0 mol 20 unq 0 iso 0 dist 6.81416 6.98731 8.72023 5.06894 8.25405 5.48225 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 4.18634 6.73167 8.25132 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.8533 10.1933 5.69955 13.421 7.40948 4.94205 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.8533 11.9181 8.6385 4.18634 6.73167 7.73394 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.8533 11.9181 8.6385 13.421 7.40948 7.42064 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 6.87744 10.4881 5.69955 12.7209 6.73167 8.25132 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 6.87744 10.4881 5.69955 9.09086 7.40948 4.94205 numMergedOcc 0
7 mol 26 unq 6 iso 0 dist 6.87744 10.4441 8.6385 12.7209 6.73167 7.73394 numMergedOcc 0
8 mol 26 unq 7 iso 0 dist 6.87744 10.4441 8.6385 9.09086 7.40948 7.42064 numMergedOcc 0
9 mol 26 unq 8 iso 0 dist 7.2612 5.2549 8.44506 6.75443 6.38243 7.11305 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 9.17687 14.4151 9.93832 5.34976 7.24352 10.8828 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 9.17687 10.3283 8.60739 5.34976 7.24352 5.07458 numMergedOcc 0
12 mol 51 unq 0 iso 0 dist 8.75256 5.24913 7.76282 4.22382 7.40639 4.146 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.9819 4.9102 6.43433 10.5025 5.43933 10.5563 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 5.9819 4.9102 6.43433 9.50897 4.99604 6.95317 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 5.9819 4.9102 6.43433 13.6247 9.97483 13.5094 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 5.9819 4.9102 6.43433 4.9759 7.44041 6.75738 numMergedOcc 0
17 mol 112 unq 4 iso 0 dist 5.9819 6.84034 9.92283 10.5025 5.43933 12.6108 numMergedOcc 0
18 mol 112 unq 5 iso 0 dist 5.9819 6.84034 9.92283 9.50897 4.99604 10.9279 numMergedOcc 0
19 mol 112 unq 6 iso 0 dist 5.9819 6.84034 9.92283 13.6247 9.97483 13.764 numMergedOcc 0
20 mol 112 unq 7 iso 0 dist 5.9819 6.84034 9.92283 4.9759 7.44041 5.43385 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.08064 8.14279 8.56003 10.9048 9.05336 6.11469 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 5.8367 11.9678 7.36779 4.4987 8.48313 14.2036 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 5.8367 11.9678 7.36779 4.72407 6.99345 10.092 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 5.8367 11.9678 7.36779 7.97297 5.11043 4.46337 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 5.8367 13.0109 8.20836 4.4987 8.48313 16.4114 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 5.8367 13.0109 8.20836 4.72407 6.99345 12.8086 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 5.8367 13.0109 8.20836 7.97297 5.11043 7.41373 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 16.9762 9.13027 11.8244 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.9762 9.13027 13.9189 numMergedOcc 0
30 mol 171 unq 2 iso 0 dist 9.95454 16.1675 9.86681 16.9762 9.13027 8.25926 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 9.54898 6.34234 5.41635 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 8.22643 4.98231 6.60567 11.5968 7.87972 11.9954 numMergedOcc 0
33 mol 195 unq 2 iso 0 dist 8.22643 13.577 7.62942 9.54898 6.34234 6.04871 numMergedOcc 0
34 mol 195 unq 3 iso 0 dist 8.22643 13.577 7.62942 11.5968 7.87972 8.04534 numMergedOcc 0
35 mol 196 unq 0 iso 0 dist 8.93322 8.40781 8.20691 4.54075 6.25813 6.29158 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 5.33789 9.81415 9.18635 10.2325 8.8864 5.33039 numMergedOcc 0
37 mol 198 unq 1 iso 0 dist 5.33789 9.81415 9.18635 8.89394 8.12201 10.1469 numMergedOcc 0
38 mol 198 unq 2 iso 0 dist 5.33789 9.81415 9.18635 4.91277 5.45162 5.76471 numMergedOcc 0
39 mol 198 unq 3 iso 0 dist 5.33789 5.21925 8.10985 10.2325 8.8864 9.76488 numMergedOcc 0
40 mol 198 unq 4 iso 0 dist 5.33789 5.21925 8.10985 8.89394 8.12201 6.0599 numMergedOcc 0
41 mol 198 unq 5 iso 0 dist 5.33789 5.21925 8.10985 4.91277 5.45162 6.05382 numMergedOcc 0
42 mol 198 unq 6 iso 0 dist 7.27215 6.05803 9.18635 9.78748 8.8864 5.33039 numMergedOcc 0
43 mol 198 unq 7 iso 0 dist 7.27215 6.05803 9.18635 12.0849 8.12201 10.1469 numMergedOcc 0
44 mol 198 unq 8 iso 0 dist 7.27215 6.05803 9.18635 6.12389 5.45162 5.76471 numMergedOcc 0
45 mol 198 unq 9 iso 0 dist 7.27215 10.854 8.10985 9.78748 8.8864 9.76488 numMergedOcc 0
46 mol 198 unq 10 iso 0 dist 7.27215 10.854 8.10985 12.0849 8.12201 6.0599 numMergedOcc 0
47 mol 198 unq 11 iso 0 dist 7.27215 10.854 8.10985 6.12389 5.45162 6.05382 numMergedOcc 0
48 mol 207 unq 0 iso 0 dist 5.86317 7.31502 8.32218 7.22657 8.78061 14.0642 numMergedOcc 0
49 mol 207 unq 1 iso 0 dist 5.86317 5.6688 7.96797 7.22657 8.78061 4.56899 numMergedOcc 0
50 mol 229 unq 0 iso 0 dist 7.09453 9.84917 8.92743 5.06475 6.42694 11.0437 numMergedOcc 0
51 mol 229 unq 1 iso 0 dist 7.09453 9.84917 8.92743 10.6529 7.63917 11.9989 numMergedOcc 0
52 mol 229 unq 2 iso 0 dist 7.09453 6.89 8.08082 5.06475 6.42694 5.66641 numMergedOcc 0
53 mol 229 unq 3 iso 0 dist 7.09453 6.89 8.08082 10.6529 7.63917 7.4175 numMergedOcc 0
54 mol 229 unq 4 iso 0 dist 7.09453 9.68525 5.77318 5.06475 6.42694 7.46815 numMergedOcc 0
55 mol 229 unq 5 iso 0 dist 7.09453 9.68525 5.77318 10.6529 7.63917 5.37687 numMergedOcc 0
56 mol 229 unq 6 iso 0 dist 7.09453 10.7618 8.19603 5.06475 6.42694 6.62766 numMergedOcc 0
57 mol 229 unq 7 iso 0 dist 7.09453 10.7618 8.19603 10.6529 7.63917 6.03803 numMergedOcc 0
58 mol 229 unq 8 iso 0 dist 8.69109 15.4506 8.92743 5.21449 6.42694 11.0437 numMergedOcc 0
59 mol 229 unq 9 iso 0 dist 8.69109 15.4506 8.92743 9.57165 7.63917 11.9989 numMergedOcc 0
60 mol 229 unq 10 iso 0 dist 8.69109 10.808 8.08082 5.21449 6.42694 5.66641 numMergedOcc 0
61 mol 229 unq 11 iso 0 dist 8.69109 10.808 8.08082 9.57165 7.63917 7.4175 numMergedOcc 0
62 mol 229 unq 12 iso 0 dist 8.69109 11.9018 5.77318 5.21449 6.42694 7.46815 numMergedOcc 0
63 mol 229 unq 13 iso 0 dist 8.69109 11.9018 5.77318 9.57165 7.63917 5.37687 numMergedOcc 0
64 mol 229 unq 14 iso 0 dist 8.69109 5.93705 8.19603 5.21449 6.42694 6.62766 numMergedOcc 0
65 mol 229 unq 15 iso 0 dist 8.69109 5.93705 8.19603 9.57165 7.63917 6.03803 numMergedOcc 0
66 mol 236 unq 0 iso 0 dist 9.33359 12.8358 8.50331 4.51728 9.14068 11.5307 numMergedOcc 0
67 mol 252 unq 0 iso 0 dist 8.62351 6.79111 8.47784 7.51673 8.19529 6.62402 numMergedOcc 0
68 mol 252 unq 1 iso 0 dist 8.62351 6.79111 8.47784 9.93939 6.45396 10.2463 numMergedOcc 0
69 mol 252 unq 2 iso 0 dist 8.62351 14.2609 8.66469 7.51673 8.19529 8.71281 numMergedOcc 0
70 mol 252 unq 3 iso 0 dist 8.62351 14.2609 8.66469 9.93939 6.45396 4.54582 numMergedOcc 0
71 mol 252 unq 4 iso 0 dist 9.44744 11.8815 6.11473 16.3896 9.39658 5.6214 numMergedOcc 0
72 mol 252 unq 5 iso 0 dist 6.94319 11.8815 8.47784 10.1704 8.19529 6.62402 numMergedOcc 0
73 mol 252 unq 6 iso 0 dist 6.94319 11.8815 8.47784 7.35069 6.45396 10.2463 numMergedOcc 0
74 mol 252 unq 7 iso 0 dist 6.94319 5.29359 8.66469 10.1704 8.19529 8.71281 numMergedOcc 0
75 mol 252 unq 8 iso 0 dist 6.94319 5.29359 8.66469 7.35069 6.45396 4.54582 numMergedOcc 0
76 mol 264 unq 0 iso 0 dist 9.91954 15.213 7.52281 10.6477 6.02757 5.71153 numMergedOcc 0
77 mol 264 unq 1 iso 0 dist 9.91954 15.213 7.52281 10.998 8.67231 6.87635 numMergedOcc 0
78 mol 264 unq 2 iso 0 dist 9.91954 7.50444 6.42588 10.6477 6.02757 6.56539 numMergedOcc 0
79 mol 264 unq 3 iso 0 dist 9.91954 7.50444 6.42588 10.998 8.67231 4.76241 numMergedOcc 0
80 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 12.0738 8.63072 13.5923 numMergedOcc 0
81 mol 278 unq 1 iso 0 dist 9.03362 12.6489 7.67245 14.2932 7.59696 10.0918 numMergedOcc 0
82 mol 278 unq 2 iso 0 dist 9.03362 14.7348 9.12395 12.0738 8.63072 10.9571 numMergedOcc 0
83 mol 278 unq 3 iso 0 dist 9.03362 14.7348 9.12395 14.2932 7.59696 6.48173 numMergedOcc 0
