0 mol 0 unq 0 iso 0 dist 8.38106 8.95969 9.92758 6.64852 6.8892 5.567 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 5.61393 9.92758 6.26414 6.8892 5.567 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 5.14917 9.41864 8.4435 9.57274 8.88048 14.5678 numMergedOcc 0
3 mol 6 unq 0 iso 0 dist 9.38351 16.4452 7.27315 13.9523 6.36157 5.35442 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.68091 7.36439 6.84065 4.04843 8.68949 11.103 numMergedOcc 0
5 mol 10 unq 0 iso 0 dist 9.1125 11.8187 9.5819 4.55975 8.03458 7.48812 numMergedOcc 0
6 mol 10 unq 1 iso 0 dist 9.1125 11.8187 9.5819 11.8229 8.2106 12.5421 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 7.5203 3.905 9.78608 6.20447 8.68012 6.79993 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.37819 5.99356 9.86635 12.1737 8.15664 13.9896 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 9.22651 7.92108 4.84683 12.1115 8.03869 6.15356 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 5.32892 4.51114 4.84683 7.26176 8.03869 6.15356 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 7.52954 7.90311 7.2533 6.38538 8.078 10.1932 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 7.52954 7.90311 7.2533 6.78021 6.56481 7.61507 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.34752 14.7053 7.94271 10.0813 5.2184 4.64183 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.34752 16.1019 9.89093 10.0813 5.2184 7.46309 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.41858 3.76469 7.94271 4.62337 5.2184 4.64183 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.41858 8.93307 9.89093 4.62337 5.2184 7.46309 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 5.01269 10.8724 8.33117 6.65104 9.23104 16.9513 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.9962 7.55155 9.31413 5.9683 8.76088 13.4109 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 8.61448 10.3667 9.31413 13.8877 8.76088 13.4109 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 4.77805 6.26669 7.22982 5.75017 7.27146 10.6939 numMergedOcc 0
21 mol 174 unq 1 iso 0 dist 4.77805 6.26669 7.22982 6.92858 6.25798 5.05821 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.31333 9.85164 8.79089 4.43567 9.2254 10.311 numMergedOcc 0
23 mol 211 unq 0 iso 0 dist 9.26542 12.6119 9.49714 9.86881 5.6998 9.23869 numMergedOcc 0
24 mol 211 unq 1 iso 0 dist 9.26542 13.9661 7.83543 9.86881 5.6998 4.61551 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 7.47852 10.7954 9.10325 5.9027 7.65121 7.16132 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 6.22332 5.60637 9.10325 4.95393 7.65121 7.16132 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 5.43868 11.1655 9.83369 9.96947 8.51703 8.77283 numMergedOcc 0
28 mol 250 unq 1 iso 0 dist 9.80833 15.3004 9.31494 9.96947 5.07895 5.55347 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.46746 5.37406 9.97041 3.74614 9.48772 5.15847 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 9.46746 5.37406 9.97041 10.7968 5.53369 11.6915 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 9.46746 5.37406 9.97041 12.9568 8.57274 10.6916 numMergedOcc 0
32 mol 258 unq 3 iso 0 dist 9.46746 13.1092 9.29827 3.74614 9.48772 12.0276 numMergedOcc 0
33 mol 258 unq 4 iso 0 dist 9.46746 13.1092 9.29827 10.7968 5.53369 5.59973 numMergedOcc 0
34 mol 258 unq 5 iso 0 dist 9.46746 13.1092 9.29827 12.9568 8.57274 12.3641 numMergedOcc 0
35 mol 258 unq 6 iso 0 dist 7.31698 10.9424 9.97041 6.89961 9.48772 5.15847 numMergedOcc 0
36 mol 258 unq 7 iso 0 dist 7.31698 10.9424 9.97041 4.91726 5.53369 11.6915 numMergedOcc 0
37 mol 258 unq 8 iso 0 dist 7.31698 10.9424 9.97041 10.693 8.57274 10.6916 numMergedOcc 0
38 mol 258 unq 9 iso 0 dist 7.31698 5.26898 9.29827 6.89961 9.48772 12.0276 numMergedOcc 0
39 mol 258 unq 10 iso 0 dist 7.31698 5.26898 9.29827 4.91726 5.53369 5.59973 numMergedOcc 0
40 mol 258 unq 11 iso 0 dist 7.31698 5.26898 9.29827 10.693 8.57274 12.3641 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 9.81689 7.40176 9.35563 10.531 7.52632 5.34511 numMergedOcc 0
42 mol 268 unq 0 iso 0 dist 8.43164 5.07611 7.78717 6.35006 5.94741 6.12497 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 6.28023 7.64336 8.04439 5.02003 9.34051 10.6577 numMergedOcc 0
44 mol 286 unq 0 iso 0 dist 8.97304 11.0772 9.92773 5.95493 6.83763 5.77173 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 6.72 5.08197 8.85814 3.74041 7.65009 3.695 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 6.72 3.63328 6.79581 3.74041 7.65009 5.68269 numMergedOcc 0
47 mol 287 unq 2 iso 0 dist 7.47179 9.43796 8.50964 6.53276 6.45597 8.76547 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 6.72 5.08197 8.85814 3.74041 7.65009 3.695 numMergedOcc 0
49 mol 288 unq 1 iso 0 dist 6.72 3.63328 6.79581 3.74041 7.65009 5.68269 numMergedOcc 0
50 mol 288 unq 2 iso 0 dist 7.47179 9.43796 8.50964 6.53276 6.45597 8.76547 numMergedOcc 0
51 mol 289 unq 0 iso 0 dist 6.72 5.08197 8.85814 3.74041 7.65009 3.695 numMergedOcc 0
52 mol 289 unq 1 iso 0 dist 6.72 3.63328 6.79581 3.74041 7.65009 5.68269 numMergedOcc 0
53 mol 289 unq 2 iso 0 dist 7.47179 9.43796 8.50964 6.53276 6.45597 8.76547 numMergedOcc 0
