0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 10.7734 9.81983 7.5901 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.15542 4.84988 8.44353 8.82805 7.20729 12.8187 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.23438 5.92889 8.98478 10.2049 6.41008 8.88332 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.17488 7.05413 8.98478 5.49591 6.41008 8.88332 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.79356 6.61756 8.98478 5.85698 6.41008 8.88332 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.25027 7.50972 7.90338 7.23157 6.2576 5.97134 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.25027 7.50972 7.90338 12.5946 8.96069 9.00783 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 5.25027 7.50972 7.90338 9.69296 7.56495 4.52595 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 4.37025 7.50972 7.08462 6.54837 5.79139 4.94373 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 4.37025 7.50972 7.08462 9.69296 7.63923 4.52595 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.69926 10.7963 5.61151 10.6804 9.13593 5.75469 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.85237 10.7963 6.54289 10.6804 8.25144 5.75469 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 5.85237 4.83769 7.52869 10.6804 8.25144 7.66862 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 5.85237 6.24888 9.18945 10.6804 8.25144 11.7978 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 9.11768 7.79293 6.54289 6.85929 8.25144 5.75469 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 9.11768 4.53268 7.52869 6.85929 8.25144 7.66862 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 9.11768 6.09332 9.18945 6.85929 8.25144 11.7978 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 5.54256 5.498 7.68537 4.48396 6.07633 6.34242 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.111 12.8359 8.53618 14.0935 7.30244 12.1983 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 6.73617 6.02355 9.23589 8.93262 9.59327 4.42975 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 9.03544 6.02355 9.22196 8.93262 8.51399 4.42975 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 8.89394 5.83431 5.97134 10.0639 8.90588 4.70993 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.32259 13.909 7.6077 11.6798 4.51777 8.00091 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.32259 13.909 7.6077 7.68909 4.9606 9.86823 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.70481 5.88819 7.61421 11.85 9.20617 6.03415 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 5.72327 8.91002 8.13595 7.8636 6.23115 5.7252 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 5.81301 8.34559 8.13595 9.87336 6.23115 5.7252 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.81201 8.76212 8.13595 11.4648 6.23115 5.7252 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 5.50053 6.82073 9.94612 11.6729 6.18742 14.9634 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 5.30118 7.23534 5.50067 6.56801 8.58427 5.13166 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.98698 11.7115 5.50067 10.1857 8.58427 5.13166 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 5.30118 7.23534 5.50067 6.56801 8.58427 5.13166 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.98698 11.7115 5.50067 10.1857 8.58427 5.13166 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 5.30118 7.23534 5.50067 6.56801 8.58427 5.13166 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 8.98698 11.7115 5.50067 10.1857 8.58427 5.13166 numMergedOcc 0
