0 mol 15 unq 0 iso 0 dist 6.88546 13.452 7.07399 11.1852 6.23015 5.49251 8.9856 4.29582 8.38064 9.84471 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.36911 6.05535 6.72833 5.37568 5.94982 6.86055 9.04834 6.51133 4.7319 7.65889 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.36911 5.72175 6.93532 5.37568 5.94982 5.01101 8.17898 5.30082 5.05803 6.42835 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 5.36911 5.72175 6.93532 5.37568 5.94982 5.01101 10.6491 10.4366 6.31718 11.0298 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 10.4819 6.61696 10.1698 12.6611 5.11617 5.54419 5.68215 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 10.4819 6.61696 10.1698 18.5238 13.2229 7.36323 17.003 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.3964 14.959 8.4051 5.61248 5.80953 13.6174 12.6611 5.11617 5.54419 10.9113 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.3964 14.959 8.4051 5.61248 5.80953 13.6174 18.5238 13.2229 7.36323 16.707 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.3964 7.79468 7.29868 10.4819 6.61696 8.91183 12.9306 8.52463 6.86014 12.5088 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.3964 7.79468 7.29868 5.61248 5.80953 5.69214 12.9306 8.52463 6.86014 7.95042 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.3964 9.85198 8.60554 10.4819 6.61696 14.8647 12.9306 8.52463 8.86116 12.5088 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.3964 9.85198 8.60554 10.4819 6.61696 14.8647 16.5811 12.3994 8.38394 17.9146 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 8.3964 9.85198 8.60554 5.61248 5.80953 5.11636 12.9306 8.52463 8.86116 7.95042 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 8.3964 9.85198 8.60554 5.61248 5.80953 5.11636 16.5811 12.3994 8.38394 10.9819 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 7.06532 5.75653 8.23446 5.42563 9.33304 5.73029 11.0381 13.1779 5.54419 9.16003 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 7.06532 5.75653 8.23446 5.42563 9.33304 5.73029 5.87895 6.38336 7.36323 10.502 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 7.06532 5.75653 8.23446 6.87351 4.5711 6.28159 11.0381 13.1779 5.54419 10.4135 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 7.06532 5.75653 8.23446 6.87351 4.5711 6.28159 5.87895 6.38336 7.36323 8.87744 numMergedOcc 0
18 mol 24 unq 14 iso 0 dist 7.06532 5.75653 8.23446 7.79018 4.44526 5.50396 11.0381 13.1779 5.54419 9.33482 numMergedOcc 0
19 mol 24 unq 15 iso 0 dist 7.06532 5.75653 8.23446 7.79018 4.44526 5.50396 5.87895 6.38336 7.36323 7.27472 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 8.61491 13.395 6.85556 10.8815 6.29797 5.86705 14.2542 5.68392 6.03987 7.6114 numMergedOcc 0
21 mol 41 unq 0 iso 0 dist 6.07294 8.85978 8.51663 6.02913 6.21128 13.4019 10.0713 8.94326 6.19529 13.8177 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 14.7163 8.96616 6.20232 5.79954 5.11416 9.96396 12.2276 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 6.66506 12.8388 9.24757 14.7163 8.96616 6.20232 10.4766 6.56633 6.19304 8.68662 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 6.66506 12.8388 9.24757 14.7163 8.96616 6.20232 15.4777 15.3808 8.70481 13.8931 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 6.66506 12.8388 9.24757 11.5216 6.14542 5.70116 5.79954 5.11416 9.96396 9.73086 numMergedOcc 0
26 mol 73 unq 4 iso 0 dist 6.66506 12.8388 9.24757 11.5216 6.14542 5.70116 10.4766 6.56633 6.19304 7.4369 numMergedOcc 0
27 mol 73 unq 5 iso 0 dist 6.66506 12.8388 9.24757 11.5216 6.14542 5.70116 15.4777 15.3808 8.70481 12.8207 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 8.08787 5.05893 11.9064 15.5717 9.29301 7.97049 13.3997 numMergedOcc 0
29 mol 85 unq 1 iso 0 dist 9.18097 10.5346 9.82915 8.08787 5.05893 11.9064 17.3382 13.5116 7.47541 15.8175 numMergedOcc 0
30 mol 85 unq 2 iso 0 dist 9.18097 10.5346 9.82915 10.4844 5.71866 14.7521 15.5717 9.29301 7.97049 14.6517 numMergedOcc 0
31 mol 85 unq 3 iso 0 dist 9.18097 10.5346 9.82915 10.4844 5.71866 14.7521 17.3382 13.5116 7.47541 18.2645 numMergedOcc 0
32 mol 85 unq 4 iso 0 dist 8.83135 18.2314 9.82915 11.053 5.05893 11.9064 14.5836 9.29301 7.97049 13.3997 numMergedOcc 0
33 mol 85 unq 5 iso 0 dist 8.83135 18.2314 9.82915 11.053 5.05893 11.9064 20.3056 13.5116 7.47541 15.8175 numMergedOcc 0
34 mol 85 unq 6 iso 0 dist 8.83135 18.2314 9.82915 7.97629 5.71866 14.7521 14.5836 9.29301 7.97049 14.6517 numMergedOcc 0
35 mol 85 unq 7 iso 0 dist 8.83135 18.2314 9.82915 7.97629 5.71866 14.7521 20.3056 13.5116 7.47541 18.2645 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 6.67326 5.81718 6.73586 6.31352 8.67537 4.39676 9.85387 5.13589 6.18601 8.95212 numMergedOcc 0
37 mol 129 unq 0 iso 0 dist 6.48695 5.99695 4.97175 6.57177 9.35533 6.16616 10.482 7.29399 5.83384 11.8464 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 8.82861 9.54287 7.32294 5.99091 9.48625 5.57347 7.7292 5.86489 8.51516 7.9133 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 8.27761 13.7819 9.40808 13.0806 9.9183 5.10213 10.8093 4.9377 8.27212 6.71524 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 9.25162 16.9877 9.05071 12.9179 6.59036 5.42461 14.8591 8.80479 8.27212 10.3021 numMergedOcc 0
