0 mol 24 unq 0 iso 0 dist 9.7649 10.5243 8.25818 18.0177 14.3151 7.61183 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 10.2093 8.25818 17.6317 14.3151 7.61183 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 10.8301 8.53424 14.6111 9.64948 5.42412 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 10.0008 7.08766 14.6111 9.64948 8.09862 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 10.0008 7.08766 12.471 10.1805 8.97167 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 9.56722 7.55139 4.82199 14.6111 9.64948 8.89114 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 9.56722 7.55139 4.82199 12.471 10.1805 8.8182 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.48328 12.3188 8.96151 14.5828 7.0331 7.33788 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 14.9724 10.4499 8.52681 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 6.77802 3.42062 9.05737 7.99735 9.165 7.90416 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.49792 3.70802 4.46067 6.30202 7.90686 7.01397 numMergedOcc 0
11 mol 62 unq 1 iso 0 dist 6.58981 3.66673 4.46067 10.1974 7.90686 7.01397 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.63792 8.58059 7.66068 9.76901 8.58474 9.50939 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 11.8447 7.86077 7.50229 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 6.00684 4.15002 6.64921 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 9.37034 4.8069 8.67342 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.15861 3.81285 6.67137 6.60091 10.0178 5.73739 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 9.37034 4.8069 8.60062 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 6.60091 10.0178 5.16225 numMergedOcc 0
19 mol 90 unq 0 iso 0 dist 6.77993 3.79142 5.24346 9.69413 6.65219 7.01987 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.46616 13.1376 9.29327 14.731 5.38685 9.87557 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.14978 9.809 4.88514 13.7623 6.1672 5.28634 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 9.9329 6.18105 6.52283 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 9.9329 6.18105 7.97305 numMergedOcc 0
24 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 9.9329 6.86255 6.52283 numMergedOcc 0
25 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 9.9329 6.86255 7.97305 numMergedOcc 0
26 mol 176 unq 0 iso 0 dist 9.40603 3.75017 8.65645 12.2516 12.3453 9.60931 numMergedOcc 0
27 mol 176 unq 1 iso 0 dist 8.00223 3.84631 6.85902 7.36833 11.2094 9.60931 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 5.65735 6.46348 9.54529 10.9199 11.0751 6.35772 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 8.7499 5.97893 9.80479 7.91999 5.38659 8.18379 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 5.28746 9.23405 6.96692 8.65743 4.39553 9.90506 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 5.28746 9.23405 6.96692 8.02607 3.94797 9.03341 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 5.28746 11.313 8.25286 10.3532 7.63149 6.39822 numMergedOcc 0
33 mol 266 unq 3 iso 0 dist 5.28746 11.313 8.25286 8.65743 4.39553 8.61077 numMergedOcc 0
34 mol 266 unq 4 iso 0 dist 5.28746 13.005 9.9965 10.3532 7.63149 5.36518 numMergedOcc 0
35 mol 266 unq 5 iso 0 dist 5.28746 13.005 9.9965 8.65743 4.39553 9.11585 numMergedOcc 0
36 mol 266 unq 6 iso 0 dist 7.43884 12.3524 9.9965 17.0746 16.6916 7.74133 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 7.90993 12.4082 9.39268 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 7.43535 3.86368 7.90368 12.6298 15.8562 9.06888 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 8.15636 11.4888 6.24487 10.6725 5.1451 5.44942 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.9495 7.5241 8.53689 numMergedOcc 0
41 mol 287 unq 2 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 numMergedOcc 0
42 mol 287 unq 3 iso 0 dist 9.14217 9.84883 4.68668 10.457 5.13698 5.55176 numMergedOcc 0
43 mol 288 unq 0 iso 0 dist 8.15636 11.4888 6.24487 10.6725 5.1451 5.44942 numMergedOcc 0
44 mol 288 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.9495 7.5241 8.53689 numMergedOcc 0
45 mol 288 unq 2 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 numMergedOcc 0
46 mol 288 unq 3 iso 0 dist 9.14217 9.84883 4.68668 10.457 5.13698 5.55176 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 8.15636 11.4888 6.24487 10.6725 5.1451 5.44942 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.9495 7.5241 8.53689 numMergedOcc 0
49 mol 289 unq 2 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 numMergedOcc 0
50 mol 289 unq 3 iso 0 dist 9.14217 9.84883 4.68668 10.457 5.13698 5.55176 numMergedOcc 0
