0 mol 5 unq 0 iso 0 dist 6.99733 9.13355 4.59167 7.88567 5.34991 9.50135 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.5169 8.40467 9.2687 7.30932 6.62276 8.31255 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.91876 8.95648 6.46361 4.66195 4.42115 4.76781 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 4.50643 5.55479 3.92518 9.36493 9.45561 11.2499 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 4.50643 5.55479 3.92518 9.0665 8.57695 7.20258 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 4.50643 5.55479 3.92518 7.07773 9.30664 6.48477 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 6.11574 9.1276 9.9674 5.89913 4.94258 5.33571 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.87951 9.15275 4.73251 7.32699 5.81633 3.5956 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.88961 9.72232 5.08223 9.90758 5.87234 3.63523 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 9.96522 9.63348 5.19429 7.62814 4.04498 4.9947 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.49584 7.91109 11.3162 9.50762 5.57954 7.59102 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.49584 7.91109 11.3162 7.57472 15.0685 5.83839 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 9.49584 5.75808 12.0099 9.50762 5.57954 9.54746 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 9.49584 5.75808 12.0099 7.57472 15.0685 3.7404 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.49577 9.07247 13.4486 9.511 6.83738 8.73 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 8.49577 9.07247 13.4486 7.72354 4.57656 9.71065 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.92121 8.03092 11.1207 7.14918 11.6389 3.13463 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 8.92121 8.03092 11.1207 9.29322 10.1445 11.0087 numMergedOcc 0
18 mol 270 unq 0 iso 0 dist 6.32507 8.75041 8.39953 5.2559 4.68028 10.5865 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.51994 5.41277 7.98069 5.76793 6.55422 9.19808 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 8.51994 5.41277 7.98069 7.72276 6.12997 3.36713 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 7.76659 9.68114 5.14196 9.04679 6.93787 3.3309 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 6.53354 8.39635 7.87842 9.33601 9.76279 3.12129 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 6.93798 8.39635 5.55396 9.33601 7.97597 3.12129 numMergedOcc 0
