 12.8058 9.8656 numMergedOcc 0
25 mol 150 unq 2 iso 0 dist 8.65967 7.36989 9.0892 9.69704 14.0932 6.14675 numMergedOcc 0
26 mol 150 unq 3 iso 0 dist 8.65967 7.36989 9.0892 5.71213 12.8058 7.94889 numMergedOcc 0
27 mol 150 unq 4 iso 0 dist 8.65967 8.17805 10.21 9.69704 14.0932 9.24244 numMergedOcc 0
28 mol 158 unq 0 iso 0 dist 9.38856 8.07946 9.75659 5.23723 10.1102 8.647 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 8.67611 13.9347 6.64834 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 6.19457 6.4751 9.13204 9.28655 13.9194 5.93786 numMergedOcc 0
31 mol 171 unq 2 iso 0 dist 6.19457 6.4751 9.13204 10.4021 12.5963 8.24693 numMergedOcc 0
32 mol 171 unq 3 iso 0 dist 6.19457 6.4751 9.13204 11.8046 15.34 7.36698 numMergedOcc 0
33 mol 171 unq 4 iso 0 dist 6.19457 5.75085 6.62952 9.28655 13.9194 8.1344 numMergedOcc 0
34 mol 171 unq 5 iso 0 dist 6.19457 5.75085 6.62952 10.4021 12.5963 6.71356 numMergedOcc 0
35 mol 174 unq 0 iso 0 dist 7.27146 5.07761 4.80246 12.6579 14.3124 9.87122 numMergedOcc 0
36 mol 174 unq 1 iso 0 dist 6.25798 5.07761 9.44119 12.6579 18.342 9.87122 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 7.42609 9.81041 9.77896 numMergedOcc 0
38 mol 188 unq 0 iso 0 dist 8.1907 6.20426 5.01686 9.41911 11.3059 8.10214 numMergedOcc 0
39 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 7.00308 10.999 7.36683 numMergedOcc 0
40 mol 195 unq 1 iso 0 dist 7.2833 9.25935 8.71774 5.34788 7.04524 9.26504 numMergedOcc 0
41 mol 198 unq 0 iso 0 dist 8.51153 8.28295 5.3597 4.81051 9.53527 6.34616 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 9.52029 9.46973 4.29037 18.5654 9.44947 9.68728 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 9.89039 7.46122 9.36068 10.6943 15.6403 6.59716 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 8.57174 7.46122 15.6078 10.6943 18.2814 6.59716 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 6.77822 9.25162 9.4234 16.9877 18.0287 9.05071 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 7.74348 7.13854 9.7977 6.81625 10.7277 7.1686 numMergedOcc 0
47 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 10.5547 17.8964 5.50492 numMergedOcc 0
48 mol 244 unq 1 iso 0 dist 7.79787 9.97458 4.89551 10.5547 9.21656 5.50492 numMergedOcc 0
49 mol 271 unq 0 iso 0 dist 9.50884 7.03848 11.0964 7.30308 9.42899 9.70714 numMergedOcc 0
