0 mol 32 unq 0 iso 0 dist 8.70934 3.24351 5.9972 11.4747 7.9487 8.70331 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.00967 9.67906 9.28732 9.83301 6.79455 7.53194 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.4786 8.29085 9.40835 15.359 13.2911 9.0681 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 9.7029 4.05486 9.23584 10.4746 13.8421 6.65947 numMergedOcc 0
4 mol 99 unq 1 iso 0 dist 9.43616 4.19068 9.23584 8.35131 13.8421 6.65947 numMergedOcc 0
5 mol 99 unq 2 iso 0 dist 7.96227 4.05486 5.81267 10.4746 9.393 6.65947 numMergedOcc 0
6 mol 99 unq 3 iso 0 dist 8.43048 4.19068 5.81267 8.35131 9.393 6.65947 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.90329 6.06647 8.61909 9.95664 5.27861 7.4113 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.90329 6.06647 8.61909 8.25015 15.2678 8.53631 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 9.31512 6.06647 5.96977 9.95664 12.5418 7.4113 numMergedOcc 0
10 mol 114 unq 3 iso 0 dist 9.31512 6.06647 5.96977 8.25015 5.01204 8.53631 numMergedOcc 0
11 mol 114 unq 4 iso 0 dist 8.40088 6.93927 5.96977 12.7933 12.5418 7.4113 numMergedOcc 0
12 mol 114 unq 5 iso 0 dist 8.40088 6.93927 5.96977 11.4344 5.01204 8.53631 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.82363 10.39 6.40751 14.2828 6.55605 9.57243 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.76702 8.89934 6.40751 9.63677 6.55605 9.57243 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.16822 3.64687 8.9632 9.69223 6.64449 7.78392 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.33636 8.28284 6.16848 10.0101 6.50683 5.19729 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.22539 12.6564 6.16848 11.6568 6.50683 5.19729 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 6.2537 14.4548 9.99181 15.2021 14.2646 8.99104 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 9.00987 4.38276 8.8385 5.16772 8.32254 6.90472 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.61098 11.3526 8.56867 10.8401 9.3815 8.14743 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.61098 8.93485 6.29872 10.8401 9.3815 8.75943 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 6.25794 6.26054 8.56867 9.49681 9.3815 8.14743 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 6.25794 3.81537 6.29872 9.49681 9.3815 8.75943 numMergedOcc 0
