0 mol 0 unq 0 iso 0 dist 8.38106 6.64852 6.8892 11.108 5.55156 5.85361 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 6.26414 6.8892 4.4975 5.55156 5.85361 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 7.97369 6.66589 6.56189 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 8.67981 3.6405 9.04027 7.97369 6.66589 6.22773 numMergedOcc 0
4 mol 5 unq 0 iso 0 dist 5.14917 9.57274 8.88048 4.34873 6.77563 9.72215 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 9.62683 8.89145 13.2274 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.68091 4.04843 8.68949 7.08043 6.92865 8.33226 numMergedOcc 0
7 mol 12 unq 0 iso 0 dist 4.62913 4.60834 6.6051 5.85944 8.17618 6.67154 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 16.4344 8.64208 13.0612 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 8.34804 10.7182 8.27009 11.9474 7.9572 10.6864 numMergedOcc 0
10 mol 67 unq 2 iso 0 dist 8.34804 5.66613 5.80736 16.4344 8.64208 11.8891 numMergedOcc 0
11 mol 67 unq 3 iso 0 dist 8.34804 5.66613 5.80736 11.9474 7.9572 6.3173 numMergedOcc 0
12 mol 71 unq 0 iso 0 dist 8.39608 3.91691 8.92529 4.93292 8.21553 6.10737 numMergedOcc 0
13 mol 71 unq 1 iso 0 dist 8.39608 3.91691 8.92529 9.16746 8.22762 6.78097 numMergedOcc 0
14 mol 71 unq 2 iso 0 dist 7.28815 10.1018 8.92529 6.53623 8.21553 6.10737 numMergedOcc 0
15 mol 71 unq 3 iso 0 dist 7.28815 10.1018 8.92529 5.67157 8.22762 6.78097 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 11.2491 9.1329 5.507 numMergedOcc 0
17 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 5.00184 9.33217 5.76272 numMergedOcc 0
18 mol 87 unq 2 iso 0 dist 6.97882 6.27329 5.62336 12.8734 9.03114 7.26523 numMergedOcc 0
19 mol 87 unq 3 iso 0 dist 9.4868 15.7737 9.90256 11.2491 5.26938 5.30415 numMergedOcc 0
20 mol 87 unq 4 iso 0 dist 9.4868 15.7737 9.90256 12.8734 8.91602 11.2095 numMergedOcc 0
21 mol 87 unq 5 iso 0 dist 9.4868 6.27329 5.63748 11.2491 5.26938 5.507 numMergedOcc 0
22 mol 87 unq 6 iso 0 dist 9.4868 6.27329 5.63748 12.8734 8.91602 7.26523 numMergedOcc 0
23 mol 87 unq 7 iso 0 dist 7.7858 7.88443 5.62336 11.2195 9.1329 5.507 numMergedOcc 0
24 mol 87 unq 8 iso 0 dist 7.7858 7.88443 5.62336 9.58456 9.33217 5.76272 numMergedOcc 0
25 mol 87 unq 9 iso 0 dist 7.7858 7.88443 5.62336 5.66355 9.03114 7.26523 numMergedOcc 0
26 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 9.34008 7.23052 5.1738 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.02121 6.65963 4.98711 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 5.52891 6.87376 5.83719 4.70935 8.62711 11.2447 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 7.16287 4.21327 6.94745 4.90475 6.495 5.28089 numMergedOcc 0
30 mol 132 unq 1 iso 0 dist 7.16287 4.21327 6.94745 6.34266 9.43748 4.50065 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 5.01269 6.65104 9.23104 6.49846 5.97805 4.80228 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 5.9962 5.9683 8.76088 4.58263 8.96061 8.99025 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 8.61448 13.8877 8.76088 10.1805 8.96061 8.99025 numMergedOcc 0
34 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 6.51864 8.8573 5.06947 numMergedOcc 0
35 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 5.14137 8.8573 5.06947 numMergedOcc 0
36 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 9.22906 6.01711 6.89436 numMergedOcc 0
37 mol 174 unq 0 iso 0 dist 4.77805 5.75017 7.27146 5.14186 8.4931 4.74974 numMergedOcc 0
38 mol 174 unq 1 iso 0 dist 4.77805 6.92858 6.25798 5.14186 8.4931 6.97243 numMergedOcc 0
39 mol 217 unq 0 iso 0 dist 8.60259 6.44163 7.60302 3.99617 9.90668 8.92136 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 15.5892 7.30244 12.2765 numMergedOcc 0
41 mol 220 unq 1 iso 0 dist 8.55805 4.74145 6.39087 15.0704 7.29796 13.2427 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 8.20542 4.60599 8.63249 11.2013 9.97357 13.6195 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 8.20542 4.60599 8.63249 4.15973 6.36941 7.45579 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 5.6568 4.24722 7.74348 9.22303 9.96011 13.0929 numMergedOcc 0
45 mol 250 unq 0 iso 0 dist 9.54274 8.6355 8.69437 5.45802 5.32724 5.58623 numMergedOcc 0
46 mol 250 unq 1 iso 0 dist 8.65735 7.30402 8.69437 3.78208 5.32724 5.58623 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 9.07364 9.67877 13.3533 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 9.17911 15.4705 8.10903 17.1229 8.81059 5.90131 numMergedOcc 0
49 mol 258 unq 2 iso 0 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 numMergedOcc 0
50 mol 258 unq 3 iso 0 dist 9.17911 13.8539 7.25618 9.07364 9.67877 15.0574 numMergedOcc 0
51 mol 258 unq 4 iso 0 dist 9.17911 13.8539 7.25618 17.1229 8.81059 4.51422 numMergedOcc 0
52 mol 258 unq 5 iso 0 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 numMergedOcc 0
53 mol 258 unq 6 iso 0 dist 9.46746 3.74614 9.48772 9.05496 8.55181 5.84297 numMergedOcc 0
54 mol 258 unq 7 iso 0 dist 9.46746 10.7968 5.53369 9.05496 8.55181 5.49492 numMergedOcc 0
55 mol 258 unq 8 iso 0 dist 9.46746 12.9568 8.57274 9.05496 8.55181 5.80854 numMergedOcc 0
56 mol 258 unq 9 iso 0 dist 7.31698 6.89961 9.48772 6.46484 8.55181 5.84297 numMergedOcc 0
57 mol 258 unq 10 iso 0 dist 7.31698 4.91726 5.53369 6.46484 8.55181 5.49492 numMergedOcc 0
58 mol 258 unq 11 iso 0 dist 7.31698 10.693 8.57274 6.46484 8.55181 5.80854 numMergedOcc 0
59 mol 258 unq 12 iso 0 dist 9.52903 5.66907 8.10903 14.2753 9.67877 13.3533 numMergedOcc 0
60 mol 258 unq 13 iso 0 dist 9.52903 5.66907 8.10903 7.52881 8.81059 5.90131 numMergedOcc 0
61 mol 258 unq 14 iso 0 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 numMergedOcc 0
62 mol 258 unq 15 iso 0 dist 9.52903 9.6053 7.25618 14.2753 9.67877 15.0574 numMergedOcc 0
63 mol 258 unq 16 iso 0 dist 9.52903 9.6053 7.25618 7.52881 8.81059 4.51422 numMergedOcc 0
64 mol 258 unq 17 iso 0 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 numMergedOcc 0
65 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.5063 6.54753 4.77695 numMergedOcc 0
66 mol 273 unq 1 iso 0 dist 9.80002 10.5975 7.6489 10.5063 6.54753 9.01117 numMergedOcc 0
67 mol 273 unq 2 iso 0 dist 6.73794 3.92089 5.78262 5.75973 6.54753 4.77695 numMergedOcc 0
68 mol 273 unq 3 iso 0 dist 6.73794 12.0094 7.6489 5.75973 6.54753 9.01117 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 4.4049 9.81087 7.24261 numMergedOcc 0
70 mol 276 unq 0 iso 0 dist 9.5388 17.4715 9.87655 10.8564 8.95876 11.5806 numMergedOcc 0
71 mol 276 unq 1 iso 0 dist 9.5388 17.4715 9.87655 12.2055 8.259 6.7181 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 14.2115 9.84188 10.2486 numMergedOcc 0
73 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 10.8075 8.35794 7.94155 numMergedOcc 0
74 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 7.84864 6.47376 4.51031 numMergedOcc 0
75 mol 284 unq 0 iso 0 dist 8.77418 4.17196 7.66585 4.45344 7.35866 7.26724 numMergedOcc 0
76 mol 284 unq 1 iso 0 dist 8.77418 4.17196 7.66585 5.88217 7.32482 5.44847 numMergedOcc 0
77 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 numMergedOcc 0
78 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 numMergedOcc 0
79 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 numMergedOcc 0
80 mol 294 unq 0 iso 0 dist 5.71656 8.43044 9.22572 5.57606 8.52208 4.40208 numMergedOcc 0
