0 mol 19 unq 0 iso 0 dist 7.82528 8.78293 14.7664 7.75618 11.4087 6.2337 10.0411 6.38574 17.3652 12.7679 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.82528 8.23643 11.0033 7.75618 11.4087 14.4867 10.0411 6.38574 15.6781 12.7679 numMergedOcc 0
2 mol 181 unq 0 iso 0 dist 6.71012 6.94688 5.3528 8.90963 6.03415 4.43678 11.618 7.61421 11.7261 9.20617 numMergedOcc 0
3 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 7.50013 11.1666 5.53129 11.9685 9.77656 16.3356 11.7004 numMergedOcc 0
4 mol 197 unq 1 iso 0 dist 8.99696 7.85058 14.5931 7.50013 11.1666 5.53129 16.9912 9.6071 22.6396 18.045 numMergedOcc 0
5 mol 197 unq 2 iso 0 dist 8.99696 7.85058 14.5931 5.81233 13.3562 4.38296 11.9685 9.77656 16.3356 13.216 numMergedOcc 0
6 mol 197 unq 3 iso 0 dist 8.99696 7.85058 14.5931 5.81233 13.3562 4.38296 16.9912 9.6071 22.6396 20.3848 numMergedOcc 0
7 mol 197 unq 4 iso 0 dist 8.99696 7.85058 14.5931 6.92924 4.59269 11.3267 11.9685 9.77656 16.3356 12.6843 numMergedOcc 0
8 mol 197 unq 5 iso 0 dist 8.99696 7.85058 14.5931 6.92924 4.59269 11.3267 16.9912 9.6071 22.6396 14.1651 numMergedOcc 0
9 mol 197 unq 6 iso 0 dist 8.99696 7.85058 14.5931 7.14306 12.9766 8.05362 11.9685 9.77656 16.3356 18.6741 numMergedOcc 0
10 mol 197 unq 7 iso 0 dist 8.99696 7.85058 14.5931 7.14306 12.9766 8.05362 16.9912 9.6071 22.6396 22.3533 numMergedOcc 0
11 mol 197 unq 8 iso 0 dist 8.99696 9.96638 8.44549 7.50013 11.1666 6.46195 11.9685 9.77656 13.0499 11.7004 numMergedOcc 0
12 mol 197 unq 9 iso 0 dist 8.99696 9.96638 8.44549 7.50013 11.1666 6.46195 16.9912 9.6071 15.9572 18.045 numMergedOcc 0
13 mol 197 unq 10 iso 0 dist 8.99696 9.96638 8.44549 5.81233 13.3562 11.0356 11.9685 9.77656 13.0499 13.216 numMergedOcc 0
14 mol 197 unq 11 iso 0 dist 8.99696 9.96638 8.44549 5.81233 13.3562 11.0356 16.9912 9.6071 15.9572 20.3848 numMergedOcc 0
15 mol 197 unq 12 iso 0 dist 8.99696 9.96638 8.44549 6.92924 4.59269 6.31157 11.9685 9.77656 13.0499 12.6843 numMergedOcc 0
16 mol 197 unq 13 iso 0 dist 8.99696 9.96638 8.44549 6.92924 4.59269 6.31157 16.9912 9.6071 15.9572 14.1651 numMergedOcc 0
17 mol 197 unq 14 iso 0 dist 8.99696 9.96638 8.44549 7.14306 12.9766 11.5276 11.9685 9.77656 13.0499 18.6741 numMergedOcc 0
18 mol 197 unq 15 iso 0 dist 8.99696 9.96638 8.44549 7.14306 12.9766 11.5276 16.9912 9.6071 15.9572 22.3533 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 7.37798 6.17282 12.1116 4.67313 6.8984 7.77553 10.7796 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 6.0965 9.59129 6.04429 7.73322 10.5013 9.93085 4.67313 6.8984 7.77553 8.59946 numMergedOcc 0
21 mol 213 unq 2 iso 0 dist 9.59129 6.0965 6.04429 7.37798 12.1116 6.17282 4.67313 7.77553 6.8984 10.7796 numMergedOcc 0
22 mol 213 unq 3 iso 0 dist 9.59129 6.0965 6.04429 7.73322 9.93085 10.5013 4.67313 7.77553 6.8984 8.59946 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 7.17547 7.18041 9.17818 6.1951 7.21048 6.16211 14.5747 8.5244 15.9417 15.6098 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.14172 8.09066 10.9258 7.02333 4.38002 11.5793 10.1977 8.71877 12.5272 11.9026 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 6.77463 7.2766 10.9258 8.67864 4.38002 11.5793 5.7648 8.71877 12.5272 11.9026 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.5784 9.0012 6.20393 7.16853 13.9064 9.76317 11.147 8.56867 13.8949 17.8153 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 9.5784 9.0012 6.20393 7.16853 13.9064 9.76317 10.0018 6.29872 11.756 16.5433 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 4.21609 9.53713 9.97749 7.99204 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 4.21609 9.53713 9.97749 7.99204 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.04472 6.4778 11.01 6.89451 4.481 12.237 4.21609 9.53713 9.97749 7.99204 numMergedOcc 0
