0 mol 4 unq 0 iso 0 dist 6.34563 9.80438 7.02535 6.82441 8.7041 14.3783 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.96463 8.44792 15.5107 15.2778 9.99109 16.7701 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.96463 4.94198 8.34543 15.2778 9.99109 14.0801 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 9.96463 9.62353 5.06302 15.2778 9.99109 15.0069 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 8.98177 9.03346 4.95968 9.45747 9.25986 13.1988 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.71103 7.06029 8.14479 6.05149 7.41952 6.65972 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.99537 5.48163 4.69684 6.18402 7.12199 4.91714 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.12964 9.18784 7.47617 5.65554 9.18835 7.06763 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.63018 7.84813 6.14663 5.0466 7.07421 4.4077 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.85651 4.82356 3.75786 8.75242 9.07294 9.35049 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.85651 4.82356 3.75786 14.0828 7.50126 10.3668 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 7.03858 8.83476 3.75786 6.45333 9.07294 9.35049 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 7.03858 8.83476 3.75786 11.5586 7.50126 10.3668 numMergedOcc 0
13 mol 136 unq 0 iso 0 dist 9.87222 9.73897 9.72078 10.7093 9.33635 16.6925 numMergedOcc 0
14 mol 136 unq 1 iso 0 dist 9.87222 8.59512 4.91049 10.7093 9.33635 11.0888 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 8.52428 8.76449 10.4515 7.75436 9.13646 14.6837 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 8.52428 8.36182 9.02691 7.75436 9.13646 14.6067 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 9.22427 6.81449 5.6048 14.778 9.71692 11.6654 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 9.32504 6.87593 5.53516 14.922 9.73708 11.7448 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.92635 7.16035 10.7786 13.34 6.21267 16.4323 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.92635 7.16035 10.7786 13.9426 7.41743 15.7115 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 9.92635 6.2675 14.145 13.34 6.21267 18.6662 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 9.92635 6.2675 14.145 13.9426 7.41743 19.1714 numMergedOcc 0
23 mol 183 unq 4 iso 0 dist 7.85507 9.61725 10.7786 9.98606 6.21267 16.4323 numMergedOcc 0
24 mol 183 unq 5 iso 0 dist 7.85507 9.61725 10.7786 11.9935 7.41743 15.7115 numMergedOcc 0
25 mol 183 unq 6 iso 0 dist 7.85507 9.52042 14.145 9.98606 6.21267 18.6662 numMergedOcc 0
26 mol 183 unq 7 iso 0 dist 7.85507 9.52042 14.145 11.9935 7.41743 19.1714 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.12583 7.69952 4.41312 10.2313 9.94142 10.3073 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 7.252 5.05414 9.52346 13.2525 7.30965 15.7742 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 7.252 7.16964 6.78691 13.2525 7.30965 12.9612 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.19213 8.49554 3.72258 5.55359 7.00683 9.92651 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 5.67196 8.29256 3.72258 4.72843 7.00683 9.92651 numMergedOcc 0
32 mol 204 unq 2 iso 0 dist 5.67196 7.8274 7.27203 4.72843 7.00683 11.7622 numMergedOcc 0
33 mol 255 unq 0 iso 0 dist 8.22083 7.80616 6.60718 7.82713 6.25315 11.011 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 8.9297 9.82105 14.4499 4.65989 6.51449 10.5841 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 7.10723 9.22665 3.76721 9.13465 7.02503 7.00616 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 7.10723 9.22665 3.76721 14.2183 9.18164 9.19653 numMergedOcc 0
37 mol 280 unq 2 iso 0 dist 8.01368 9.22665 8.33181 13.0497 9.05509 12.4223 numMergedOcc 0
38 mol 280 unq 3 iso 0 dist 6.8664 9.84708 3.76721 7.59724 7.02503 7.00616 numMergedOcc 0
39 mol 280 unq 4 iso 0 dist 6.8664 9.84708 3.76721 7.88431 9.18164 9.19653 numMergedOcc 0
40 mol 283 unq 0 iso 0 dist 7.90132 9.35302 7.27864 5.37953 7.53773 10.5131 numMergedOcc 0
41 mol 283 unq 1 iso 0 dist 7.90132 8.85163 13.4741 5.37953 7.53773 14.1679 numMergedOcc 0
