0 mol 9 unq 0 iso 0 dist 8.47421 8.55451 5.66192 11.4878 7.2199 12.6418 12.6047 6.27573 9.75978 6.9513 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 8.55451 5.66192 11.4878 7.2199 12.6418 14.9473 11.1737 14.121 9.16116 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.47421 8.55451 5.66192 11.4878 7.2199 12.6418 16.8226 10.9842 16.1888 8.47109 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 12.6047 6.27573 8.25089 6.9513 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 14.9473 11.1737 12.0874 9.16116 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 16.8226 10.9842 14.6279 8.47109 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 6.89191 8.59109 13.126 14.4997 14.5783 19.934 8.13782 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 15.6951 14.5783 11.9463 8.59109 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 10.9482 6.44201 16.9237 6.96494 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 14.3086 6.44201 19.9107 6.50297 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 14.3086 6.44201 14.4682 6.50297 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 10.0983 4.64409 12.6041 8.59747 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 10.4676 4.64409 12.6041 8.59747 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 9.25235 4.61166 10.8763 6.65776 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 8.66514 4.61166 7.15936 7.71582 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 12.1324 9.86739 10.4222 17.4431 12.0339 15.3737 9.49413 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 12.0409 9.37623 6.04071 7.99631 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 15.487 10.8776 14.7017 8.55681 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 11.1059 8.74171 11.2873 14.1277 7.39803 10.3053 6.85195 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 12.2579 8.74171 12.1094 12.5357 7.39803 8.78814 6.85195 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 7.47048 6.75035 12.5343 10.9531 8.16398 10.2759 8.57853 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 10.0414 6.88258 16.0684 8.89778 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 17.6316 14.0478 13.317 7.51827 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 6.95902 8.55671 4.09934 7.95168 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 13.4493 8.55671 11.5454 6.152 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 9.62609 8.55671 11.5454 6.152 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 10.475 9.35875 6.45373 5.32183 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 11.8897 9.35875 11.8229 9.6101 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 7.67322 5.44694 9.75095 6.5772 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 13.5581 10.6286 11.7709 8.70193 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 7.19008 10.1756 6.12722 6.17025 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 11.3465 13.0634 12.1711 9.0378 numMergedOcc 0
32 mol 238 unq 4 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 7.02475 5.44694 13.037 6.65088 numMergedOcc 0
33 mol 238 unq 5 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 13.5581 6.32518 11.7709 8.70193 numMergedOcc 0
34 mol 238 unq 6 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 7.19008 9.50847 6.12722 6.17025 numMergedOcc 0
35 mol 238 unq 7 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 11.3465 14.4744 12.1711 9.0378 numMergedOcc 0
36 mol 238 unq 8 iso 0 dist 5.9216 8.82351 4.40419 10.438 8.70193 12.5268 14.942 10.6286 13.0845 6.65088 numMergedOcc 0
37 mol 238 unq 9 iso 0 dist 5.9216 8.82351 4.40419 10.438 8.70193 12.5268 10.7532 6.32518 9.32851 6.5772 numMergedOcc 0
38 mol 238 unq 10 iso 0 dist 5.9216 8.82351 4.40419 10.438 8.70193 12.5268 12.746 12.6266 16.9261 6.17025 numMergedOcc 0
39 mol 238 unq 11 iso 0 dist 5.9216 8.82351 4.40419 10.438 8.70193 12.5268 17.0637 17.3008 21.4077 9.0378 numMergedOcc 0
40 mol 238 unq 12 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 7.02475 10.1756 13.037 6.65088 numMergedOcc 0
41 mol 238 unq 13 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 7.67322 9.50847 9.75095 6.5772 numMergedOcc 0
42 mol 238 unq 14 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 13.5581 12.6266 11.7709 8.70193 numMergedOcc 0
43 mol 238 unq 15 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 11.3465 6.34909 12.1711 9.0378 numMergedOcc 0
44 mol 250 unq 0 iso 0 dist 8.80086 6.59244 6.0473 11.0402 7.88284 12.379 11.0437 6.59053 9.80613 5.94383 numMergedOcc 0
45 mol 250 unq 1 iso 0 dist 8.80086 6.59244 6.0473 7.26274 9.88279 11.304 11.0437 6.59053 9.80613 8.16469 numMergedOcc 0
