0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 14.0737 12.8323 9.87885 15.8567 12.2333 13.2247 6.1206 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 12.8366 5.41726 6.6263 13.1056 6.20293 8.13395 6.75943 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 12.8366 5.41726 6.75943 14.0204 8.80331 8.13395 6.6263 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 15.6164 10.0383 6.75943 17.4032 14.7803 8.13395 6.6263 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 12.8474 5.70116 9.73086 9.59988 6.19304 5.4148 7.4369 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 12.8474 5.70116 7.4369 12.8453 9.96396 5.4148 9.73086 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.23812 7.80518 8.70481 10.4722 11.2069 5.5087 14.3327 16.0098 8.07446 5.61588 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.23812 7.80518 8.70481 12.7709 10.6713 6.08682 14.3327 16.0098 8.07446 7.83244 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 22.8432 15.6249 8.27883 16.4424 11.3446 6.59884 7.7152 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.7018 4.03277 8.91882 15.1707 10.1489 10.8375 9.21662 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.22737 6.60925 6.65086 13.861 6.23008 8.91882 15.785 13.2001 10.8375 9.21662 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 14.206 5.00433 8.52024 19.574 13.1098 7.15843 9.89083 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.5457 6.63111 6.39384 4.75197 5.83991 7.69052 9.42082 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 12.5457 6.63111 9.42082 10.9791 9.33865 7.69052 6.39384 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.2447 12.3479 9.33094 12.2198 12.5075 6.81259 8.69531 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 14.33 7.41373 9.33094 9.66197 9.86662 6.81259 8.69531 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 17.7356 12.8086 9.1998 19.4707 15.281 11.6064 6.42772 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 17.7356 12.8086 9.1998 15.2065 14.0375 7.09823 8.70621 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 9.16358 9.66197 9.86662 14.33 7.41373 8.69531 10.0911 8.94367 6.81259 9.33094 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 6.48328 10.0911 6.37586 14.33 10.8635 9.33094 9.66197 9.71307 6.81259 8.69531 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 6.48328 9.66197 9.71307 17.7356 15.0225 9.1998 19.4707 15.6507 11.6064 6.42772 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 6.48328 9.66197 9.71307 17.7356 15.0225 9.1998 15.2065 15.9508 7.09823 8.70621 numMergedOcc 0
22 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 14.33 10.8635 8.69531 10.0911 6.37586 6.81259 9.33094 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 12.9285 5.39112 6.59889 13.793 6.70283 7.65448 6.70693 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 12.9285 5.39112 6.70693 13.1435 8.56324 7.65448 6.59889 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.23645 6.45463 9.87651 14.8848 12.0033 9.2289 10.5479 12.4733 4.70068 7.68266 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 9.23645 6.45463 9.87651 14.8848 12.0033 9.2289 16.6819 17.5366 10.3445 7.6616 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 9.23645 6.45463 9.87651 12.7968 11.6011 7.02548 10.5479 12.4733 4.70068 6.84752 numMergedOcc 0
28 mol 167 unq 3 iso 0 dist 9.23645 6.45463 9.87651 12.7968 11.6011 7.02548 16.6819 17.5366 10.3445 7.86563 numMergedOcc 0
29 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 9.66676 4.78249 9.51256 11.4871 12.8281 8.56034 9.08274 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.97971 5.71898 9.01624 4.62576 9.81747 11.5866 5.05973 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 8.80858 4.46743 6.65832 10.0366 5.76843 6.99769 4.93626 6.60589 6.77699 8.79428 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 8.80858 4.46743 6.65832 10.0366 5.76843 6.99769 11.8641 9.16166 11.328 6.8692 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 8.80858 4.93626 6.60589 10.0366 5.76843 8.79428 4.46743 6.65832 6.77699 6.99769 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 8.80858 4.93626 6.60589 10.0366 5.76843 8.79428 11.8641 9.16166 8.49799 6.8692 numMergedOcc 0
35 mol 224 unq 4 iso 0 dist 8.80858 11.8641 9.16166 10.0366 5.76843 6.8692 4.46743 6.65832 11.328 6.99769 numMergedOcc 0
36 mol 224 unq 5 iso 0 dist 8.80858 11.8641 9.16166 10.0366 5.76843 6.8692 4.93626 6.60589 8.49799 8.79428 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 14.0673 7.22525 7.27993 12.7741 11.9282 5.1556 9.51168 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 8.83023 9.15968 7.03423 14.0673 7.22525 7.27993 16.1609 11.4362 7.0298 6.95201 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 5.52788 7.06793 9.72188 10.313 14.6111 15.7907 9.12776 numMergedOcc 0
