0 mol 24 unq 0 iso 0 dist 9.97806 6.77987 3.9893 7.63824 7.33787 7.63404 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.32779 6.77987 5.15319 7.63824 5.43498 7.63404 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 9.95208 6.53592 9.07283 3.42062 4.48872 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 8.58008 9.07954 4.48708 6.64146 8.2204 5.70395 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.84323 8.09973 5.90259 6.58981 4.29679 3.73834 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 7.24768 8.09973 6.38075 6.58981 8.07308 3.73834 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 8.51622 8.09973 10.3714 6.58981 10.3525 3.73834 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.22609 8.53833 3.79852 9.56838 13.469 10.1907 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.52742 6.24296 8.175 8.15861 7.14242 3.65186 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.52742 6.24296 8.175 9.27814 15.6495 14.6387 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 7.52742 6.83218 9.3414 8.15861 7.14242 7.00044 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 7.52742 6.83218 9.3414 9.27814 15.6495 15.2529 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 8.42914 6.64714 8.88262 7.09177 6.21311 9.60912 numMergedOcc 0
13 mol 91 unq 1 iso 0 dist 8.17327 6.64714 11.1951 7.09177 7.17072 9.60912 numMergedOcc 0
14 mol 91 unq 2 iso 0 dist 9.52936 6.64714 10.5022 7.09177 10.0233 9.60912 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 5.27541 9.43355 8.99253 8.61597 13.113 13.6138 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 5.27541 5.64141 3.78587 8.61597 13.113 12.3588 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 5.27541 5.46186 10.5386 8.61597 13.113 4.98621 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 6.4081 8.0675 9.97278 9.98215 5.47525 15.2673 numMergedOcc 0
19 mol 116 unq 0 iso 0 dist 8.56629 6.99944 9.33056 7.65919 4.31929 6.48852 numMergedOcc 0
20 mol 116 unq 1 iso 0 dist 8.56629 6.99944 9.33056 8.55413 11.987 3.43966 numMergedOcc 0
21 mol 116 unq 2 iso 0 dist 7.56091 6.99944 4.01797 7.65919 3.39035 6.48852 numMergedOcc 0
22 mol 116 unq 3 iso 0 dist 7.56091 6.99944 4.01797 8.55413 6.88393 3.43966 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.64578 6.58055 6.34948 7.45508 9.1722 3.13463 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 9.64578 6.58055 6.34948 5.79883 11.457 11.0087 numMergedOcc 0
25 mol 239 unq 2 iso 0 dist 7.02833 6.58055 9.42722 7.45508 11.2097 3.13463 numMergedOcc 0
26 mol 239 unq 3 iso 0 dist 7.02833 6.58055 9.42722 5.79883 6.10489 11.0087 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.74822 8.106 9.46362 7.17276 9.8348 3.12129 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.06731 9.98518 11.2805 8.15636 6.00938 16.9188 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 5.06731 9.98518 11.2805 7.86292 4.88961 12.935 numMergedOcc 0
30 mol 287 unq 2 iso 0 dist 5.06731 7.51385 6.60353 6.05363 3.76412 7.98095 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 5.06731 9.98518 11.2805 8.15636 6.00938 16.9188 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 5.06731 9.98518 11.2805 7.86292 4.88961 12.935 numMergedOcc 0
33 mol 288 unq 2 iso 0 dist 5.06731 7.51385 6.60353 6.05363 3.76412 7.98095 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 5.06731 9.98518 11.2805 8.15636 6.00938 16.9188 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 5.06731 9.98518 11.2805 7.86292 4.88961 12.935 numMergedOcc 0
36 mol 289 unq 2 iso 0 dist 5.06731 7.51385 6.60353 6.05363 3.76412 7.98095 numMergedOcc 0
