0 mol 28 unq 0 iso 0 dist 8.24316 4.3475 7.7871 9.77719 11.0435 9.2146 6.76158 11.1346 8.53424 16.4255 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 4.3475 7.7871 9.77719 11.0435 9.2146 7.423 10.8275 7.08766 16.0765 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 4.3475 7.7871 9.77719 11.0435 9.2146 5.89257 7.90018 4.82199 13.6412 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 14.0783 9.57893 8.14245 5.43784 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 15.9127 12.6437 6.36817 9.7018 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 18.2411 12.0687 8.0812 8.95384 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 13.1628 7.88988 4.17933 4.57947 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.49678 11.6027 8.10222 12.4893 5.75684 7.70645 14.3835 8.00934 5.54893 4.60843 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 9.1747 11.8271 6.89855 14.53 5.74753 8.78414 11.3289 5.04771 8.14512 4.73277 numMergedOcc 0
9 mol 63 unq 1 iso 0 dist 9.1747 11.8271 6.89855 14.53 5.74753 8.78414 16.6397 9.54378 9.13228 10.1907 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.68303 3.97203 5.26566 10.1526 9.4465 8.71074 6.82511 5.08181 7.7485 7.18877 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.08674 6.27527 5.91098 14.8387 13.363 9.57759 8.26805 11.6853 7.66068 9.50354 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.08674 6.27527 5.91098 14.8387 13.363 9.57759 9.68577 15.0489 9.5043 12.0331 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 8.08674 6.27527 5.91098 14.8387 13.363 9.57759 11.3425 14.2393 8.34132 9.2434 numMergedOcc 0
14 mol 76 unq 3 iso 0 dist 8.33694 6.27527 4.86523 14.8387 7.37421 9.57759 8.26805 4.94673 7.66068 9.50354 numMergedOcc 0
15 mol 76 unq 4 iso 0 dist 8.33694 6.27527 4.86523 14.8387 7.37421 9.57759 9.68577 5.78236 9.5043 12.0331 numMergedOcc 0
16 mol 76 unq 5 iso 0 dist 8.33694 6.27527 4.86523 14.8387 7.37421 9.57759 11.3425 4.73151 8.34132 9.2434 numMergedOcc 0
17 mol 90 unq 0 iso 0 dist 8.60438 4.3421 8.63446 7.15918 6.55381 7.62463 7.30934 4.77556 5.24346 5.4118 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.88346 6.03327 5.33772 10.8829 7.11802 6.60366 5.24882 5.08025 4.3855 5.94217 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.7874 14.6013 9.53899 17.5596 10.0389 7.66702 14.1678 6.49466 7.42759 3.64285 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 8.22257 15.6949 9.84028 16.0288 8.2786 5.6417 15.6414 11.4342 7.85841 8.8967 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 8.22257 15.6949 9.84028 16.0288 8.2786 5.6417 13.7356 11.2466 9.20109 10.929 numMergedOcc 0
22 mol 254 unq 2 iso 0 dist 8.22257 15.6949 9.84028 13.2089 5.20737 7.42831 15.6414 11.4342 7.85841 9.42679 numMergedOcc 0
23 mol 254 unq 3 iso 0 dist 8.22257 15.6949 9.84028 13.2089 5.20737 7.42831 13.7356 11.2466 9.20109 10.706 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.16772 4.38276 6.90472 8.52702 4.35925 9.73217 7.13397 11.9315 8.62655 15.6308 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.16772 4.38276 6.90472 9.85302 13.8859 7.49606 7.13397 11.9315 8.62655 7.35802 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 5.16772 4.38276 6.90472 11.1504 13.5662 8.06377 7.13397 11.9315 8.62655 10.4054 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.51286 4.58167 6.48382 6.61768 7.90149 8.20376 6.9943 5.79323 6.96692 3.68488 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.51286 4.58167 6.48382 6.61768 7.90149 8.20376 7.36685 7.52317 8.25286 3.14784 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 9.51286 4.58167 6.48382 6.61768 7.90149 8.20376 9.03099 9.52953 9.9965 5.95721 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 6.92271 9.69757 4.1545 8.20902 6.65084 5.13533 7.34927 5.11865 7.98956 10.5214 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 8.62666 7.55695 4.1545 9.55813 6.65084 5.13533 7.54315 5.11865 7.98956 10.5214 numMergedOcc 0
