0 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 12.7352 5.06502 5.73819 10.5523 10.5813 6.45462 8.93915 14.7803 5.89973 12.8366 5.41726 6.75943 6.6263 4.96926 10.0383 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 10.5813 6.45462 8.93915 14.7803 12.7352 5.06502 5.73819 10.5523 5.89973 12.8366 5.41726 6.75943 6.6263 10.0383 4.96926 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 14.8693 15.7123 9.38498 10.2049 10.5158 12.016 9.75218 11.6369 13.7412 12.8474 5.70116 9.73086 7.4369 17.4121 14.844 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 10.5158 12.016 9.75218 11.6369 14.8693 15.7123 9.38498 10.2049 13.7412 12.8474 5.70116 9.73086 7.4369 14.844 17.4121 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 14.8693 15.7123 9.38498 20.257 10.5158 12.016 9.75218 10.1207 13.7412 12.8474 5.70116 9.73086 12.8207 17.4121 14.844 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 10.5158 12.016 9.75218 10.1207 14.8693 15.7123 9.38498 20.257 13.7412 12.8474 5.70116 9.73086 12.8207 14.844 17.4121 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 25.1398 16.6055 9.03572 16.9836 22.565 13.8105 8.83255 16.9811 6.59319 22.8432 15.6249 8.27883 15.6447 4.99174 8.67311 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 25.1398 16.6055 9.03572 16.9836 6.59319 22.8432 15.6249 8.27883 15.6447 8.67311 4.99174 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 25.1398 16.6055 9.03572 16.9836 22.565 13.8105 8.83255 16.9811 6.59319 21.3539 12.4896 5.75428 14.0772 4.46005 3.94293 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 25.1398 16.6055 9.03572 16.9836 6.59319 21.3539 12.4896 5.75428 14.0772 3.94293 4.46005 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 25.1398 16.6055 9.03572 16.9836 22.565 13.8105 8.83255 16.9811 6.59319 23.6493 14.2178 8.57395 14.1515 8.28518 9.22202 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 25.1398 16.6055 9.03572 16.9836 6.59319 23.6493 14.2178 8.57395 14.1515 9.22202 8.28518 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 25.1398 16.6055 9.03572 16.9836 22.565 13.8105 8.83255 16.9811 6.59319 17.3737 8.78079 9.85409 10.3132 15.917 13.7484 numMergedOcc 0
13 mol 95 unq 3 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.565 13.8105 8.83255 16.9811 25.1398 16.6055 9.03572 16.9836 6.59319 17.3737 8.78079 9.85409 10.3132 13.7484 15.917 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 14.2807 5.33144 6.45675 10.1409 15.6365 10.1407 8.86688 14.9102 9.71151 13.6554 5.9143 7.82475 11.9928 5.43561 5.25234 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 15.6365 10.1407 8.86688 14.9102 14.2807 5.33144 6.45675 10.1409 9.71151 13.6554 5.9143 7.82475 11.9928 5.25234 5.43561 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 14.2807 5.33144 6.45675 10.1409 15.6365 10.1407 8.86688 14.9102 9.71151 11.5608 5.47563 5.35782 9.94341 6.30222 5.03232 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 15.6365 10.1407 8.86688 14.9102 14.2807 5.33144 6.45675 10.1409 9.71151 11.5608 5.47563 5.35782 9.94341 5.03232 6.30222 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 14.2807 5.33144 6.45675 11.8665 15.6365 10.1407 8.86688 13.6959 9.71151 13.6554 5.9143 7.82475 10.694 5.43561 5.25234 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 15.6365 10.1407 8.86688 13.6959 14.2807 5.33144 6.45675 11.8665 9.71151 13.6554 5.9143 7.82475 10.694 5.25234 5.43561 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 14.2807 5.33144 6.45675 11.8665 15.6365 10.1407 8.86688 13.6959 9.71151 11.5608 5.47563 5.35782 9.82522 6.30222 5.03232 numMergedOcc 0
21 mol 100 unq 3 iso 1 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 15.6365 10.1407 8.86688 13.6959 14.2807 5.33144 6.45675 11.8665 9.71151 11.5608 5.47563 5.35782 9.82522 5.03232 6.30222 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 14.2807 5.33144 6.45675 13.912 15.6365 10.1407 8.86688 18.2109 9.71151 13.6554 5.9143 7.82475 14.966 5.43561 5.25234 numMergedOcc 0
23 mol 100 unq 4 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 15.6365 10.1407 8.86688 18.2109 14.2807 5.33144 6.45675 13.912 9.71151 13.6554 5.9143 7.82475 14.966 5.25234 5.43561 numMergedOcc 0
24 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 14.2807 5.33144 6.45675 13.912 15.6365 10.1407 8.86688 18.2109 9.71151 11.5608 5.47563 5.35782 13.4844 6.30222 5.03232 numMergedOcc 0
25 mol 100 unq 5 iso 1 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 15.6365 10.1407 8.86688 18.2109 14.2807 5.33144 6.45675 13.912 9.71151 11.5608 5.47563 5.35782 13.4844 5.03232 6.30222 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 9.26923 10.8507 7.30858 13.8473 12.4685 8.02349 7.88312 6.11741 11.5723 7.84768 4.48636 7.69765 13.4105 10.3209 11.835 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.4685 8.02349 7.88312 6.11741 9.26923 10.8507 7.30858 13.8473 11.5723 7.84768 4.48636 7.69765 13.4105 11.835 10.3209 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 9.26923 10.8507 7.30858 13.8473 12.4685 8.02349 7.88312 6.11741 11.5723 12.5457 6.63111 9.42082 6.39384 15.3161 6.07067 numMergedOcc 0
29 mol 115 unq 1 iso 1 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.4685 8.02349 7.88312 6.11741 9.26923 10.8507 7.30858 13.8473 11.5723 12.5457 6.63111 9.42082 6.39384 6.07067 15.3161 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 15.8406 11.965 6.29155 13.268 13.9771 7.79672 6.80239 12.6651 7.81217 10.3522 15.0115 8.77023 12.5855 13.0405 13.7612 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 13.9771 7.79672 6.80239 12.6651 15.8406 11.965 6.29155 13.268 7.81217 10.3522 15.0115 8.77023 12.5855 13.7612 13.0405 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 15.1513 8.80819 8.94367 11.9139 11.3169 5.00817 6.37586 9.5126 5.49782 15.2447 12.3479 9.33094 11.2896 7.41373 10.8635 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 11.3169 5.00817 6.37586 9.5126 15.1513 8.80819 8.94367 11.9139 5.49782 15.2447 12.3479 9.33094 11.2896 10.8635 7.41373 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 6.48328 5.49782 6.37586 9.71307 11.0053 8.80819 6.49416 12.5075 5.00817 14.33 7.41373 9.33094 8.69531 10.8635 12.3479 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 11.0053 8.80819 6.49416 12.5075 6.48328 5.49782 6.37586 9.71307 5.00817 14.33 7.41373 9.33094 8.69531 12.3479 10.8635 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 9.16358 5.49782 8.94367 9.86662 11.0053 5.00817 6.49416 12.5075 8.80819 14.33 10.8635 9.33094 8.69531 7.41373 12.3479 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 11.0053 5.00817 6.49416 12.5075 9.16358 5.49782 8.94367 9.86662 8.80819 14.33 10.8635 9.33094 8.69531 12.3479 7.41373 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 13.7313 5.42328 5.87555 10.399 12.3711 6.4896 8.67331 14.1618 5.54906 12.9285 5.39112 6.70693 6.59889 4.94983 9.67475 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 12.3711 6.4896 8.67331 14.1618 13.7313 5.42328 5.87555 10.399 5.54906 12.9285 5.39112 6.70693 6.59889 9.67475 4.94983 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 13.7313 5.42328 5.87555 8.87437 12.3711 6.4896 8.67331 8.05741 5.54906 12.9285 5.39112 6.70693 10.4895 4.94983 9.67475 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 12.3711 6.4896 8.67331 8.05741 13.7313 5.42328 5.87555 8.87437 5.54906 12.9285 5.39112 6.70693 10.4895 9.67475 4.94983 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 10.8126 5.0744 5.78342 10.103 13.3427 6.91102 5.81334 10.9745 5.60236 10.0366 5.76843 6.8692 6.99769 7.05804 4.54188 numMergedOcc 0
43 mol 224 unq 0 iso 1 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 13.3427 6.91102 5.81334 10.9745 10.8126 5.0744 5.78342 10.103 5.60236 10.0366 5.76843 6.8692 6.99769 4.54188 7.05804 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 10.8126 5.0744 5.78342 6.57273 13.3427 6.91102 5.81334 10.5128 5.60236 10.0366 5.76843 6.8692 8.79428 7.05804 4.54188 numMergedOcc 0
45 mol 224 unq 1 iso 1 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 13.3427 6.91102 5.81334 10.5128 10.8126 5.0744 5.78342 6.57273 5.60236 10.0366 5.76843 6.8692 8.79428 4.54188 7.05804 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 10.4172 5.79505 9.81562 8.03456 14.1598 11.3368 6.27581 9.99038 9.90963 11.3386 4.89609 9.3206 10.1317 4.27181 10.5774 numMergedOcc 0
47 mol 236 unq 0 iso 1 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 14.1598 11.3368 6.27581 9.99038 10.4172 5.79505 9.81562 8.03456 9.90963 11.3386 4.89609 9.3206 10.1317 10.5774 4.27181 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 11.8908 9.90963 9.81562 8.03456 12.0498 11.3368 7.68742 6.84306 5.79505 10.2767 10.5774 9.3206 10.1317 4.27181 4.89609 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 12.0498 11.3368 7.68742 6.84306 11.8908 9.90963 9.81562 8.03456 5.79505 10.2767 10.5774 9.3206 10.1317 4.89609 4.27181 numMergedOcc 0
