0 mol 10 unq 0 iso 0 dist 5.40169 6.02543 3.92592 11.1583 9.85732 6.77807 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.5053 6.38243 4.76998 12.4814 9.11311 8.97754 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.62229 6.87028 5.45005 6.21346 6.41008 9.10675 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 5.53589 7.4515 6.23298 8.45456 11.219 8.78414 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.40693 8.05514 10.3533 13.0221 15.2743 8.19932 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.62611 7.8435 14.9656 12.5638 20.1017 6.67678 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.62611 7.8435 14.9656 12.4215 20.0375 7.24956 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.62611 7.8435 14.9656 5.99863 11.2438 8.28591 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.62611 7.8435 14.9656 6.15015 12.0199 9.40687 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 7.62611 5.99269 11.5397 5.99863 11.2438 5.35008 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 7.62611 5.99269 11.5397 6.15015 12.0199 8.84576 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 7.62611 5.71763 5.43515 5.99863 11.2438 8.30921 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 7.62611 5.71763 5.43515 6.15015 12.0199 7.39732 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 7.62611 5.71763 5.43515 10.9803 14.9939 9.67744 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.8562 9.6121 12.8661 10.7475 14.3143 4.55071 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.91683 9.6121 13.3563 10.7475 16.435 4.55071 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 5.44303 6.78801 6.11089 9.93041 8.47526 8.49847 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.50562 6.78801 10.9311 9.93041 13.2907 8.49847 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.30061 8.48313 16.1483 12.7348 21.0045 4.94473 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.95372 8.68663 4.06908 5.42311 7.2932 6.60366 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 5.8628 5.48379 4.09908 6.02991 4.6512 6.77583 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.46987 8.57801 6.18065 9.28201 8.72743 8.92135 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 4.5271 7.04815 3.87169 6.50208 7.37629 6.94594 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 4.5271 7.04815 3.87169 6.3786 5.68985 5.81881 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 4.5271 6.07389 5.65634 8.54557 11.9345 9.4366 numMergedOcc 0
25 mol 186 unq 4 iso 0 dist 7.02575 7.04815 8.65911 6.50208 12.4962 6.94594 numMergedOcc 0
26 mol 186 unq 5 iso 0 dist 7.02575 7.04815 8.65911 6.3786 11.8931 5.81881 numMergedOcc 0
27 mol 186 unq 6 iso 0 dist 7.02575 6.07389 3.87082 8.54557 8.2241 9.4366 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 5.68348 5.53324 4.002 7.82899 8.13022 4.45769 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 5.68348 5.53324 4.002 10.0237 9.82667 5.89939 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 5.95375 7.53395 7.25932 6.72925 9.17562 4.97301 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 9.08955 7.97027 4.67663 9.06039 13.4403 9.79673 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 9.08955 7.97027 4.67663 3.98816 9.30639 6.39673 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 9.08955 4.9876 6.37382 3.98816 9.30639 7.80676 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 8.88664 7.97027 4.00869 9.06039 11.7093 9.79673 numMergedOcc 0
35 mol 222 unq 4 iso 0 dist 8.88664 7.97027 4.00869 3.98816 6.24462 6.39673 numMergedOcc 0
36 mol 222 unq 5 iso 0 dist 8.88664 4.9876 9.60662 3.98816 6.24462 7.80676 numMergedOcc 0
37 mol 222 unq 6 iso 0 dist 7.16819 7.97027 6.23984 9.06039 13.2474 9.79673 numMergedOcc 0
38 mol 222 unq 7 iso 0 dist 7.16819 7.97027 6.23984 3.98816 6.02034 6.39673 numMergedOcc 0
39 mol 222 unq 8 iso 0 dist 7.16819 4.9876 7.13962 3.98816 6.02034 7.80676 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 9.23935 9.87668 18.9885 13.9338 22.4301 8.74463 numMergedOcc 0
41 mol 225 unq 1 iso 0 dist 7.77552 9.87668 17.5145 13.9338 19.67 8.74463 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.21655 7.14086 13.0036 9.4435 11.5459 8.55386 numMergedOcc 0
43 mol 279 unq 0 iso 0 dist 9.30921 5.8304 11.0079 7.93548 15.5412 4.98693 numMergedOcc 0
44 mol 285 unq 0 iso 0 dist 8.16947 8.94601 8.85284 8.03918 10.6578 4.27826 numMergedOcc 0
45 mol 285 unq 1 iso 0 dist 8.16947 8.94601 8.85284 11.1127 10.4333 5.82074 numMergedOcc 0
46 mol 285 unq 2 iso 0 dist 6.74142 8.94601 6.3633 8.03918 8.79261 4.27826 numMergedOcc 0
47 mol 285 unq 3 iso 0 dist 6.74142 8.94601 6.3633 11.1127 9.99125 5.82074 numMergedOcc 0
