0 mol 27 unq 0 iso 0 dist 7.8565 9.09443 4.26037 3.9572 6.56549 5.9635 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.61226 7.27643 6.06435 5.38977 5.14358 5.22979 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.61226 7.27643 6.06435 6.57029 7.3557 8.74665 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 6.79739 7.90081 6.06435 4.87092 5.14358 5.22979 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 6.79739 7.90081 6.06435 5.32207 7.3557 8.74665 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 4.87397 8.47261 7.7205 5.51402 7.31989 13.602 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.35101 8.80308 4.37642 7.30921 8.85156 9.53438 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 6.9297 6.04435 9.01045 8.59739 10.8203 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 8.68497 7.27852 11.2869 9.65919 5.73799 15.0738 numMergedOcc 0
9 mol 81 unq 1 iso 0 dist 8.68497 7.27852 11.2869 11.4056 8.38883 12.8658 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 6.30982 9.19273 9.25102 3.97496 9.79864 12.0197 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 6.12404 9.19273 4.08294 3.82475 8.42219 10.2171 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.87505 8.65287 11.0466 11.1633 5.82945 16.2342 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.83539 8.84033 10.6456 6.27023 9.31012 15.0812 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 9.21404 8.84033 4.32093 9.76833 9.27308 11.8276 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 9.21404 8.84033 4.32093 8.96906 7.25438 10.4883 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.92025 7.87572 5.55311 14.3613 9.94117 13.474 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.84088 9.26512 15.9388 3.45727 7.63381 8.95511 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 6.84088 9.2495 5.38925 3.45727 7.63381 10.8822 numMergedOcc 0
19 mol 239 unq 2 iso 0 dist 6.84088 5.82804 4.22981 3.45727 7.63381 5.85002 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 9.36652 8.73597 7.61243 4.80469 7.23526 10.1864 numMergedOcc 0
21 mol 256 unq 1 iso 0 dist 7.54613 7.32198 7.61243 4.07811 7.23526 10.1864 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.86805 5.62193 6.00136 6.11441 6.22195 9.63518 numMergedOcc 0
