0 mol 10 unq 0 iso 0 dist 9.31452 6.23648 6.47443 3.5691 8.98746 4.68389 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.21183 4.87139 8.40467 3.69246 7.30932 8.31255 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 8.93403 8.47386 3.82644 6.93709 5.27648 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.24687 3.70511 8.47386 7.47409 6.93709 5.27648 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 5.68877 8.73415 5.55479 5.22301 9.36493 11.2499 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 5.68877 8.73415 5.55479 9.36704 9.0665 7.20258 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 5.68877 8.73415 5.55479 12.1168 7.07773 6.48477 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 6.30541 8.35647 9.1276 3.44879 5.89913 5.33571 numMergedOcc 0
8 mol 44 unq 1 iso 0 dist 6.14602 6.99174 9.1276 3.76713 5.89913 5.33571 numMergedOcc 0
9 mol 44 unq 2 iso 0 dist 7.41011 6.99174 9.99671 3.76713 9.80946 5.33571 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.04611 3.44873 6.90069 7.21901 6.50622 4.76861 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.04611 3.44873 6.90069 5.83035 4.45433 4.315 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 6.96066 3.80156 6.63733 5.73969 4.5892 3.07021 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 8.85708 10.2932 8.54233 13.3692 8.16392 9.7683 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.54588 10.3282 7.86997 15.1218 9.08818 6.43304 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.54588 10.3282 7.86997 4.77079 7.93563 7.36003 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.54588 10.3282 7.86997 7.71219 5.70056 3.2635 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 8.54588 12.0342 6.80944 15.1218 9.08818 4.46688 numMergedOcc 0
18 mol 186 unq 4 iso 0 dist 8.54588 12.0342 6.80944 4.77079 7.93563 9.6068 numMergedOcc 0
19 mol 186 unq 5 iso 0 dist 8.54588 12.0342 6.80944 7.71219 5.70056 4.9849 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 9.08655 3.86206 9.26885 3.48476 9.66898 5.43825 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 6.64341 7.79226 9.94612 8.85684 5.04072 12.6421 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 6.64341 7.79226 9.94612 6.43635 8.67956 3.30455 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 7.31315 11.122 9.94612 7.67001 5.04072 12.6421 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 7.31315 11.122 9.94612 9.04953 8.67956 3.30455 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.80725 9.92544 9.2885 4.21541 9.31843 6.12744 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.35799 6.32559 5.41277 11.2104 5.76793 9.19808 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 7.35799 6.32559 5.41277 9.14234 7.72276 3.36713 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 9.69083 12.9436 8.39635 13.6006 9.33601 3.12129 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 5.96202 3.77125 8.39635 6.35533 9.33601 3.12129 numMergedOcc 0
30 mol 283 unq 2 iso 0 dist 9.55068 11.2772 8.39635 13.9497 9.33601 3.12129 numMergedOcc 0
