0 mol 54 unq 0 iso 0 dist 9.90537 6.13818 5.01162 12.2366 6.59893 9.88291 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.90537 6.13818 5.01162 5.01578 9.06005 4.07894 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.6585 13.2331 9.60995 11.6619 6.80741 4.61096 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.79531 6.08048 9.60995 6.39417 6.80741 4.61096 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.19647 5.92597 9.82315 10.5573 5.92705 7.49081 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.15823 4.42733 6.97361 9.52583 7.88564 5.89399 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.63401 10.0068 6.97361 11.4398 7.88564 5.89399 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 5.58941 4.58154 5.5199 5.81947 8.77773 4.50603 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 6.00241 7.35103 8.07962 13.0204 9.01767 8.58092 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 6.00241 4.11174 7.58908 13.0204 9.01767 12.5781 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.41492 4.72156 7.66832 13.2932 8.21889 9.47324 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.41492 4.72156 7.66832 9.64513 9.74643 4.93112 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 8.41492 4.72156 7.66832 6.4683 6.86702 4.48038 numMergedOcc 0
13 mol 109 unq 3 iso 0 dist 8.41492 3.90222 8.11083 13.2932 8.21889 12.7688 numMergedOcc 0
14 mol 109 unq 4 iso 0 dist 8.41492 3.90222 8.11083 9.64513 9.74643 10.5733 numMergedOcc 0
15 mol 109 unq 5 iso 0 dist 8.41492 3.90222 8.11083 6.4683 6.86702 4.76017 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 5.98822 4.36058 6.81489 7.16387 7.70533 10.0087 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 5.74521 4.62381 5.28955 7.79117 9.93703 10.7421 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 9.79589 4.9142 9.12964 4.35345 8.91606 5.91353 numMergedOcc 0
19 mol 120 unq 1 iso 0 dist 9.66306 3.55317 9.12964 9.19433 8.91606 5.91353 numMergedOcc 0
20 mol 120 unq 2 iso 0 dist 8.84182 4.53716 9.12964 6.08069 8.91606 5.91353 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 6.00571 13.0354 8.88979 13.0804 8.40046 6.09267 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.93408 11.2108 6.00651 10.0238 9.84695 10.4619 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 8.93408 11.2108 6.00651 10.7949 9.18866 6.91778 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 6.05795 6.29318 8.74076 4.66984 9.54235 9.31615 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.38809 4.69185 6.11539 9.36045 8.68464 5.70808 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 7.38809 12.5532 9.71082 9.36045 8.68464 4.86949 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 6.05991 11.0483 9.36753 6.48163 5.89084 12.0816 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 6.05991 11.0483 9.36753 10.6392 8.47009 6.94762 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 9.77089 6.46221 8.43067 5.22536 4.97263 4.37426 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 9.77089 6.46221 8.43067 10.3792 5.36776 5.8531 numMergedOcc 0
31 mol 257 unq 2 iso 0 dist 9.77089 6.85005 7.6127 5.22536 4.97263 5.03065 numMergedOcc 0
32 mol 257 unq 3 iso 0 dist 9.77089 6.85005 7.6127 10.3792 5.36776 5.98419 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.94629 11.4452 9.4886 6.30874 5.81927 11.9201 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.94629 11.4452 9.4886 6.88723 6.09782 8.27707 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 5.11475 10.4615 8.05522 9.59126 9.01085 5.428 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 5.11475 10.4615 8.05522 6.41758 6.28512 4.75604 numMergedOcc 0
37 mol 264 unq 2 iso 0 dist 5.11475 9.34577 9.8799 9.59126 9.01085 11.079 numMergedOcc 0
38 mol 264 unq 3 iso 0 dist 5.11475 9.34577 9.8799 6.41758 6.28512 12.5841 numMergedOcc 0
39 mol 265 unq 0 iso 0 dist 5.98977 4.1118 8.03655 5.26386 8.1498 7.602 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 8.54272 11.9766 8.26851 10.1263 6.00877 4.56913 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 9.43429 11.9766 8.14634 10.1263 8.66451 4.56913 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 6.20852 4.10727 5.27236 6.05371 6.47832 5.57606 numMergedOcc 0
