0 mol 24 unq 0 iso 0 dist 6.32779 6.77987 5.15319 6.09311 9.74777 11.144 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.33902 6.74914 6.01288 13.466 5.11382 10.7988 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 9.95208 6.53592 5.7037 6.77802 11.8252 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.84323 8.09973 5.90259 3.66673 6.51901 7.16844 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.24768 8.09973 6.38075 3.66673 9.1926 7.16844 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 6.24296 8.175 3.81285 6.56288 4.29937 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 6.24296 8.175 6.17121 5.97559 5.37869 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.52742 6.83218 9.3414 3.81285 6.56288 3.65628 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 7.52742 6.83218 9.3414 6.17121 5.97559 4.05415 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.52936 8.72835 17.5103 10.0233 7.09177 16.4875 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 5.27541 9.43355 8.99253 3.99275 5.96189 8.28591 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 5.27541 5.64141 3.78587 3.99275 5.96189 5.35008 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 5.27541 5.46186 10.5386 3.99275 5.96189 8.30921 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 6.4081 5.82551 3.94084 5.47525 9.98215 8.72957 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.1717 5.24228 9.9475 6.8842 5.86693 10.3229 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.55683 5.4647 4.00111 8.84201 6.3472 9.15383 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 7.37431 7.75041 3.85894 4.26532 8.54982 10.5462 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.52744 9.22792 11.7817 8.73397 7.00382 14.2971 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.52744 7.85696 8.23538 8.73397 7.00382 12.7275 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 5.52744 5.00402 5.74741 8.73397 7.00382 9.4366 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 5.52744 6.17773 3.88002 8.73397 7.00382 10.6418 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.06541 9.04035 9.72425 7.73968 8.09863 10.3857 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 6.08019 9.90216 7.33993 5.40345 7.73107 14.0782 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
25 mol 287 unq 2 iso 0 dist 5.06731 7.51385 6.60353 4.88961 7.86292 10.9964 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 5.06731 7.51385 6.60353 4.88961 7.86292 10.9964 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 5.06731 9.98518 11.2805 3.76412 6.05363 8.06767 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 5.06731 7.51385 6.60353 6.00938 8.15636 6.22311 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 5.06731 7.51385 6.60353 4.88961 7.86292 10.9964 numMergedOcc 0
