0 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 5.19841 4.79838 8.05213 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.40468 9.68915 6.58046 5.11518 5.25331 7.85924 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.64504 7.64353 7.7312 10.26 6.38574 4.69858 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.72377 8.67041 8.91596 4.81351 5.9972 7.93694 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.42742 4.33476 8.27463 9.25422 9.44125 5.67689 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.33788 8.8671 8.89047 5.52962 6.11249 4.84988 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.52681 12.9129 8.89047 10.1477 6.11249 4.84988 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.33736 9.07666 9.23438 6.06895 8.98478 5.92889 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.33736 5.93193 7.17488 6.06895 8.98478 7.05413 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.33736 5.72191 6.79356 6.06895 8.98478 6.61756 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 9.87102 4.33228 9.28702 9.38055 9.51134 6.84152 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.67342 7.96997 7.69926 13.9882 5.61151 10.7963 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.60062 7.96997 5.85237 13.9882 6.54289 10.7963 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.60062 7.96997 5.85237 12.4238 7.52869 4.83769 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.60062 7.96997 5.85237 10.5359 9.18945 6.24888 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 8.60062 14.6422 9.11768 13.9882 6.54289 7.79293 numMergedOcc 0
16 mol 85 unq 5 iso 0 dist 8.60062 14.6422 9.11768 12.4238 7.52869 4.53268 numMergedOcc 0
17 mol 85 unq 6 iso 0 dist 8.60062 14.6422 9.11768 10.5359 9.18945 6.09332 numMergedOcc 0
18 mol 85 unq 7 iso 0 dist 5.73739 9.51195 7.69926 10.1326 5.61151 10.7963 numMergedOcc 0
19 mol 85 unq 8 iso 0 dist 5.16225 9.51195 5.85237 10.1326 6.54289 10.7963 numMergedOcc 0
20 mol 85 unq 9 iso 0 dist 5.16225 9.51195 5.85237 12.2156 7.52869 4.83769 numMergedOcc 0
21 mol 85 unq 10 iso 0 dist 5.16225 9.51195 5.85237 13.9131 9.18945 6.24888 numMergedOcc 0
22 mol 85 unq 11 iso 0 dist 5.16225 14.228 9.11768 10.1326 6.54289 7.79293 numMergedOcc 0
23 mol 85 unq 12 iso 0 dist 5.16225 14.228 9.11768 12.2156 7.52869 4.53268 numMergedOcc 0
24 mol 85 unq 13 iso 0 dist 5.16225 14.228 9.11768 13.9131 9.18945 6.09332 numMergedOcc 0
25 mol 142 unq 0 iso 0 dist 6.81144 9.15453 8.04118 4.76541 5.69323 9.49653 numMergedOcc 0
26 mol 142 unq 1 iso 0 dist 6.81144 9.78965 8.39035 4.76541 5.69323 7.53854 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 6.38786 9.02772 8.99891 6.60792 8.08798 5.44503 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 8.96442 4.79566 7.84952 11.5876 8.5244 7.47048 numMergedOcc 0
29 mol 228 unq 0 iso 0 dist 9.45974 12.8654 9.25785 10.7923 8.29523 4.81881 numMergedOcc 0
30 mol 228 unq 1 iso 0 dist 9.86348 13.0265 9.01231 10.784 8.13557 4.75417 numMergedOcc 0
31 mol 251 unq 0 iso 0 dist 7.90148 10.2078 8.45764 6.05393 9.55854 10.7711 numMergedOcc 0
32 mol 251 unq 1 iso 0 dist 9.49019 8.97986 8.45764 6.41908 9.55854 10.7711 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.07744 10.2486 9.54359 6.20663 9.62597 10.7791 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.07744 7.94155 5.69112 6.20663 9.62597 6.58374 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 8.42892 17.6138 9.54359 14.2261 9.62597 10.7791 numMergedOcc 0
36 mol 277 unq 3 iso 0 dist 8.42892 13.5116 5.69112 14.2261 9.62597 6.58374 numMergedOcc 0
37 mol 277 unq 4 iso 0 dist 8.90967 11.006 9.54359 12.0017 9.62597 10.7791 numMergedOcc 0
38 mol 277 unq 5 iso 0 dist 8.90967 7.72525 5.69112 12.0017 9.62597 6.58374 numMergedOcc 0
39 mol 281 unq 0 iso 0 dist 9.39268 7.85489 5.50053 5.96808 9.94612 6.82073 numMergedOcc 0
40 mol 281 unq 1 iso 0 dist 9.06888 8.21418 5.50053 12.6605 9.94612 6.82073 numMergedOcc 0
