0 mol 10 unq 0 iso 0 dist 8.38836 6.02543 5.61051 11.1583 10.7565 6.77807 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.40479 8.24948 9.57743 13.3652 9.65174 7.7447 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.38831 8.24948 4.47891 13.3652 11.5255 7.7447 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 5.51624 7.8435 4.97727 12.5638 11.2834 6.67678 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.51624 7.8435 4.97727 12.4215 11.0824 7.24956 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 5.51624 7.8435 4.97727 5.99863 9.30843 8.28591 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 5.51624 7.8435 4.97727 6.15015 10.0605 9.40687 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 5.51624 5.99269 5.77343 5.99863 9.30843 5.35008 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 5.51624 5.99269 5.77343 6.15015 10.0605 8.84576 numMergedOcc 0
9 mol 93 unq 6 iso 0 dist 5.51624 5.71763 11.0802 5.99863 9.30843 8.30921 numMergedOcc 0
10 mol 93 unq 7 iso 0 dist 5.51624 5.71763 11.0802 6.15015 10.0605 7.39732 numMergedOcc 0
11 mol 93 unq 8 iso 0 dist 5.51624 5.71763 11.0802 10.9803 15.3416 9.67744 numMergedOcc 0
12 mol 93 unq 9 iso 0 dist 7.8674 7.8435 13.8087 12.5638 16.8123 6.67678 numMergedOcc 0
13 mol 93 unq 10 iso 0 dist 7.8674 7.8435 13.8087 12.4215 17.3928 7.24956 numMergedOcc 0
14 mol 93 unq 11 iso 0 dist 7.8674 7.8435 13.8087 5.99863 6.25522 8.28591 numMergedOcc 0
15 mol 93 unq 12 iso 0 dist 7.8674 7.8435 13.8087 6.15015 7.87145 9.40687 numMergedOcc 0
16 mol 93 unq 13 iso 0 dist 7.8674 5.99269 9.96831 5.99863 6.25522 5.35008 numMergedOcc 0
17 mol 93 unq 14 iso 0 dist 7.8674 5.99269 9.96831 6.15015 7.87145 8.84576 numMergedOcc 0
18 mol 93 unq 15 iso 0 dist 7.8674 5.71763 5.33894 5.99863 6.25522 8.30921 numMergedOcc 0
19 mol 93 unq 16 iso 0 dist 7.8674 5.71763 5.33894 6.15015 7.87145 7.39732 numMergedOcc 0
20 mol 93 unq 17 iso 0 dist 7.8674 5.71763 5.33894 10.9803 9.30914 9.67744 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.03035 9.6121 6.71103 10.7475 7.62197 4.55071 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 7.6968 9.6121 12.4868 10.7475 15.1131 4.55071 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.76594 6.78801 4.24991 9.93041 4.48699 8.49847 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.73236 8.68663 6.16103 5.42311 7.22 6.60366 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.60521 7.1069 10.6183 4.78989 5.42715 8.60651 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 6.39031 7.1069 4.71678 4.78989 7.34557 8.60651 numMergedOcc 0
27 mol 154 unq 0 iso 0 dist 9.14458 7.97022 9.30554 3.48213 11.5892 7.47401 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 9.75627 8.999 6.1593 11.6193 14.1672 9.68512 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.55358 8.57801 13.0608 9.28201 16.601 8.92135 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 7.60991 8.57801 11.868 9.28201 15.3973 8.92135 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 8.12349 8.31881 6.38897 9.09659 13.3578 9.34653 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 8.12349 7.04815 9.57029 6.50208 11.6111 6.94594 numMergedOcc 0
33 mol 186 unq 4 iso 0 dist 8.12349 7.04815 9.57029 6.3786 9.12783 5.81881 numMergedOcc 0
34 mol 186 unq 5 iso 0 dist 8.12349 6.07389 10.8203 8.54557 13.9314 9.4366 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 9.81666 5.53324 11.0713 7.82899 8.2232 4.45769 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 9.81666 5.53324 11.0713 10.0237 10.3448 5.89939 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 6.53728 9.87668 6.35462 13.9338 14.0772 8.74463 numMergedOcc 0
40 mol 251 unq 0 iso 0 dist 8.53757 6.42747 8.08775 10.3735 10.3962 7.72528 numMergedOcc 0
41 mol 252 unq 0 iso 0 dist 8.55481 5.9974 4.34126 6.33781 11.6079 7.62991 numMergedOcc 0
42 mol 252 unq 1 iso 0 dist 8.55481 5.9974 4.34126 14.8966 8.38453 9.81261 numMergedOcc 0
43 mol 260 unq 0 iso 0 dist 8.3149 9.65775 13.067 4.05076 4.64695 9.73217 numMergedOcc 0
44 mol 260 unq 1 iso 0 dist 8.3149 9.50634 5.38958 4.05076 4.64695 7.49606 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 5.74568 7.14086 7.36132 9.4435 13.784 8.55386 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 5.74568 6.02757 5.82131 8.89888 12.5209 9.87744 numMergedOcc 0
