0 mol 6 unq 0 iso 0 dist 9.12748 6.96917 6.8041 6.46784 6.94663 4.82562 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.58319 5.28841 6.8073 11.3165 13.357 7.49794 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.31952 4.99432 6.42242 9.48328 10.8889 5.43913 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.31952 4.99432 6.42242 11.5119 13.697 8.26877 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.42828 10.1359 6.93893 15.8707 12.8723 8.91998 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.98441 11.3866 6.93893 16.9889 12.8723 8.91998 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 5.45873 9.36488 6.93893 16.7772 12.8723 8.91998 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.29506 6.83777 7.13064 10.0901 5.64998 8.55758 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.29506 6.83777 7.13064 10.6404 4.76749 7.44027 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.24843 10.4382 7.13064 11.5774 5.64998 8.55758 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.24843 10.4382 7.13064 11.7117 4.76749 7.44027 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 6.58492 6.83777 7.8962 10.0901 4.34681 8.55758 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 6.58492 6.83777 7.8962 10.6404 5.73248 7.44027 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 7.63783 10.4382 7.8962 11.5774 4.34681 8.55758 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 7.63783 10.4382 7.8962 11.7117 5.73248 7.44027 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.57714 8.04699 8.46376 5.86693 3.84623 9.57243 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.57714 8.04699 8.46376 14.7271 10.3222 8.12558 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 8.6938 10.6534 7.37823 16.1705 11.5634 5.5223 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 8.6938 10.6534 7.37823 17.5302 12.3784 8.00501 numMergedOcc 0
19 mol 192 unq 2 iso 0 dist 7.50854 11.2457 7.37823 16.3481 11.5634 5.5223 numMergedOcc 0
20 mol 192 unq 3 iso 0 dist 7.50854 11.2457 7.37823 16.3578 12.3784 8.00501 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 7.71806 12.1121 5.4455 4.55528 3.7326 7.56217 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 7.71806 12.1121 5.4455 4.42095 7.29209 9.81055 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 9.639 14.4545 8.82861 12.0034 8.56684 6.46946 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.499 8.46479 9.85821 17.298 14.7528 8.99104 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 9.28249 14.9665 9.97458 15.7008 11.7712 9.3491 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.41595 5.3246 7.60896 10.4988 10.3958 9.09279 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.9268 14.026 8.64294 10.8827 5.35601 9.80396 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 9.9268 14.026 8.64294 15.0291 6.06804 6.3093 numMergedOcc 0
29 mol 253 unq 2 iso 0 dist 9.75905 12.7588 8.64294 14.3793 5.35601 9.80396 numMergedOcc 0
30 mol 253 unq 3 iso 0 dist 9.75905 12.7588 8.64294 14.1515 6.06804 6.3093 numMergedOcc 0
31 mol 253 unq 4 iso 0 dist 9.46975 4.8687 8.64294 12.7759 5.35601 9.80396 numMergedOcc 0
32 mol 253 unq 5 iso 0 dist 9.46975 4.8687 8.64294 8.58013 6.06804 6.3093 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 8.73597 17.3254 9.65136 14.0674 5.59732 6.33954 numMergedOcc 0
34 mol 256 unq 1 iso 0 dist 7.32198 14.7962 9.65136 12.704 5.59732 6.33954 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 9.33975 16.3083 9.38952 17.5674 8.71368 7.00616 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 7.18775 11.5286 9.38952 12.6659 8.71368 7.00616 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 8.83246 5.52829 7.14502 11.686 8.15681 9.49562 numMergedOcc 0
