0 mol 26 unq 0 iso 0 dist 9.5053 6.38243 4.76998 12.4814 9.11311 8.97754 11.5353 4.36675 5.29055 9.82851 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 7.62611 7.8435 14.9656 5.99863 11.2438 8.28591 10.4115 10.2756 14.433 7.48947 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 7.62611 5.99269 11.5397 5.99863 11.2438 5.35008 10.4115 10.2756 9.54244 7.48947 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 7.62611 5.71763 5.43515 5.99863 11.2438 8.30921 10.4115 10.2756 9.86691 7.48947 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.8562 9.6121 12.8661 10.7475 14.3143 4.55071 16.0882 18.3343 10.3622 6.21165 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.91683 9.6121 13.3563 10.7475 16.435 4.55071 16.0882 22.4968 10.3622 6.21165 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.50562 6.78801 10.9311 9.93041 13.2907 8.49847 5.44303 5.37172 6.11089 8.47526 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.30061 8.48313 16.1483 12.7348 21.0045 4.94473 14.687 21.3665 6.32315 5.13405 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 5.8628 5.48379 4.09908 6.02991 4.6512 6.77583 12.1658 6.5476 9.81176 9.45696 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.46987 8.57801 6.18065 9.28201 8.72743 8.92135 15.9486 14.6052 10.6999 9.31569 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 4.5271 6.07389 5.65634 8.54557 11.9345 9.4366 7.02575 6.68665 3.87082 8.2241 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 7.02575 7.04815 8.65911 6.50208 12.4962 6.94594 4.5271 6.68665 3.87169 7.37629 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 7.02575 7.04815 8.65911 6.3786 11.8931 5.81881 4.5271 6.68665 3.87169 5.68985 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 5.95375 7.53395 7.25932 6.72925 9.17562 4.97301 9.90954 12.0318 5.28417 5.59832 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 9.08955 7.97027 4.67663 3.98816 9.30639 6.39673 8.88664 6.85131 4.00869 6.24462 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 9.08955 7.97027 4.67663 3.98816 9.30639 6.39673 7.16819 6.76935 6.23984 6.02034 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 9.08955 4.9876 6.37382 3.98816 9.30639 7.80676 8.88664 6.85131 9.60662 6.24462 numMergedOcc 0
17 mol 222 unq 3 iso 0 dist 9.08955 4.9876 6.37382 3.98816 9.30639 7.80676 7.16819 6.76935 7.13962 6.02034 numMergedOcc 0
18 mol 222 unq 4 iso 0 dist 8.88664 7.97027 4.00869 3.98816 6.24462 6.39673 9.08955 6.85131 4.67663 9.30639 numMergedOcc 0
19 mol 222 unq 5 iso 0 dist 8.88664 7.97027 4.00869 3.98816 6.24462 6.39673 7.16819 4.19322 6.23984 6.02034 numMergedOcc 0
20 mol 222 unq 6 iso 0 dist 8.88664 4.9876 9.60662 3.98816 6.24462 7.80676 9.08955 6.85131 6.37382 9.30639 numMergedOcc 0
21 mol 222 unq 7 iso 0 dist 8.88664 4.9876 9.60662 3.98816 6.24462 7.80676 7.16819 4.19322 7.13962 6.02034 numMergedOcc 0
22 mol 222 unq 8 iso 0 dist 7.16819 7.97027 6.23984 3.98816 6.02034 6.39673 9.08955 6.76935 4.67663 9.30639 numMergedOcc 0
23 mol 222 unq 9 iso 0 dist 7.16819 7.97027 6.23984 3.98816 6.02034 6.39673 8.88664 4.19322 4.00869 6.24462 numMergedOcc 0
24 mol 222 unq 10 iso 0 dist 7.16819 4.9876 7.13962 3.98816 6.02034 7.80676 9.08955 6.76935 6.37382 9.30639 numMergedOcc 0
25 mol 222 unq 11 iso 0 dist 7.16819 4.9876 7.13962 3.98816 6.02034 7.80676 8.88664 4.19322 9.60662 6.24462 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.16947 8.94601 8.85284 8.03918 10.6578 4.27826 6.74142 3.87957 6.3633 8.79261 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 8.16947 8.94601 8.85284 11.1127 10.4333 5.82074 6.74142 3.87957 6.3633 9.99125 numMergedOcc 0
