0 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 8.53529 11.4716 5.65816 12.4076 17.5554 6.82379 7.03958 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 8.53529 11.4716 5.65816 9.22548 16.3913 6.24978 9.77703 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.33604 7.3915 11.705 8.53529 11.4716 5.65816 7.96511 16.2553 9.66439 12.013 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.87449 7.032 6.93413 8.64915 10.9409 4.58685 5.06358 12.9221 7.9944 6.55811 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.87449 7.032 6.93413 8.17347 8.50857 5.83039 5.06358 12.9221 7.9944 7.36018 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 9.87449 7.032 6.93413 7.83133 6.89307 9.193 5.06358 12.9221 7.9944 10.2602 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 7.75618 6.2337 13.9675 10.8007 19.07 7.48847 15.4288 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.78293 6.92532 15.1136 7.75618 6.2337 13.9675 5.03957 12.6444 6.36455 12.3215 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.23643 6.92532 6.87842 7.75618 14.4867 13.9675 10.8007 14.2119 7.48847 15.4288 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 8.23643 6.92532 6.87842 7.75618 14.4867 13.9675 5.03957 8.73972 6.36455 12.3215 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 7.82528 6.92532 6.34272 7.75618 11.4087 13.9675 10.8007 6.00439 7.48847 15.4288 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 7.82528 6.92532 6.34272 7.75618 11.4087 13.9675 5.03957 10.2708 6.36455 12.3215 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 7.685 5.81959 9.96732 8.6653 12.9735 6.61233 10.6808 16.7035 6.90155 7.92503 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 7.13087 5.16364 5.69513 6.02816 6.93907 9.03289 8.07446 13.6145 8.85586 12.4089 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 7.80523 6.89298 10.8469 4.98336 9.20981 7.55384 12.2341 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.91348 9.29384 6.01893 8.70296 9.93183 10.8127 13.2572 14.1661 9.15431 15.7676 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 8.70296 9.93183 10.8127 6.63273 8.6243 6.92648 12.6227 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 9.25558 5.90177 11.2516 13.2572 14.1661 9.15431 18.3571 numMergedOcc 0
18 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 9.25558 5.90177 11.2516 6.63273 8.6243 6.92648 11.586 numMergedOcc 0
19 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 8.70296 16.5048 10.8127 13.2572 20.4785 9.15431 15.7676 numMergedOcc 0
20 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 8.70296 16.5048 10.8127 6.63273 12.9472 6.92648 12.6227 numMergedOcc 0
21 mol 131 unq 6 iso 0 dist 9.51418 9.29384 15.1974 9.25558 5.70899 11.2516 13.2572 20.4785 9.15431 18.3571 numMergedOcc 0
22 mol 131 unq 7 iso 0 dist 9.51418 9.29384 15.1974 9.25558 5.70899 11.2516 6.63273 12.9472 6.92648 11.586 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 8.90963 4.43678 13.0913 10.1912 14.4632 7.20392 18.0578 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 8.90963 6.03415 13.0913 10.1912 15.4777 7.20392 18.0578 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.65535 10.7231 5.92931 8.0179 11.6993 8.12346 12.0009 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 8.65535 10.7231 5.92931 14.6506 11.9484 8.83356 12.645 numMergedOcc 0
27 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 8.65535 10.7231 5.92931 8.48054 8.38695 8.2654 13.9101 numMergedOcc 0
28 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 8.29382 4.79043 12.361 14.6506 12.1599 6.26839 16.3687 numMergedOcc 0
29 mol 194 unq 4 iso 0 dist 5.48258 8.83356 7.69247 8.29382 4.79043 12.361 13.5632 13.8412 8.12346 18.4977 numMergedOcc 0
30 mol 194 unq 5 iso 0 dist 5.48258 8.83356 7.69247 8.29382 4.79043 12.361 11.6097 10.3975 8.2654 14.3769 numMergedOcc 0
31 mol 194 unq 6 iso 0 dist 5.48258 8.83356 7.69247 6.72379 4.26755 7.50057 14.6506 12.1599 6.26839 12.4952 numMergedOcc 0
32 mol 194 unq 7 iso 0 dist 5.48258 8.83356 7.69247 6.72379 4.26755 7.50057 13.5632 13.8412 8.12346 15.1649 numMergedOcc 0
33 mol 194 unq 8 iso 0 dist 5.48258 8.83356 7.69247 6.72379 4.26755 7.50057 11.6097 10.3975 8.2654 13.2138 numMergedOcc 0
34 mol 194 unq 9 iso 0 dist 6.15769 8.83356 13.9521 8.29382 6.56076 12.361 14.6506 18.923 6.26839 16.3687 numMergedOcc 0
35 mol 194 unq 10 iso 0 dist 6.15769 8.83356 13.9521 8.29382 6.56076 12.361 13.5632 18.1875 8.12346 18.4977 numMergedOcc 0
36 mol 194 unq 11 iso 0 dist 6.15769 8.83356 13.9521 8.29382 6.56076 12.361 11.6097 14.4527 8.2654 14.3769 numMergedOcc 0
37 mol 194 unq 12 iso 0 dist 6.15769 8.83356 13.9521 6.72379 10.0315 7.50057 14.6506 18.923 6.26839 12.4952 numMergedOcc 0
38 mol 194 unq 13 iso 0 dist 6.15769 8.83356 13.9521 6.72379 10.0315 7.50057 13.5632 18.1875 8.12346 15.1649 numMergedOcc 0
39 mol 194 unq 14 iso 0 dist 6.15769 8.83356 13.9521 6.72379 10.0315 7.50057 11.6097 14.4527 8.2654 13.2138 numMergedOcc 0
40 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 9.26504 4.4994 6.0634 10.7531 9.36654 6.60567 7.36683 numMergedOcc 0
41 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 9.26504 5.99784 6.0634 10.7531 11.955 6.60567 7.36683 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 9.81425 13.0631 9.68666 8.59858 14.5666 7.56091 13.5134 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 6.25105 8.24186 13.0974 9.81425 13.0631 9.68666 5.88703 7.85175 7.5366 13.293 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.29858 7.32982 6.48619 9.24557 10.3809 4.77308 10.0191 12.5477 6.66971 7.57812 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 9.24557 10.3809 4.77308 10.1648 9.68513 6.4398 10.1217 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 7.57812 10.3147 4.77308 5.40359 5.9216 6.4398 10.1217 numMergedOcc 0
47 mol 238 unq 3 iso 0 dist 9.90142 6.66971 5.8333 7.57812 10.3147 4.77308 10.0191 10.7386 7.32982 9.24557 numMergedOcc 0
48 mol 238 unq 4 iso 0 dist 9.90142 6.66971 5.8333 8.69104 15.6823 10.2777 5.40359 5.9216 6.4398 13.492 numMergedOcc 0
49 mol 238 unq 5 iso 0 dist 9.90142 6.66971 5.8333 8.69104 15.6823 10.2777 10.0191 10.7386 7.32982 12.9364 numMergedOcc 0
50 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 6.68687 9.66581 15.5587 4.28414 7.03489 8.44909 10.5594 numMergedOcc 0
51 mol 240 unq 1 iso 0 dist 8.0951 9.47583 12.9871 6.68687 7.03039 15.5587 4.28414 12.1358 8.44909 10.5594 numMergedOcc 0
