0 mol 11 unq 0 iso 0 dist 6.859 6.76736 9.89425 7.98326 9.74251 9.81983 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.60614 10.086 5.7147 10.4058 5.33641 6.31608 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.85784 4.11146 9.58192 5.95834 11.6859 5.9372 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.85784 4.11146 9.58192 4.2121 11.076 6.93597 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.81793 12.5394 8.97754 10.157 5.29055 9.82851 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.81793 12.5394 8.97754 6.56527 4.76998 9.11311 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.98985 16.2325 8.71074 11.3554 5.75753 9.87699 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.77084 5.84075 9.04293 9.78384 3.99035 6.86517 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.77084 5.84075 9.04293 4.93468 6.69352 8.33791 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.02443 6.07693 8.18375 8.03296 3.81317 6.2576 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 8.02443 6.07693 8.18375 5.82754 4.08868 8.96069 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 8.02443 6.07693 8.18375 8.87742 6.06691 7.56495 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 9.09458 5.25584 8.18375 9.26979 3.81317 6.2576 numMergedOcc 0
13 mol 79 unq 6 iso 0 dist 9.09458 5.25584 8.18375 9.05679 4.08868 8.96069 numMergedOcc 0
14 mol 79 unq 7 iso 0 dist 9.09458 5.25584 8.18375 4.93468 6.06691 7.56495 numMergedOcc 0
15 mol 79 unq 8 iso 0 dist 6.5551 5.84075 4.78333 9.78384 4.53016 6.86517 numMergedOcc 0
16 mol 79 unq 9 iso 0 dist 6.5551 5.84075 4.78333 4.93468 6.0749 8.33791 numMergedOcc 0
17 mol 79 unq 10 iso 0 dist 6.5551 5.41884 4.74254 4.93468 6.0749 7.38548 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 5.05893 5.22259 4.29937 11.5179 10.797 9.13593 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 5.05893 7.66499 5.37869 11.5179 10.797 8.25144 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 5.71866 5.22259 3.65628 11.5179 7.04693 9.13593 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 5.71866 7.66499 4.05415 11.5179 7.04693 8.25144 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 9.19977 15.6931 8.28591 22.7414 14.433 7.48947 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 7.28831 13.5809 8.28591 20.0356 14.433 7.48947 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 9.71411 10.6039 8.28591 17.6392 14.433 7.48947 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 7.75314 4.94367 8.49847 5.87084 6.11089 8.47526 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 7.83568 14.5488 6.76852 10.5367 4.07076 5.13405 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 7.58337 10.3222 5.95801 16.4417 9.84473 6.90583 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 7.58337 17.5034 9.92715 16.4417 9.84473 6.75593 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 9.85438 7.27069 7.0961 10.0169 12.6805 6.12453 numMergedOcc 0
30 mol 168 unq 1 iso 0 dist 9.85438 4.51252 8.26768 10.0169 12.6805 9.87447 numMergedOcc 0
31 mol 168 unq 2 iso 0 dist 9.42807 7.27069 8.21227 10.0169 4.02702 6.12453 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 7.58375 4.12242 5.23187 7.54099 4.67256 7.02762 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 6.88127 13.2309 9.34653 17.3602 12.7314 5.25762 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.31721 10.4367 7.88986 12.3343 5.19196 6.81516 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 8.31721 5.27881 7.4185 11.6403 6.9508 7.24614 numMergedOcc 0
