0 mol 7 unq 0 iso 0 dist 8.85869 14.1047 9.85726 19.2577 11.5784 9.60499 13.0802 5.25379 6.7985 6.55304 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.85869 14.1047 9.85726 19.2577 11.5784 9.60499 9.02286 5.03532 6.44736 12.2869 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.72142 5.40044 8.47315 6.28033 5.59769 4.7319 9.9153 12.1062 6.72833 6.51133 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 16.9822 10.2885 6.93532 5.30082 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 16.9822 10.2885 6.93532 10.4366 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 16.0184 10.7304 8.95682 6.18002 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 16.0184 10.7304 8.95682 8.38399 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 11.9521 10.7304 8.95682 6.18002 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 11.9521 10.7304 8.95682 8.38399 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 8.60653 7.93241 7.21717 15.293 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 8.60653 7.93241 7.21717 13.86 numMergedOcc 0
11 mol 54 unq 2 iso 0 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 8.60653 7.93241 7.21717 5.99981 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 13.2119 11.5412 9.24757 5.11416 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 13.2119 11.5412 9.24757 6.56633 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 13.2119 11.5412 9.24757 15.3808 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 13.2119 11.2253 9.24757 5.11416 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 13.2119 11.2253 9.24757 6.56633 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 13.2119 11.2253 9.24757 15.3808 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 14.1293 11.2253 9.24757 5.11416 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 14.1293 11.2253 9.24757 6.56633 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 14.1293 11.2253 9.24757 15.3808 numMergedOcc 0
21 mol 73 unq 9 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 17.6925 11.5412 9.24757 5.11416 numMergedOcc 0
22 mol 73 unq 10 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 17.6925 11.5412 9.24757 6.56633 numMergedOcc 0
23 mol 73 unq 11 iso 0 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 17.6925 11.5412 9.24757 15.3808 numMergedOcc 0
24 mol 73 unq 12 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 17.6925 11.2253 9.24757 5.11416 numMergedOcc 0
25 mol 73 unq 13 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 17.6925 11.2253 9.24757 6.56633 numMergedOcc 0
26 mol 73 unq 14 iso 0 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 17.6925 11.2253 9.24757 15.3808 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 12.1389 6.42572 7.36792 18.7002 10.4216 8.31932 7.42011 numMergedOcc 0
28 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 12.1389 5.54551 7.36792 18.7002 12.8733 8.31932 7.42011 numMergedOcc 0
29 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 9.84673 6.42572 7.36792 11.4976 10.4216 8.31932 7.42011 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 11.8382 7.18757 7.5732 12.7156 12.5697 6.84011 7.436 numMergedOcc 0
31 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 18.0518 12.4383 8.37808 15.0655 7.09391 9.23819 7.39059 numMergedOcc 0
32 mol 122 unq 1 iso 0 dist 9.44209 11.9943 8.33083 18.0518 12.4383 8.37808 18.2821 10.4589 8.88537 5.0355 numMergedOcc 0
33 mol 130 unq 0 iso 0 dist 8.26291 10.9365 7.83619 13.2314 10.0837 9.28393 6.87196 7.91054 7.96646 6.73735 numMergedOcc 0
34 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 12.6804 10.0837 9.28393 12.3159 7.91054 7.96646 6.73735 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 5.43662 4.17212 8.70296 14.2045 numMergedOcc 0
36 mol 131 unq 1 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 13.3064 13.6005 9.25558 5.09131 numMergedOcc 0
37 mol 131 unq 2 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 5.43662 9.64263 8.70296 14.2045 numMergedOcc 0
38 mol 131 unq 3 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 13.3064 5.55307 9.25558 5.09131 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 10.6749 9.69888 9.4013 5.71511 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 10.6749 9.69888 9.4013 6.13574 numMergedOcc 0
41 mol 156 unq 2 iso 0 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 10.6749 9.69888 9.4013 5.80008 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 15.6807 9.69888 9.4013 5.71511 numMergedOcc 0
43 mol 156 unq 4 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 15.6807 9.69888 9.4013 6.13574 numMergedOcc 0
44 mol 156 unq 5 iso 0 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 15.6807 9.69888 9.4013 5.80008 numMergedOcc 0
45 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 15.2004 10.5222 9.39352 7.27408 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 4.35909 5.32859 7.44191 11.0615 9.60754 8.03334 8.50938 6.70394 6.46704 4.43096 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 4.35909 5.32859 7.44191 11.0615 9.60754 8.03334 9.8283 11.2787 6.59025 8.04639 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 5.77393 5.32859 6.00053 11.0615 11.1879 8.03334 8.50938 10.8517 6.46704 4.43096 numMergedOcc 0
49 mol 181 unq 3 iso 0 dist 5.77393 5.32859 6.00053 11.0615 11.1879 8.03334 9.8283 5.87168 6.59025 8.04639 numMergedOcc 0
50 mol 220 unq 0 iso 0 dist 8.58709 5.1021 9.8711 6.21273 4.90657 9.23153 7.58118 4.39102 6.59716 7.11498 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 13.4892 15.9714 9.07471 7.75466 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 13.4892 15.9714 9.07471 13.3447 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 11.6367 16.3489 7.43071 6.00424 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 6.65275 5.75236 5.41321 10.7656 numMergedOcc 0
55 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 11.6367 16.3489 7.43071 6.35849 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 6.65275 5.75236 5.41321 10.9607 numMergedOcc 0
57 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 11.6367 16.3489 7.43071 10.204 numMergedOcc 0
58 mol 227 unq 5 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 6.65275 5.75236 5.41321 9.72615 numMergedOcc 0
59 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 11.6367 16.3489 7.43071 9.76735 numMergedOcc 0
60 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 6.65275 5.75236 5.41321 5.10635 numMergedOcc 0
61 mol 227 unq 8 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 11.6367 16.3489 7.43071 9.32448 numMergedOcc 0
62 mol 227 unq 9 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 6.65275 5.75236 5.41321 6.48027 numMergedOcc 0
63 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 6.83046 5.29737 6.16342 10.3104 7.48655 8.84636 4.30299 numMergedOcc 0
64 mol 248 unq 0 iso 0 dist 7.83878 5.68749 7.66519 12.7933 6.42363 9.56569 10.1331 5.81577 7.16525 4.30004 numMergedOcc 0
65 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 10.291 6.6173 7.57994 13.1394 10.4369 5.48118 10.7772 numMergedOcc 0
66 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 12.7977 8.95486 6.18582 13.1394 10.4369 5.48118 7.04666 numMergedOcc 0
67 mol 249 unq 2 iso 0 dist 6.50067 8.68833 8.91685 10.291 5.25611 7.57994 13.1394 13.4788 5.48118 10.7772 numMergedOcc 0
68 mol 249 unq 3 iso 0 dist 6.50067 8.68833 8.91685 12.7977 9.66184 6.18582 13.1394 13.4788 5.48118 7.04666 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 12.6353 14.679 9.85289 6.20558 numMergedOcc 0
70 mol 274 unq 1 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 12.6353 14.679 9.85289 11.4459 numMergedOcc 0
71 mol 274 unq 2 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 15.8084 14.679 9.85289 6.20558 numMergedOcc 0
72 mol 274 unq 3 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 15.8084 14.679 9.85289 11.4459 numMergedOcc 0
73 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 12.5082 7.46507 9.0975 5.65568 numMergedOcc 0
74 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 12.5082 7.46507 9.0975 8.12478 numMergedOcc 0
75 mol 282 unq 2 iso 0 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.5082 7.46507 9.0975 5.0324 numMergedOcc 0
76 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 12.5082 7.79565 9.0975 5.65568 numMergedOcc 0
77 mol 282 unq 4 iso 0 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 12.5082 7.79565 9.0975 8.12478 numMergedOcc 0
78 mol 282 unq 5 iso 0 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.5082 7.79565 9.0975 5.0324 numMergedOcc 0
