0 mol 6 unq 0 iso 0 dist 9.38351 13.9523 6.36157 16.6659 8.15992 5.27713 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 4.66983 9.31461 3.84732 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 3.93232 6.53195 7.85245 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 3.93232 6.53195 11.1555 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.05728 9.57046 9.40644 11.3291 7.99434 3.85292 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.05728 4.91237 5.35252 11.3291 7.99434 6.44604 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.65672 14.3275 9.11512 10.6356 7.61377 3.90956 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 14.4144 7.85738 12.6017 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 12.5904 6.65972 4.13187 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 8.01516 15.8477 8.64686 7.80434 4.2253 9.13196 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.22651 12.1115 8.03869 10.0473 9.51771 10.5011 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 5.32892 7.26176 8.03869 7.08749 9.51771 10.5011 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 11.2407 8.50362 5.3096 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.58529 9.64136 11.1718 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 3.54691 4.4077 6.61102 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 5.56761 8.4874 9.0678 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.96416 5.9683 5.79195 8.87194 9.35049 4.63862 numMergedOcc 0
17 mol 165 unq 0 iso 0 dist 9.8446 4.08841 6.85551 3.36546 9.98689 6.21834 numMergedOcc 0
18 mol 165 unq 1 iso 0 dist 9.8446 4.08841 6.85551 14.9166 5.93144 11.5982 numMergedOcc 0
19 mol 174 unq 0 iso 0 dist 4.77805 5.75017 7.27146 7.70204 8.46317 5.30081 numMergedOcc 0
20 mol 174 unq 1 iso 0 dist 4.77805 6.92858 6.25798 7.70204 8.46317 5.41946 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.31333 4.43567 9.2254 12.2056 8.99777 14.1651 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.70184 5.03588 3.9335 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 9.70184 5.03588 10.9472 numMergedOcc 0
24 mol 192 unq 2 iso 0 dist 8.86627 4.97164 9.17137 9.70184 5.03588 10.6087 numMergedOcc 0
25 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 8.12818 5.03588 3.9335 numMergedOcc 0
26 mol 192 unq 4 iso 0 dist 9.10569 8.1874 9.80122 8.12818 5.03588 10.9472 numMergedOcc 0
27 mol 192 unq 5 iso 0 dist 9.10569 4.87986 9.17137 8.12818 5.03588 10.6087 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 16.6893 8.77524 6.42785 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 8.40718 12.8445 8.41232 16.6893 8.77524 7.66776 numMergedOcc 0
30 mol 211 unq 0 iso 0 dist 9.26542 9.86881 5.6998 6.3032 5.49212 3.65651 numMergedOcc 0
31 mol 211 unq 1 iso 0 dist 9.26542 9.86881 5.6998 6.17106 9.79135 6.99357 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 11.337 7.78392 12.4933 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 6.22332 4.95393 7.65121 7.99586 7.78392 12.4933 numMergedOcc 0
34 mol 244 unq 0 iso 0 dist 9.53211 11.4783 7.43391 3.29359 9.3491 9.14405 numMergedOcc 0
35 mol 244 unq 1 iso 0 dist 9.53211 4.30655 7.79787 3.29359 9.3491 6.88123 numMergedOcc 0
36 mol 246 unq 0 iso 0 dist 9.22642 4.72541 8.16617 6.04606 9.03834 4.48822 numMergedOcc 0
37 mol 246 unq 1 iso 0 dist 7.63397 6.06278 8.16617 8.86898 9.03834 4.48822 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.46746 3.74614 9.48772 3.78294 9.48672 4.65265 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 9.46746 10.7968 5.53369 3.78294 9.48672 9.41237 numMergedOcc 0
40 mol 258 unq 2 iso 0 dist 9.46746 12.9568 8.57274 3.78294 9.48672 13.3588 numMergedOcc 0
41 mol 258 unq 3 iso 0 dist 7.31698 6.89961 9.48772 5.23608 9.48672 4.65265 numMergedOcc 0
42 mol 258 unq 4 iso 0 dist 7.31698 4.91726 5.53369 5.23608 9.48672 9.41237 numMergedOcc 0
43 mol 258 unq 5 iso 0 dist 7.31698 10.693 8.57274 5.23608 9.48672 13.3588 numMergedOcc 0
44 mol 268 unq 0 iso 0 dist 8.43164 6.35006 5.94741 3.43113 7.40323 6.07203 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 14.1095 8.13393 8.94124 numMergedOcc 0
46 mol 273 unq 1 iso 0 dist 9.80002 10.5975 7.6489 14.1095 8.13393 7.92723 numMergedOcc 0
47 mol 273 unq 2 iso 0 dist 6.73794 3.92089 5.78262 10.5232 8.13393 8.94124 numMergedOcc 0
48 mol 273 unq 3 iso 0 dist 6.73794 12.0094 7.6489 10.5232 8.13393 7.92723 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 7.72539 8.67957 4.66969 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 7.31817 4.1545 9.21484 numMergedOcc 0
51 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 3.91224 4.25172 10.3506 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 10.5503 9.98182 5.04826 numMergedOcc 0
53 mol 283 unq 0 iso 0 dist 8.89292 4.02114 9.28067 6.39025 5.38739 8.09099 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 10.1123 7.08681 11.2722 numMergedOcc 0
55 mol 285 unq 1 iso 0 dist 5.76796 11.2606 7.872 7.01472 4.95596 9.22192 numMergedOcc 0
56 mol 285 unq 2 iso 0 dist 5.76796 11.2606 7.872 11.0045 6.3508 8.37376 numMergedOcc 0
57 mol 285 unq 3 iso 0 dist 5.76796 11.2606 7.872 8.2602 8.3005 6.76283 numMergedOcc 0
58 mol 285 unq 4 iso 0 dist 5.76796 8.7778 6.32984 10.1123 7.08681 3.57803 numMergedOcc 0
59 mol 285 unq 5 iso 0 dist 5.76796 8.7778 6.32984 7.01472 4.95596 11.1099 numMergedOcc 0
60 mol 285 unq 6 iso 0 dist 5.76796 8.7778 6.32984 11.0045 6.3508 11.5761 numMergedOcc 0
61 mol 285 unq 7 iso 0 dist 5.76796 8.7778 6.32984 8.2602 8.3005 11.5053 numMergedOcc 0
62 mol 286 unq 0 iso 0 dist 8.97304 5.95493 6.83763 6.60143 8.08382 5.76615 numMergedOcc 0
63 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 numMergedOcc 0
64 mol 287 unq 1 iso 0 dist 6.76192 8.37461 6.96774 11.7613 9.31611 5.03775 numMergedOcc 0
65 mol 287 unq 2 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 numMergedOcc 0
67 mol 288 unq 1 iso 0 dist 6.76192 8.37461 6.96774 11.7613 9.31611 5.03775 numMergedOcc 0
68 mol 288 unq 2 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 numMergedOcc 0
69 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 numMergedOcc 0
70 mol 289 unq 1 iso 0 dist 6.76192 8.37461 6.96774 11.7613 9.31611 5.03775 numMergedOcc 0
71 mol 289 unq 2 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 numMergedOcc 0
72 mol 293 unq 0 iso 0 dist 4.66962 4.13058 6.52889 5.93756 6.52792 4.57721 numMergedOcc 0
73 mol 294 unq 0 iso 0 dist 5.71656 8.43044 9.22572 3.83842 8.32582 7.55679 numMergedOcc 0
