0 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 10.5813 6.45462 8.93915 5.89973 12.8366 5.41726 6.75943 4.96926 10.0383 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 10.5813 6.45462 8.93915 12.7352 5.06502 5.73819 5.89973 12.8366 5.41726 6.75943 10.0383 4.96926 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 12.0919 6.45462 6.20293 5.06502 15.6164 10.0383 6.75943 4.96926 5.41726 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 12.0317 5.89973 5.73819 5.06502 15.6164 10.0383 6.75943 5.41726 4.96926 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.8693 15.7123 9.38498 10.5158 12.016 9.75218 13.7412 12.8474 5.70116 9.73086 17.4121 14.844 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 7.23812 12.8453 9.96396 10.5158 12.016 9.75218 14.8693 15.7123 9.38498 13.7412 12.8474 5.70116 9.73086 14.844 17.4121 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.565 13.8105 8.83255 6.59319 22.8432 15.6249 8.27883 4.99174 8.67311 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 25.1398 16.6055 9.03572 6.59319 22.8432 15.6249 8.27883 8.67311 4.99174 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.565 13.8105 8.83255 6.59319 21.3539 12.4896 5.75428 4.46005 3.94293 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 25.1398 16.6055 9.03572 6.59319 21.3539 12.4896 5.75428 3.94293 4.46005 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.565 13.8105 8.83255 6.59319 23.6493 14.2178 8.57395 8.28518 9.22202 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 25.1398 16.6055 9.03572 6.59319 23.6493 14.2178 8.57395 9.22202 8.28518 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 22.565 13.8105 8.83255 6.59319 17.3737 8.78079 9.85409 15.917 13.7484 numMergedOcc 0
13 mol 95 unq 3 iso 1 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 25.1398 16.6055 9.03572 6.59319 17.3737 8.78079 9.85409 13.7484 15.917 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 15.6365 10.1407 8.86688 9.71151 13.6554 5.9143 7.82475 5.43561 5.25234 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 14.2807 5.33144 6.45675 9.71151 13.6554 5.9143 7.82475 5.25234 5.43561 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 15.6365 10.1407 8.86688 9.71151 11.5608 5.47563 5.35782 6.30222 5.03232 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 14.2807 5.33144 6.45675 9.71151 11.5608 5.47563 5.35782 5.03232 6.30222 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 12.4685 8.02349 7.88312 11.5723 7.84768 4.48636 7.69765 10.3209 11.835 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 9.26923 10.8507 7.30858 11.5723 7.84768 4.48636 7.69765 11.835 10.3209 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 12.4685 8.02349 7.88312 11.5723 12.5457 6.63111 9.42082 15.3161 6.07067 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 9.26923 10.8507 7.30858 11.5723 12.5457 6.63111 9.42082 6.07067 15.3161 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 15.4305 7.81217 6.80239 16.5229 11.965 8.00618 7.79672 11.716 13.0405 8.77023 13.7612 15.0115 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 15.4305 7.81217 6.80239 7.79672 11.716 13.0405 8.77023 15.0115 13.7612 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 13.9771 7.79672 6.80239 7.81217 10.3522 15.0115 8.77023 13.0405 13.7612 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 9.47554 9.67676 8.00618 13.9771 7.79672 6.80239 15.8406 11.965 6.29155 7.81217 10.3522 15.0115 8.77023 13.7612 13.0405 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 11.3169 5.00817 6.37586 5.49782 15.2447 12.3479 9.33094 7.41373 10.8635 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 15.1513 8.80819 8.94367 5.49782 15.2447 12.3479 9.33094 10.8635 7.41373 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 11.0053 8.80819 6.49416 5.00817 14.33 7.41373 9.33094 10.8635 12.3479 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 6.48328 5.49782 6.37586 5.00817 14.33 7.41373 9.33094 12.3479 10.8635 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 11.0053 5.00817 6.49416 8.80819 14.33 10.8635 9.33094 7.41373 12.3479 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 9.16358 5.49782 8.94367 8.80819 14.33 10.8635 9.33094 12.3479 7.41373 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.7313 5.42328 5.87555 12.3711 6.4896 8.67331 5.54906 12.9285 5.39112 6.70693 4.94983 9.67475 numMergedOcc 0
33 mol 152 unq 0 iso 1 dist 8.41774 13.793 6.70283 12.3711 6.4896 8.67331 13.7313 5.42328 5.87555 5.54906 12.9285 5.39112 6.70693 9.67475 4.94983 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 12.4766 13.8543 7.80463 8.18714 10.4944 13.514 6.52816 9.49403 3.56269 numMergedOcc 0
35 mol 205 unq 0 iso 1 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 9.80543 7.38516 6.03031 8.18714 10.4944 13.514 6.52816 3.56269 9.49403 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.80858 11.8641 9.16166 10.8126 5.0744 5.78342 13.3427 6.91102 5.81334 5.60236 10.0366 5.76843 6.8692 7.05804 4.54188 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 8.80858 11.8641 9.16166 13.3427 6.91102 5.81334 10.8126 5.0744 5.78342 5.60236 10.0366 5.76843 6.8692 4.54188 7.05804 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 10.4172 5.79505 9.81562 14.1598 11.3368 6.27581 9.90963 11.3386 4.89609 9.3206 4.27181 10.5774 numMergedOcc 0
39 mol 236 unq 0 iso 1 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 10.4172 5.79505 9.81562 9.90963 11.3386 4.89609 9.3206 10.5774 4.27181 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 11.8908 9.90963 9.81562 12.0498 11.3368 7.68742 5.79505 10.2767 10.5774 9.3206 4.27181 4.89609 numMergedOcc 0
41 mol 236 unq 1 iso 1 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 11.8908 9.90963 9.81562 5.79505 10.2767 10.5774 9.3206 4.89609 4.27181 numMergedOcc 0
