0 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 11.9181 8.6385 9.78225 4.18634 6.73167 8.25132 7.73394 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.8533 11.9181 8.6385 10.1933 5.69955 9.78225 4.18634 6.73167 7.73394 8.25132 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.8533 10.1933 5.69955 11.9181 8.6385 9.78225 13.421 7.40948 4.94205 7.42064 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.8533 11.9181 8.6385 10.1933 5.69955 9.78225 13.421 7.40948 7.42064 4.94205 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 6.87744 10.4881 5.69955 10.4441 8.6385 9.78225 12.7209 6.73167 8.25132 7.73394 numMergedOcc 0
5 mol 26 unq 2 iso 1 dist 6.87744 10.4441 8.6385 10.4881 5.69955 9.78225 12.7209 6.73167 7.73394 8.25132 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 6.87744 10.4881 5.69955 10.4441 8.6385 9.78225 9.09086 7.40948 4.94205 7.42064 numMergedOcc 0
7 mol 26 unq 3 iso 1 dist 6.87744 10.4441 8.6385 10.4881 5.69955 9.78225 9.09086 7.40948 7.42064 4.94205 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.17687 14.4151 9.93832 10.3283 8.60739 8.13395 5.34976 7.24352 10.8828 5.07458 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 9.17687 10.3283 8.60739 14.4151 9.93832 8.13395 5.34976 7.24352 5.07458 10.8828 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 5.9819 4.9102 6.43433 6.84034 9.92283 5.0812 10.5025 5.43933 10.5563 12.6108 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 10.5025 5.43933 12.6108 10.5563 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 5.9819 4.9102 6.43433 6.84034 9.92283 5.0812 9.50897 4.99604 6.95317 10.9279 numMergedOcc 0
13 mol 112 unq 1 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 9.50897 4.99604 10.9279 6.95317 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 5.9819 4.9102 6.43433 6.84034 9.92283 5.0812 13.6247 9.97483 13.5094 13.764 numMergedOcc 0
15 mol 112 unq 2 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 13.6247 9.97483 13.764 13.5094 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 5.9819 4.9102 6.43433 6.84034 9.92283 5.0812 4.9759 7.44041 6.75738 5.43385 numMergedOcc 0
17 mol 112 unq 3 iso 1 dist 5.9819 6.84034 9.92283 4.9102 6.43433 5.0812 4.9759 7.44041 5.43385 6.75738 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.8367 11.9678 7.36779 13.0109 8.20836 5.62899 4.4987 8.48313 14.2036 16.4114 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 5.8367 13.0109 8.20836 11.9678 7.36779 5.62899 4.4987 8.48313 16.4114 14.2036 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.8367 11.9678 7.36779 13.0109 8.20836 5.62899 4.72407 6.99345 10.092 12.8086 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 5.8367 13.0109 8.20836 11.9678 7.36779 5.62899 4.72407 6.99345 12.8086 10.092 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 5.8367 11.9678 7.36779 13.0109 8.20836 5.62899 7.97297 5.11043 4.46337 7.41373 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 5.8367 13.0109 8.20836 11.9678 7.36779 5.62899 7.97297 5.11043 7.41373 4.46337 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 6.1522 5.10618 7.31409 16.9762 9.13027 11.8244 13.9189 numMergedOcc 0
25 mol 171 unq 0 iso 1 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 16.9762 9.13027 13.9189 11.8244 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 16.9762 9.13027 11.8244 8.25926 numMergedOcc 0
27 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.5015 7.71426 13.6814 16.9762 9.13027 8.25926 11.8244 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 16.9762 9.13027 13.9189 8.25926 numMergedOcc 0
29 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.1522 5.10618 13.7214 16.9762 9.13027 8.25926 13.9189 numMergedOcc 0
30 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 13.577 7.62942 10.7531 9.54898 6.34234 5.41635 6.04871 numMergedOcc 0
31 mol 195 unq 0 iso 1 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 9.54898 6.34234 6.04871 5.41635 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 8.22643 4.98231 6.60567 13.577 7.62942 10.7531 11.5968 7.87972 11.9954 8.04534 numMergedOcc 0
33 mol 195 unq 1 iso 1 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 11.5968 7.87972 8.04534 11.9954 numMergedOcc 0
34 mol 198 unq 0 iso 0 dist 5.33789 9.81415 9.18635 5.21925 8.10985 11.6493 10.2325 8.8864 5.33039 9.76488 numMergedOcc 0
35 mol 198 unq 0 iso 1 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 10.2325 8.8864 9.76488 5.33039 numMergedOcc 0
36 mol 198 unq 1 iso 0 dist 5.33789 9.81415 9.18635 5.21925 8.10985 11.6493 8.89394 8.12201 10.1469 6.0599 numMergedOcc 0
37 mol 198 unq 1 iso 1 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 8.89394 8.12201 6.0599 10.1469 numMergedOcc 0
38 mol 198 unq 2 iso 0 dist 5.33789 9.81415 9.18635 5.21925 8.10985 11.6493 4.91277 5.45162 5.76471 6.05382 numMergedOcc 0
39 mol 198 unq 2 iso 1 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 4.91277 5.45162 6.05382 5.76471 numMergedOcc 0
40 mol 198 unq 3 iso 0 dist 7.27215 6.05803 9.18635 10.854 8.10985 11.6493 9.78748 8.8864 5.33039 9.76488 numMergedOcc 0
41 mol 198 unq 3 iso 1 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 9.78748 8.8864 9.76488 5.33039 numMergedOcc 0
42 mol 198 unq 4 iso 0 dist 7.27215 6.05803 9.18635 10.854 8.10985 11.6493 12.0849 8.12201 10.1469 6.0599 numMergedOcc 0
43 mol 198 unq 4 iso 1 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 12.0849 8.12201 6.0599 10.1469 numMergedOcc 0
44 mol 198 unq 5 iso 0 dist 7.27215 6.05803 9.18635 10.854 8.10985 11.6493 6.12389 5.45162 5.76471 6.05382 numMergedOcc 0
45 mol 198 unq 5 iso 1 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 6.12389 5.45162 6.05382 5.76471 numMergedOcc 0
46 mol 207 unq 0 iso 0 dist 5.86317 7.31502 8.32218 5.6688 7.96797 11.0921 7.22657 8.78061 14.0642 4.56899 numMergedOcc 0
47 mol 207 unq 0 iso 1 dist 5.86317 5.6688 7.96797 7.31502 8.32218 11.0921 7.22657 8.78061 4.56899 14.0642 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 7.09453 9.84917 8.92743 6.89 8.08082 6.94172 5.06475 6.42694 11.0437 5.66641 numMergedOcc 0
49 mol 229 unq 0 iso 1 dist 7.09453 6.89 8.08082 9.84917 8.92743 6.94172 5.06475 6.42694 5.66641 11.0437 numMergedOcc 0
50 mol 229 unq 1 iso 0 dist 7.09453 9.84917 8.92743 6.89 8.08082 6.94172 10.6529 7.63917 11.9989 7.4175 numMergedOcc 0
51 mol 229 unq 1 iso 1 dist 7.09453 6.89 8.08082 9.84917 8.92743 6.94172 10.6529 7.63917 7.4175 11.9989 numMergedOcc 0
52 mol 229 unq 2 iso 0 dist 7.09453 9.84917 8.92743 9.68525 5.77318 7.0298 5.06475 6.42694 11.0437 7.46815 numMergedOcc 0
53 mol 229 unq 2 iso 1 dist 7.09453 9.68525 5.77318 9.84917 8.92743 7.0298 5.06475 6.42694 7.46815 11.0437 numMergedOcc 0
54 mol 229 unq 3 iso 0 dist 7.09453 9.84917 8.92743 9.68525 5.77318 7.0298 10.6529 7.63917 11.9989 5.37687 numMergedOcc 0
55 mol 229 unq 3 iso 1 dist 7.09453 9.68525 5.77318 9.84917 8.92743 7.0298 10.6529 7.63917 5.37687 11.9989 numMergedOcc 0
56 mol 229 unq 4 iso 0 dist 7.09453 9.84917 8.92743 10.7618 8.19603 15.7694 5.06475 6.42694 11.0437 6.62766 numMergedOcc 0
57 mol 229 unq 4 iso 1 dist 7.09453 10.7618 8.19603 9.84917 8.92743 15.7694 5.06475 6.42694 6.62766 11.0437 numMergedOcc 0
58 mol 229 unq 5 iso 0 dist 7.09453 9.84917 8.92743 10.7618 8.19603 15.7694 10.6529 7.63917 11.9989 6.03803 numMergedOcc 0
59 mol 229 unq 5 iso 1 dist 7.09453 10.7618 8.19603 9.84917 8.92743 15.7694 10.6529 7.63917 6.03803 11.9989 numMergedOcc 0
60 mol 229 unq 2 iso 0 dist 7.09453 6.89 8.08082 9.68525 5.77318 5.5729 5.06475 6.42694 5.66641 7.46815 numMergedOcc 0
61 mol 229 unq 2 iso 1 dist 7.09453 9.68525 5.77318 6.89 8.08082 5.5729 5.06475 6.42694 7.46815 5.66641 numMergedOcc 0
62 mol 229 unq 3 iso 0 dist 7.09453 6.89 8.08082 9.68525 5.77318 5.5729 10.6529 7.63917 7.4175 5.37687 numMergedOcc 0
63 mol 229 unq 3 iso 1 dist 7.09453 9.68525 5.77318 6.89 8.08082 5.5729 10.6529 7.63917 5.37687 7.4175 numMergedOcc 0
64 mol 229 unq 4 iso 0 dist 7.09453 6.89 8.08082 10.7618 8.19603 11.3041 5.06475 6.42694 5.66641 6.62766 numMergedOcc 0
65 mol 229 unq 4 iso 1 dist 7.09453 10.7618 8.19603 6.89 8.08082 11.3041 5.06475 6.42694 6.62766 5.66641 numMergedOcc 0
66 mol 229 unq 5 iso 0 dist 7.09453 6.89 8.08082 10.7618 8.19603 11.3041 10.6529 7.63917 7.4175 6.03803 numMergedOcc 0
67 mol 229 unq 5 iso 1 dist 7.09453 10.7618 8.19603 6.89 8.08082 11.3041 10.6529 7.63917 6.03803 7.4175 numMergedOcc 0
68 mol 229 unq 4 iso 0 dist 7.09453 9.68525 5.77318 10.7618 8.19603 9.96077 5.06475 6.42694 7.46815 6.62766 numMergedOcc 0
69 mol 229 unq 4 iso 1 dist 7.09453 10.7618 8.19603 9.68525 5.77318 9.96077 5.06475 6.42694 6.62766 7.46815 numMergedOcc 0
70 mol 229 unq 5 iso 0 dist 7.09453 9.68525 5.77318 10.7618 8.19603 9.96077 10.6529 7.63917 5.37687 6.03803 numMergedOcc 0
71 mol 229 unq 5 iso 1 dist 7.09453 10.7618 8.19603 9.68525 5.77318 9.96077 10.6529 7.63917 6.03803 5.37687 numMergedOcc 0
72 mol 229 unq 6 iso 0 dist 8.69109 15.4506 8.92743 10.808 8.08082 6.94172 5.21449 6.42694 11.0437 5.66641 numMergedOcc 0
73 mol 229 unq 6 iso 1 dist 8.69109 10.808 8.08082 15.4506 8.92743 6.94172 5.21449 6.42694 5.66641 11.0437 numMergedOcc 0
74 mol 229 unq 7 iso 0 dist 8.69109 15.4506 8.92743 10.808 8.08082 6.94172 9.57165 7.63917 11.9989 7.4175 numMergedOcc 0
75 mol 229 unq 7 iso 1 dist 8.69109 10.808 8.08082 15.4506 8.92743 6.94172 9.57165 7.63917 7.4175 11.9989 numMergedOcc 0
76 mol 229 unq 8 iso 0 dist 8.69109 15.4506 8.92743 11.9018 5.77318 7.0298 5.21449 6.42694 11.0437 7.46815 numMergedOcc 0
77 mol 229 unq 8 iso 1 dist 8.69109 11.9018 5.77318 15.4506 8.92743 7.0298 5.21449 6.42694 7.46815 11.0437 numMergedOcc 0
78 mol 229 unq 9 iso 0 dist 8.69109 15.4506 8.92743 11.9018 5.77318 7.0298 9.57165 7.63917 11.9989 5.37687 numMergedOcc 0
79 mol 229 unq 9 iso 1 dist 8.69109 11.9018 5.77318 15.4506 8.92743 7.0298 9.57165 7.63917 5.37687 11.9989 numMergedOcc 0
80 mol 229 unq 10 iso 0 dist 8.69109 15.4506 8.92743 5.93705 8.19603 15.7694 5.21449 6.42694 11.0437 6.62766 numMergedOcc 0
81 mol 229 unq 10 iso 1 dist 8.69109 5.93705 8.19603 15.4506 8.92743 15.7694 5.21449 6.42694 6.62766 11.0437 numMergedOcc 0
82 mol 229 unq 11 iso 0 dist 8.69109 15.4506 8.92743 5.93705 8.19603 15.7694 9.57165 7.63917 11.9989 6.03803 numMergedOcc 0
83 mol 229 unq 11 iso 1 dist 8.69109 5.93705 8.19603 15.4506 8.92743 15.7694 9.57165 7.63917 6.03803 11.9989 numMergedOcc 0
84 mol 229 unq 8 iso 0 dist 8.69109 10.808 8.08082 11.9018 5.77318 5.5729 5.21449 6.42694 5.66641 7.46815 numMergedOcc 0
85 mol 229 unq 8 iso 1 dist 8.69109 11.9018 5.77318 10.808 8.08082 5.5729 5.21449 6.42694 7.46815 5.66641 numMergedOcc 0
86 mol 229 unq 9 iso 0 dist 8.69109 10.808 8.08082 11.9018 5.77318 5.5729 9.57165 7.63917 7.4175 5.37687 numMergedOcc 0
87 mol 229 unq 9 iso 1 dist 8.69109 11.9018 5.77318 10.808 8.08082 5.5729 9.57165 7.63917 5.37687 7.4175 numMergedOcc 0
88 mol 229 unq 10 iso 0 dist 8.69109 10.808 8.08082 5.93705 8.19603 11.3041 5.21449 6.42694 5.66641 6.62766 numMergedOcc 0
89 mol 229 unq 10 iso 1 dist 8.69109 5.93705 8.19603 10.808 8.08082 11.3041 5.21449 6.42694 6.62766 5.66641 numMergedOcc 0
90 mol 229 unq 11 iso 0 dist 8.69109 10.808 8.08082 5.93705 8.19603 11.3041 9.57165 7.63917 7.4175 6.03803 numMergedOcc 0
91 mol 229 unq 11 iso 1 dist 8.69109 5.93705 8.19603 10.808 8.08082 11.3041 9.57165 7.63917 6.03803 7.4175 numMergedOcc 0
92 mol 229 unq 10 iso 0 dist 8.69109 11.9018 5.77318 5.93705 8.19603 9.96077 5.21449 6.42694 7.46815 6.62766 numMergedOcc 0
93 mol 229 unq 10 iso 1 dist 8.69109 5.93705 8.19603 11.9018 5.77318 9.96077 5.21449 6.42694 6.62766 7.46815 numMergedOcc 0
94 mol 229 unq 11 iso 0 dist 8.69109 11.9018 5.77318 5.93705 8.19603 9.96077 9.57165 7.63917 5.37687 6.03803 numMergedOcc 0
95 mol 229 unq 11 iso 1 dist 8.69109 5.93705 8.19603 11.9018 5.77318 9.96077 9.57165 7.63917 6.03803 5.37687 numMergedOcc 0
96 mol 252 unq 0 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 7.51673 8.19529 6.62402 8.71281 numMergedOcc 0
97 mol 252 unq 0 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 7.51673 8.19529 8.71281 6.62402 numMergedOcc 0
98 mol 252 unq 1 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 9.93939 6.45396 10.2463 4.54582 numMergedOcc 0
99 mol 252 unq 1 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 9.93939 6.45396 4.54582 10.2463 numMergedOcc 0
100 mol 252 unq 2 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 10.1704 8.19529 6.62402 8.71281 numMergedOcc 0
101 mol 252 unq 2 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 10.1704 8.19529 8.71281 6.62402 numMergedOcc 0
102 mol 252 unq 3 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 7.35069 6.45396 10.2463 4.54582 numMergedOcc 0
103 mol 252 unq 3 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 7.35069 6.45396 4.54582 10.2463 numMergedOcc 0
104 mol 264 unq 0 iso 0 dist 9.91954 15.213 7.52281 7.50444 6.42588 8.96144 10.6477 6.02757 5.71153 6.56539 numMergedOcc 0
105 mol 264 unq 0 iso 1 dist 9.91954 7.50444 6.42588 15.213 7.52281 8.96144 10.6477 6.02757 6.56539 5.71153 numMergedOcc 0
106 mol 264 unq 1 iso 0 dist 9.91954 15.213 7.52281 7.50444 6.42588 8.96144 10.998 8.67231 6.87635 4.76241 numMergedOcc 0
107 mol 264 unq 1 iso 1 dist 9.91954 7.50444 6.42588 15.213 7.52281 8.96144 10.998 8.67231 4.76241 6.87635 numMergedOcc 0
108 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 12.0738 8.63072 13.5923 10.9571 numMergedOcc 0
109 mol 278 unq 0 iso 1 dist 9.03362 14.7348 9.12395 12.6489 7.67245 5.74345 12.0738 8.63072 10.9571 13.5923 numMergedOcc 0
110 mol 278 unq 1 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 14.2932 7.59696 10.0918 6.48173 numMergedOcc 0
111 mol 278 unq 1 iso 1 dist 9.03362 14.7348 9.12395 12.6489 7.67245 5.74345 14.2932 7.59696 6.48173 10.0918 numMergedOcc 0
