0 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 15.7652 14.0204 8.80331 15.8918 13.1056 6.20293 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 7.67459 9.69698 8.03754 15.8918 13.1056 6.20293 15.7652 14.0204 8.80331 8.13395 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 10.9082 9.59988 6.19304 5.4148 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 6.7939 10.3774 7.23812 10.9082 9.59988 6.19304 11.0108 12.8453 9.96396 5.4148 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 8.16299 7.80518 8.70481 14.9342 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 6.7939 10.3774 7.23812 8.16299 7.80518 8.70481 11.0108 12.8453 9.96396 14.9342 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 10.9082 9.59988 6.19304 8.16299 7.80518 8.70481 13.3558 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 6.7939 10.3774 7.23812 8.16299 7.80518 8.70481 10.9082 9.59988 6.19304 13.3558 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 17.327 9.59988 6.19304 5.4148 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 8.44695 12.6626 7.23812 17.327 9.59988 6.19304 20.562 12.8453 9.96396 5.4148 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 8.27015 7.80518 8.70481 14.9342 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 8.44695 12.6626 7.23812 8.27015 7.80518 8.70481 20.562 12.8453 9.96396 14.9342 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.44695 12.6626 7.23812 17.327 9.59988 6.19304 8.27015 7.80518 8.70481 13.3558 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 8.44695 12.6626 7.23812 8.27015 7.80518 8.70481 17.327 9.59988 6.19304 13.3558 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 11.801 9.59988 6.19304 5.4148 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 5.68894 9.64124 7.23812 11.801 9.59988 6.19304 16.3948 12.8453 9.96396 5.4148 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 12.2721 7.80518 8.70481 14.9342 numMergedOcc 0
17 mol 73 unq 5 iso 1 dist 5.68894 9.64124 7.23812 12.2721 7.80518 8.70481 16.3948 12.8453 9.96396 14.9342 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 5.68894 9.64124 7.23812 11.801 9.59988 6.19304 12.2721 7.80518 8.70481 13.3558 numMergedOcc 0
19 mol 73 unq 5 iso 1 dist 5.68894 9.64124 7.23812 12.2721 7.80518 8.70481 11.801 9.59988 6.19304 13.3558 numMergedOcc 0
20 mol 75 unq 0 iso 0 dist 7.93145 9.14798 6.96759 16.1633 13.8905 7.79912 17.6145 12.899 8.56639 5.64643 numMergedOcc 0
21 mol 75 unq 0 iso 1 dist 7.93145 9.14798 6.96759 17.6145 12.899 8.56639 16.1633 13.8905 7.79912 5.64643 numMergedOcc 0
22 mol 75 unq 1 iso 0 dist 7.93145 9.14798 6.96759 16.1633 13.8905 7.79912 15.3522 8.41332 8.59017 10.4899 numMergedOcc 0
23 mol 75 unq 1 iso 1 dist 7.93145 9.14798 6.96759 15.3522 8.41332 8.59017 16.1633 13.8905 7.79912 10.4899 numMergedOcc 0
24 mol 75 unq 1 iso 0 dist 7.93145 9.14798 6.96759 17.6145 12.899 8.56639 15.3522 8.41332 8.59017 7.00674 numMergedOcc 0
25 mol 75 unq 1 iso 1 dist 7.93145 9.14798 6.96759 15.3522 8.41332 8.59017 17.6145 12.899 8.56639 7.00674 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 5.92836 14.5299 9.47554 10.1767 5.34829 7.11802 11.6202 9.67676 8.00618 8.18495 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 5.92836 14.5299 9.47554 11.6202 9.67676 8.00618 10.1767 5.34829 7.11802 8.18495 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 15.3848 13.1435 8.56324 16.0753 13.793 6.70283 7.65448 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 15.3848 13.1435 8.56324 7.65448 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 15.3848 13.1435 8.56324 16.0158 11.2124 7.16148 10.6875 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 9.27341 9.50073 8.41774 16.0158 11.2124 7.16148 15.3848 13.1435 8.56324 10.6875 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 16.0158 11.2124 7.16148 5.49936 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 9.27341 9.50073 8.41774 16.0158 11.2124 7.16148 16.0753 13.793 6.70283 5.49936 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 9.23669 15.0515 9.44947 18.9597 10.5243 7.10633 15.8109 10.2677 8.51516 10.8344 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 9.23669 15.0515 9.44947 15.8109 10.2677 8.51516 18.9597 10.5243 7.10633 10.8344 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 9.57625 13.0808 5.39218 20.4393 13.3213 9.23153 20.5878 11.4842 8.24498 10.5449 numMergedOcc 0
37 mol 220 unq 0 iso 1 dist 9.57625 13.0808 5.39218 20.5878 11.4842 8.24498 20.4393 13.3213 9.23153 10.5449 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 8.7419 4.81992 6.00706 8.5834 9.69122 7.54212 6.8425 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 7.99609 5.01062 7.73634 8.5834 9.69122 7.54212 8.7419 4.81992 6.00706 6.8425 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 10.7821 8.81588 6.60405 8.21585 5.90131 6.42289 7.26417 numMergedOcc 0
41 mol 258 unq 0 iso 1 dist 8.73425 5.13233 9.04358 8.21585 5.90131 6.42289 10.7821 8.81588 6.60405 7.26417 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 7.3406 4.69366 5.00128 12.5834 9.40373 8.02547 10.5044 5.09097 8.43057 10.0727 numMergedOcc 0
43 mol 261 unq 0 iso 1 dist 7.3406 4.69366 5.00128 10.5044 5.09097 8.43057 12.5834 9.40373 8.02547 10.0727 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 7.3406 4.69366 5.00128 12.5834 9.40373 8.02547 9.91632 4.86901 6.05727 5.51688 numMergedOcc 0
45 mol 261 unq 1 iso 1 dist 7.3406 4.69366 5.00128 9.91632 4.86901 6.05727 12.5834 9.40373 8.02547 5.51688 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 7.3406 4.69366 5.00128 10.5044 5.09097 8.43057 9.91632 4.86901 6.05727 4.63549 numMergedOcc 0
47 mol 261 unq 1 iso 1 dist 7.3406 4.69366 5.00128 9.91632 4.86901 6.05727 10.5044 5.09097 8.43057 4.63549 numMergedOcc 0
48 mol 261 unq 2 iso 0 dist 9.15672 4.69366 6.58604 12.5834 10.3517 8.02547 10.5044 11.9784 8.43057 10.0727 numMergedOcc 0
49 mol 261 unq 2 iso 1 dist 9.15672 4.69366 6.58604 10.5044 11.9784 8.43057 12.5834 10.3517 8.02547 10.0727 numMergedOcc 0
50 mol 261 unq 3 iso 0 dist 9.15672 4.69366 6.58604 12.5834 10.3517 8.02547 9.91632 9.47323 6.05727 5.51688 numMergedOcc 0
51 mol 261 unq 3 iso 1 dist 9.15672 4.69366 6.58604 9.91632 9.47323 6.05727 12.5834 10.3517 8.02547 5.51688 numMergedOcc 0
52 mol 261 unq 3 iso 0 dist 9.15672 4.69366 6.58604 10.5044 11.9784 8.43057 9.91632 9.47323 6.05727 4.63549 numMergedOcc 0
53 mol 261 unq 3 iso 1 dist 9.15672 4.69366 6.58604 9.91632 9.47323 6.05727 10.5044 11.9784 8.43057 4.63549 numMergedOcc 0
