0 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 5.59128 5.02241 12.1135 13.9555 7.21717 20.576 11.0681 numMergedOcc 0
1 mol 167 unq 0 iso 0 dist 6.64164 9.5648 12.8624 6.90242 8.62646 11.4453 10.2539 9.67741 18.0601 7.31643 numMergedOcc 0
2 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 12.8521 8.61331 11.1213 5.19351 7.33273 11.3115 13.7844 numMergedOcc 0
3 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 5.37421 6.73313 12.0055 7.00671 6.73956 15.1576 5.8726 numMergedOcc 0
4 mol 182 unq 1 iso 0 dist 6.31492 8.43599 11.1685 5.37421 6.73313 12.0055 11.1247 7.09394 17.7169 10.7622 numMergedOcc 0
5 mol 182 unq 2 iso 0 dist 7.8621 7.01577 6.1548 13.0784 6.73313 12.8588 9.23913 6.73956 11.9309 5.8726 numMergedOcc 0
6 mol 182 unq 3 iso 0 dist 7.8621 7.01577 6.1548 13.0784 6.73313 12.8588 5.77163 7.09394 9.02127 10.7622 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 13.2566 5.90931 9.58537 15.254 9.68728 15.6821 11.145 numMergedOcc 0
8 mol 213 unq 0 iso 0 dist 6.82185 7.86605 4.71943 10.693 6.0965 10.4143 10.6201 7.37798 9.34602 6.17282 numMergedOcc 0
9 mol 213 unq 1 iso 0 dist 6.82185 7.86605 4.71943 10.693 6.0965 10.4143 5.50169 7.73322 10.4161 10.5013 numMergedOcc 0
10 mol 213 unq 2 iso 0 dist 6.82185 7.86605 4.71943 12.9129 9.59129 14.2472 10.6201 7.37798 9.34602 12.1116 numMergedOcc 0
11 mol 213 unq 3 iso 0 dist 6.82185 7.86605 4.71943 12.9129 9.59129 14.2472 5.50169 7.73322 10.4161 9.93085 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 5.52981 8.5458 9.81852 10.2333 7.18041 16.6322 5.3192 6.1951 13.5182 6.16211 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 5.52981 8.5458 9.81852 6.48676 7.17547 10.71 5.3192 6.1951 13.5182 7.21048 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.29203 9.59909 8.71924 11.091 9.90142 8.54425 13.6806 7.57812 14.4206 10.3147 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.29203 9.59909 8.71924 11.091 9.90142 8.54425 16.2617 8.69104 17.1864 15.6823 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 7.80166 9.59909 14.2741 12.4266 9.29858 12.9803 13.6806 9.24557 14.4206 10.3809 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 6.42827 6.32658 10.3504 5.63238 8.83735 10.5843 5.74889 5.48118 8.76518 10.639 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 12.4113 6.89451 12.8445 4.481 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 12.4113 6.89451 12.8445 12.237 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 12.4113 6.89451 12.7018 4.481 numMergedOcc 0
21 mol 287 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 12.4113 6.89451 12.7018 12.237 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 12.4113 6.89451 12.8445 4.481 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 12.4113 6.89451 12.8445 12.237 numMergedOcc 0
24 mol 288 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 12.4113 6.89451 12.7018 4.481 numMergedOcc 0
25 mol 288 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 12.4113 6.89451 12.7018 12.237 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.28096 6.17759 7.83168 9.67343 7.04472 11.4664 12.4113 6.89451 12.8445 4.481 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 7.28096 6.17759 7.83168 6.32031 6.4778 10.2749 12.4113 6.89451 12.8445 12.237 numMergedOcc 0
28 mol 289 unq 2 iso 0 dist 7.28096 8.20391 10.0322 9.67343 7.04472 10.6934 12.4113 6.89451 12.7018 4.481 numMergedOcc 0
29 mol 289 unq 3 iso 0 dist 7.28096 8.20391 10.0322 6.32031 6.4778 13.4426 12.4113 6.89451 12.7018 12.237 numMergedOcc 0
