0 mol 5 unq 0 iso 0 dist 8.4458 8.94835 6.66949 10.1029 7.50453 7.24092 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 6.44474 12.7552 9.50612 12.0632 9.07564 11.823 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 6.44474 10.7428 6.46784 12.0632 9.07564 3.9416 numMergedOcc 0
3 mol 6 unq 2 iso 0 dist 7.35038 16.01 9.50612 13.9117 9.07564 11.823 numMergedOcc 0
4 mol 6 unq 3 iso 0 dist 7.35038 12.8506 6.46784 13.9117 9.07564 3.9416 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.05406 5.77469 6.35997 8.06805 6.52283 9.9219 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 6.47204 10.7073 6.32052 11.9758 9.59073 8.79311 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 7.97216 13.0478 6.32052 15.8761 9.59073 8.79311 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.06938 10.1113 6.75985 3.71431 4.62636 7.18166 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 5.83101 3.81625 6.75985 3.88644 4.62636 7.18166 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.09327 4.20158 6.56288 7.98867 4.29937 8.175 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.09327 4.20158 6.56288 9.38254 3.65628 9.3414 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.09327 4.20158 6.56288 16.6207 9.77774 14.8394 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 6.7686 4.20158 5.97559 7.98867 5.37869 8.175 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 6.7686 4.20158 5.97559 9.38254 4.05415 9.3414 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 6.7686 4.20158 5.97559 16.6207 9.97944 14.8394 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 7.3165 15.1896 9.44 4.68267 8.67025 15.8274 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 7.47051 12.1765 9.44 13.0412 8.67025 15.8274 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 8.4272 12.1765 8.47634 13.9447 9.60127 3.66763 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.26789 11.1369 9.03468 5.99497 8.06767 6.05528 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.26789 11.1369 9.03468 12.0493 9.91087 13.0121 numMergedOcc 0
21 mol 287 unq 2 iso 0 dist 8.26789 8.34452 6.05363 5.99497 8.06767 11.2805 numMergedOcc 0
22 mol 287 unq 3 iso 0 dist 8.26789 8.34452 6.05363 12.0493 9.91087 6.24038 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.26789 11.1369 9.03468 5.99497 8.06767 6.05528 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 8.26789 11.1369 9.03468 12.0493 9.91087 13.0121 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 8.26789 8.34452 6.05363 5.99497 8.06767 11.2805 numMergedOcc 0
26 mol 288 unq 3 iso 0 dist 8.26789 8.34452 6.05363 12.0493 9.91087 6.24038 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.26789 11.1369 9.03468 5.99497 8.06767 6.05528 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.26789 11.1369 9.03468 12.0493 9.91087 13.0121 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 8.26789 8.34452 6.05363 5.99497 8.06767 11.2805 numMergedOcc 0
30 mol 289 unq 3 iso 0 dist 8.26789 8.34452 6.05363 12.0493 9.91087 6.24038 numMergedOcc 0
