0 mol 11 unq 0 iso 0 dist 5.7435 4.08268 4.30695 4.24301 6.35398 7.0964 9.79134 8.01262 6.03873 12.9584 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.7435 4.24301 6.35398 4.08268 4.30695 7.0964 9.79134 8.01262 12.9584 6.03873 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.7435 4.08268 4.30695 4.24301 6.35398 7.0964 8.98102 6.58046 8.84131 6.51674 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 5.7435 4.24301 6.35398 4.08268 4.30695 7.0964 8.98102 6.58046 6.51674 8.84131 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 4.1125 5.9465 9.38827 8.46944 5.42067 4.30488 5.09449 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.4545 4.1125 5.9465 12.49 8.18107 9.38827 8.46944 5.42067 5.09449 4.30488 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.01176 12.49 9.8859 4.1125 6.97962 9.38827 8.46944 7.36435 4.30488 5.09449 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 7.01176 4.1125 6.97962 12.49 9.8859 9.38827 8.46944 7.36435 5.09449 4.30488 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 9.51381 6.60933 10.6137 3.98588 8.11702 11.1265 6.57741 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 8.35636 9.51381 6.60933 9.74143 7.02927 10.6137 3.98588 8.11702 6.57741 11.1265 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.35636 9.74143 7.02927 9.51381 6.60933 10.6137 12.1455 7.44558 9.63255 4.0719 numMergedOcc 0
11 mol 109 unq 1 iso 1 dist 8.35636 9.51381 6.60933 9.74143 7.02927 10.6137 12.1455 7.44558 4.0719 9.63255 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 9.01097 9.66219 4.09459 5.96967 7.02367 5.40648 3.52111 numMergedOcc 0
13 mol 113 unq 0 iso 1 dist 8.89481 9.01097 9.66219 11.2266 8.8822 4.09459 5.96967 7.02367 3.52111 5.40648 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 8.89481 11.2266 8.8822 9.01097 9.66219 4.09459 7.52951 9.30832 15.5674 13.7232 numMergedOcc 0
15 mol 113 unq 1 iso 1 dist 8.89481 9.01097 9.66219 11.2266 8.8822 4.09459 7.52951 9.30832 13.7232 15.5674 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 6.93382 9.23819 5.03547 6.80573 4.42563 8.90201 11.3935 numMergedOcc 0
17 mol 122 unq 0 iso 1 dist 6.78949 6.93382 9.23819 4.21285 8.88537 5.03547 6.80573 4.42563 11.3935 8.90201 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 9.40018 9.33734 8.88537 4.81033 9.23819 5.03547 12.9961 4.42563 8.90201 11.3935 numMergedOcc 0
19 mol 122 unq 1 iso 1 dist 9.40018 4.81033 9.23819 9.33734 8.88537 5.03547 12.9961 4.42563 11.3935 8.90201 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.81337 4.34786 8.70296 11.6607 9.25558 14.5627 3.97269 8.80895 5.92118 10.2176 numMergedOcc 0
21 mol 131 unq 0 iso 1 dist 7.81337 11.6607 9.25558 4.34786 8.70296 14.5627 3.97269 8.80895 10.2176 5.92118 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 11.347 8.91301 4.30566 9.81306 8.99891 14.3396 12.476 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 8.30654 11.347 8.91301 11.6678 7.78652 4.30566 9.81306 8.99891 12.476 14.3396 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 4.58275 6.95086 9.90317 8.15115 6.59544 9.10355 9.70528 numMergedOcc 0
25 mol 195 unq 0 iso 1 dist 7.63036 4.58275 6.95086 7.14066 7.36683 9.90317 8.15115 6.59544 9.70528 9.10355 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 9.89331 7.33701 6.46458 12.9317 4.51255 9.36584 8.97305 numMergedOcc 0
27 mol 206 unq 0 iso 1 dist 9.36079 9.89331 7.33701 10.9922 6.16414 6.46458 12.9317 4.51255 8.97305 9.36584 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 9.36079 10.9922 6.16414 8.83984 8.0871 9.9892 12.9317 4.51255 9.36584 8.90838 numMergedOcc 0
29 mol 206 unq 1 iso 1 dist 9.36079 8.83984 8.0871 10.9922 6.16414 9.9892 12.9317 4.51255 8.90838 9.36584 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 9.36079 9.89331 7.33701 8.83984 8.0871 4.38701 12.9317 4.51255 8.97305 8.90838 numMergedOcc 0
31 mol 206 unq 1 iso 1 dist 9.36079 8.83984 8.0871 9.89331 7.33701 4.38701 12.9317 4.51255 8.90838 8.97305 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 7.42904 8.16827 6.16414 6.06766 7.33701 6.46458 10.8126 4.51255 9.36584 8.97305 numMergedOcc 0
33 mol 206 unq 2 iso 1 dist 7.42904 6.06766 7.33701 8.16827 6.16414 6.46458 10.8126 4.51255 8.97305 9.36584 numMergedOcc 0
34 mol 206 unq 3 iso 0 dist 7.42904 8.16827 6.16414 5.82916 8.0871 9.9892 10.8126 4.51255 9.36584 8.90838 numMergedOcc 0
35 mol 206 unq 3 iso 1 dist 7.42904 5.82916 8.0871 8.16827 6.16414 9.9892 10.8126 4.51255 8.90838 9.36584 numMergedOcc 0
36 mol 206 unq 3 iso 0 dist 7.42904 6.06766 7.33701 5.82916 8.0871 4.38701 10.8126 4.51255 8.97305 8.90838 numMergedOcc 0
37 mol 206 unq 3 iso 1 dist 7.42904 5.82916 8.0871 6.06766 7.33701 4.38701 10.8126 4.51255 8.90838 8.97305 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 4.05539 9.82371 11.3283 9.08651 5.1609 3.98604 7.99695 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 9.55777 4.05539 9.82371 12.979 7.67576 11.3283 9.08651 5.1609 7.99695 3.98604 numMergedOcc 0
