0 mol 78 unq 0 iso 0 dist 8.63732 6.89185 6.6573 6.12049 13.3449 8.65848 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 8.63732 6.89185 6.6573 4.94803 10.101 7.25801 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 7.50417 7.80757 4.4651 8.07529 4.62314 6.85523 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 7.50417 7.80757 4.4651 12.9164 6.35234 5.77326 numMergedOcc 0
4 mol 78 unq 4 iso 0 dist 7.50417 5.5849 9.31889 8.07529 4.62314 8.65848 numMergedOcc 0
5 mol 78 unq 5 iso 0 dist 7.50417 5.5849 9.31889 6.52163 10.6907 7.25801 numMergedOcc 0
6 mol 78 unq 6 iso 0 dist 8.29369 9.2835 7.17843 14.1127 7.32064 6.85523 numMergedOcc 0
7 mol 78 unq 7 iso 0 dist 8.29369 9.2835 7.17843 7.94748 5.85007 5.77326 numMergedOcc 0
8 mol 78 unq 8 iso 0 dist 6.75455 5.02591 7.17843 10.5433 7.32064 6.85523 numMergedOcc 0
9 mol 78 unq 9 iso 0 dist 6.75455 5.02591 7.17843 7.00354 5.85007 5.77326 numMergedOcc 0
10 mol 78 unq 10 iso 0 dist 6.28063 5.02591 4.4651 10.5433 4.62314 6.85523 numMergedOcc 0
11 mol 78 unq 11 iso 0 dist 6.28063 5.02591 4.4651 7.00354 6.35234 5.77326 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 6.68154 8.89514 6.46605 4.11658 7.55644 6.53308 numMergedOcc 0
13 mol 89 unq 1 iso 0 dist 6.68154 8.89514 6.46605 10.0938 12.2036 7.47974 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 6.11558 9.011 6.00603 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.74464 6.38977 5.6098 4.67452 9.10434 9.27976 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 4.14252 12.1545 9.36259 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 7.5179 9.73922 9.57777 6.35125 11.298 7.68266 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 7.5179 9.73922 9.57777 8.80332 11.5835 6.84752 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 8.01303 6.64164 8.66436 5.02648 10.7297 7.20495 numMergedOcc 0
20 mol 167 unq 3 iso 0 dist 8.01303 6.64164 8.66436 12.0503 11.298 9.2289 numMergedOcc 0
21 mol 167 unq 4 iso 0 dist 8.01303 6.64164 8.66436 10.1276 11.5835 7.02548 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 6.6094 10.3671 7.9133 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 6.99474 6.32652 4.30341 6.5797 6.14128 5.94972 numMergedOcc 0
24 mol 217 unq 0 iso 0 dist 6.00351 8.28941 6.20364 10.7302 12.4838 7.60269 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 9.41512 13.5401 9.46361 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.37648 9.47382 9.84081 11.8307 14.6534 5.85442 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 6.37648 9.47382 9.84081 9.41512 13.5401 6.95511 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 4.54051 5.72473 7.20674 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 9.22345 5.69465 8.04474 5.92893 12.7549 8.38121 numMergedOcc 0
