0 mol 34 unq 0 iso 0 dist 9.10681 9.67615 5.55479 8.3237 9.36493 11.2499 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.10681 9.67615 5.55479 11.3659 9.0665 7.20258 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.10681 9.67615 5.55479 15.0854 7.07773 6.48477 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 6.9327 5.60618 9.99671 9.16104 9.80946 5.33571 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.06519 5.45972 9.15275 3.42062 7.32699 3.5956 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.54027 6.53592 9.35075 3.42062 6.45933 4.48872 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.54027 5.45972 9.7772 3.42062 6.45933 3.5956 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.12546 5.30529 7.39468 3.47529 7.05964 4.91531 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 8.12546 6.60498 5.55714 3.47529 7.05964 4.38297 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 8.12546 5.58768 9.85287 3.47529 7.05964 3.63523 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 8.80303 12.9723 9.63348 10.3901 7.62814 4.9947 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.86463 15.0117 9.47628 6.34918 9.93968 18.5953 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.06502 9.96015 6.90069 9.26191 6.50622 4.76861 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 8.06502 9.96015 6.90069 6.42604 4.45433 4.315 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 6.05736 11.5373 7.31364 9.87425 6.82267 3.43966 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.34007 4.01797 7.31364 6.88393 6.82267 3.43966 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.50402 10.6312 7.91109 9.50148 9.50762 7.59102 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 5.50402 10.6312 7.91109 10.2696 7.57472 5.83839 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 5.50402 9.58584 5.75808 9.50148 9.50762 9.54746 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 5.50402 9.58584 5.75808 10.2696 7.57472 3.7404 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 8.45309 15.6229 9.07247 10.5062 9.511 8.73 numMergedOcc 0
21 mol 184 unq 1 iso 0 dist 8.45309 15.6229 9.07247 8.57356 7.72354 9.71065 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.10646 4.48277 9.94612 9.35225 5.04072 12.6421 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 7.10646 4.48277 9.94612 3.95521 8.67956 3.30455 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.26044 9.42722 8.03092 11.2097 7.14918 3.13463 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 9.26044 9.42722 8.03092 6.10489 9.29322 11.0087 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.15432 9.50243 5.41277 3.75969 5.76793 9.19808 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 5.15432 9.50243 5.41277 11.1754 7.72276 3.36713 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 8.2375 10.2744 5.41277 3.72823 5.76793 9.19808 numMergedOcc 0
29 mol 279 unq 3 iso 0 dist 8.2375 10.2744 5.41277 9.62805 7.72276 3.36713 numMergedOcc 0
30 mol 279 unq 4 iso 0 dist 9.23951 9.14765 5.41277 6.22298 5.76793 9.19808 numMergedOcc 0
31 mol 279 unq 5 iso 0 dist 9.23951 9.14765 5.41277 8.30922 7.72276 3.36713 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 7.11407 9.46362 8.39635 9.8348 9.33601 3.12129 numMergedOcc 0
