0 mol 4 unq 0 iso 0 dist 6.04705 8.97732 8.24634 11.2903 6.29581 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.04705 12.7591 9.16617 11.2903 6.29581 6.42755 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22892 15.5737 9.68596 10.9229 5.03847 6.14469 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.83658 4.91115 6.02702 9.89388 6.55304 6.14469 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 6.22805 13.6771 8.72114 12.0954 6.34041 6.14469 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 9.4523 14.5187 8.64915 14.1991 4.98827 7.35972 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 9.4523 10.6489 8.17347 14.1991 4.98827 9.93542 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 6.40513 4.54105 5.96346 11.8254 10.7734 7.98326 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 6.40513 4.54105 5.96346 11.7169 9.62262 7.46578 numMergedOcc 0
9 mol 11 unq 2 iso 0 dist 6.97875 4.69415 6.35398 12.0426 10.9183 7.98326 numMergedOcc 0
10 mol 11 unq 3 iso 0 dist 6.97875 4.69415 6.35398 12.285 9.99434 7.90478 numMergedOcc 0
11 mol 17 unq 0 iso 0 dist 6.53817 10.8117 9.78331 9.78918 5.67637 7.25951 numMergedOcc 0
12 mol 17 unq 1 iso 0 dist 6.53817 10.8117 9.78331 6.80314 4.03817 7.92012 numMergedOcc 0
13 mol 19 unq 0 iso 0 dist 8.18518 10.5195 6.41575 12.8718 9.74255 9.95212 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.85331 10.7574 7.33768 13.4332 6.66749 8.00171 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 6.85331 15.2995 9.01567 13.4332 6.66749 4.2121 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 6.85331 12.8157 7.29868 13.4332 6.66749 6.72323 numMergedOcc 0
17 mol 24 unq 3 iso 0 dist 6.35095 10.9987 6.73939 10.3893 6.56748 5.95834 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 6.35095 10.9987 6.73939 10.2645 4.50066 4.2121 numMergedOcc 0
19 mol 24 unq 5 iso 0 dist 6.35095 10.9987 6.73939 17.8421 11.9112 8.00171 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 6.35095 10.9987 6.73939 9.89331 5.11617 6.72323 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 8.23292 14.4951 7.45383 11.6867 5.77929 6.25843 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 8.23292 6.39668 9.01548 11.6867 5.77929 8.88938 numMergedOcc 0
23 mol 91 unq 0 iso 0 dist 8.30169 6.11478 5.73743 14.0029 10.1024 8.66165 numMergedOcc 0
24 mol 91 unq 1 iso 0 dist 8.91983 6.42704 5.73743 10.7696 10.1024 8.66165 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 8.20865 9.83193 7.5242 7.98039 10.4027 7.14031 numMergedOcc 0
26 mol 102 unq 0 iso 0 dist 9.0361 13.32 8.31932 9.2062 4.48396 8.88394 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.97208 15.4716 7.80532 10.8422 5.71679 6.40575 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 6.01711 6.4423 9.61462 6.4751 11.5561 5.25109 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 6.01711 6.4423 9.61462 5.75085 10.844 8.21618 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.63295 14.1039 5.9176 14.0071 6.29863 7.22883 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 7.47238 15.5413 9.05071 9.78197 4.9377 9.8664 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.89538 16.6173 8.67864 14.1787 7.95232 5.92374 numMergedOcc 0
33 mol 271 unq 0 iso 0 dist 8.32351 6.38496 8.98576 5.75889 5.53238 5.92274 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 6.54753 7.10817 8.83865 12.7295 12.0136 7.16346 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.81087 13.6675 7.46394 19.3936 11.1602 7.75216 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 9.79674 7.28382 8.91672 11.2878 5.58338 7.75216 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 8.40961 5.87081 9.76787 9.38952 6.19336 6.73712 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 9.42213 11.8683 9.76787 12.9106 6.19336 6.73712 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 7.34344 6.50962 6.78191 4.87349 4.50325 7.34931 numMergedOcc 0
