0 mol 19 unq 0 iso 0 dist 7.82528 8.78293 14.7664 10.0411 6.38574 17.3652 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.82528 8.23643 11.0033 10.0411 6.38574 15.6781 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.34122 7.92394 13.6636 6.93285 5.48202 11.2098 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.34122 9.93423 12.434 6.93285 5.48202 10.6366 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 8.59981 7.34519 12.7129 14.8455 9.70065 21.2211 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 7.66331 8.58999 12.7129 14.6454 9.70065 21.2211 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.71012 6.94688 5.3528 11.618 7.61421 11.7261 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 11.9685 9.77656 16.3356 numMergedOcc 0
8 mol 197 unq 1 iso 0 dist 8.99696 7.85058 14.5931 16.9912 9.6071 22.6396 numMergedOcc 0
9 mol 197 unq 2 iso 0 dist 8.99696 9.96638 8.44549 11.9685 9.77656 13.0499 numMergedOcc 0
10 mol 197 unq 3 iso 0 dist 8.99696 9.96638 8.44549 16.9912 9.6071 15.9572 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 4.67313 6.8984 7.77553 numMergedOcc 0
12 mol 213 unq 1 iso 0 dist 9.59129 6.0965 6.04429 4.67313 7.77553 6.8984 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 7.17547 7.18041 9.17818 14.5747 8.5244 15.9417 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 7.13323 9.50586 4.63933 11.7256 8.5244 11.67 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 12.7879 5.69634 7.91374 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.85175 9.5707 5.32617 12.7879 7.91374 5.69634 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.9216 9.68513 4.83721 4.56594 8.54425 12.9803 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.14172 8.09066 10.9258 10.1977 8.71877 12.5272 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.77463 7.2766 10.9258 5.7648 8.71877 12.5272 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.77938 7.76676 6.1415 5.96249 8.22608 12.4194 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 6.77938 7.76676 6.1415 5.97386 5.23503 9.61028 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 7.76676 6.77938 6.1415 5.97386 9.61028 5.23503 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 9.5784 9.0012 6.20393 11.147 8.56867 13.8949 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 9.5784 9.0012 6.20393 10.0018 6.29872 11.756 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.04472 6.4778 11.01 4.21609 9.53713 9.97749 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.04472 6.4778 11.01 4.21609 9.53713 9.97749 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.04472 6.4778 11.01 4.21609 9.53713 9.97749 numMergedOcc 0
