0 mol 24 unq 0 iso 0 dist 9.40479 8.24948 9.57743 13.3652 9.65174 7.7447 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.38831 8.24948 4.47891 15.0537 9.41655 12.089 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.38831 8.24948 4.47891 12.8421 6.803 10.4905 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.58012 7.96195 5.11135 6.79749 9.65174 10.3921 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.31982 7.24352 4.69849 6.59887 9.82307 12.2699 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.51624 7.8435 4.97727 5.99863 9.30843 8.28591 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.51624 5.99269 5.77343 5.99863 9.30843 5.35008 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 5.51624 5.71763 11.0802 5.99863 9.30843 8.30921 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.8674 6.18348 7.92049 10.2139 6.46217 10.7925 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 7.8674 7.8435 13.8087 5.99863 6.25522 8.28591 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 7.8674 7.8435 13.8087 6.15015 7.87145 9.40687 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 7.8674 7.8435 13.8087 10.9803 9.30914 14.4367 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 7.8674 5.99269 9.96831 5.99863 6.25522 5.35008 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 7.8674 5.99269 9.96831 6.15015 7.87145 8.84576 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 7.8674 5.99269 9.96831 10.9803 9.30914 13.704 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 7.8674 5.71763 5.33894 5.99863 6.25522 8.30921 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 7.8674 5.71763 5.33894 6.15015 7.87145 7.39732 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 7.8674 5.71763 5.33894 10.9803 9.30914 9.67744 numMergedOcc 0
18 mol 105 unq 0 iso 0 dist 8.44437 7.44838 9.02856 8.03743 9.09664 13.8628 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.03035 9.6121 6.71103 10.7475 7.62197 4.55071 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.03035 9.57341 6.29394 10.7475 7.62197 12.3503 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 7.76594 6.78801 4.24991 9.93041 4.48699 8.49847 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 6.98813 7.19291 7.10913 12.005 8.3735 15.1961 numMergedOcc 0
23 mol 140 unq 1 iso 0 dist 6.98813 6.66504 6.30391 12.005 8.3735 13.5273 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.73236 7.16698 6.55089 5.42311 7.22 11.0026 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 5.73236 8.68663 6.16103 5.42311 7.22 6.60366 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.60521 7.1069 10.6183 4.78989 5.42715 8.60651 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 8.60521 7.1069 10.6183 9.43672 9.70575 10.6225 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 8.60521 6.09987 5.55763 13.909 9.48674 12.0843 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 6.39031 7.1069 4.71678 4.78989 7.34557 8.60651 numMergedOcc 0
30 mol 152 unq 4 iso 0 dist 6.39031 6.92726 5.55763 6.69469 9.48674 12.0843 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 9.05835 7.32888 6.19242 6.55448 9.12454 11.4796 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.12349 7.04815 9.57029 6.3786 9.12783 5.81881 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.12349 6.07389 10.8203 6.3786 9.12783 9.84648 numMergedOcc 0
34 mol 193 unq 0 iso 0 dist 6.22972 7.39445 9.42379 5.43768 7.06636 11.8407 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 5.52678 5.53324 5.28603 7.82899 5.13892 4.45769 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 5.52678 5.53324 5.28603 10.0237 5.78717 5.89939 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 5.52678 6.72182 9.8803 7.82899 5.13892 12.9621 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 5.52678 6.72182 9.8803 10.0237 5.78717 13.7206 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 9.81666 5.53324 11.0713 7.82899 8.2232 4.45769 numMergedOcc 0
40 mol 194 unq 5 iso 0 dist 9.81666 6.72182 15.9964 7.82899 8.2232 12.9621 numMergedOcc 0
41 mol 237 unq 0 iso 0 dist 9.84466 8.7414 9.39277 8.0982 9.61703 14.7819 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 9.60364 7.22664 8.9822 6.28121 8.62514 10.603 numMergedOcc 0
43 mol 250 unq 1 iso 0 dist 9.60364 7.15762 11.5018 6.28121 8.62514 12.8866 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 8.55481 5.9974 4.34126 14.8966 8.38453 9.81261 numMergedOcc 0
45 mol 260 unq 0 iso 0 dist 8.3149 9.65775 13.067 4.05076 4.64695 9.73217 numMergedOcc 0
46 mol 260 unq 1 iso 0 dist 8.3149 9.50634 5.38958 4.05076 4.64695 7.49606 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 5.74568 6.02757 5.82131 7.06901 8.78525 12.2745 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 5.74568 8.67231 9.58444 7.06901 8.78525 15.5825 numMergedOcc 0
