0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 8.95363 14.1033 12.8778 7.8922 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 4.93362 8.41365 12.4926 6.36455 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 4.93362 12.6305 12.4926 6.36455 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.43688 8.37901 3.80563 5.66319 9.42379 7.83082 6.24385 10.7721 8.7979 8.00177 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 7.79791 16.7055 14.8658 8.729 numMergedOcc 0
5 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.58946 13.1346 4.70374 9.00245 17.7873 12.5392 9.94125 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 5.41948 6.50846 12.6994 5.45036 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 15.1445 14.8113 22.9853 9.97586 numMergedOcc 0
8 mol 220 unq 2 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 5.41948 6.50846 12.3489 5.45036 numMergedOcc 0
9 mol 220 unq 3 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 15.1445 14.8113 16.3594 9.97586 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 6.33419 15.308 13.2888 6.13306 numMergedOcc 0
11 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 6.33419 15.308 14.513 6.13306 numMergedOcc 0
12 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 6.33419 15.0631 13.2888 6.13306 numMergedOcc 0
13 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 6.33419 15.0631 14.513 6.13306 numMergedOcc 0
14 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 9.94212 4.67731 15.9255 6.33419 6.82737 13.2888 6.13306 numMergedOcc 0
15 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 6.33419 6.82737 14.513 6.13306 numMergedOcc 0
16 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 9.94212 7.19485 15.9255 6.33419 6.80967 13.2888 6.13306 numMergedOcc 0
17 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 6.33419 6.80967 14.513 6.13306 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 8.36396 7.48693 5.52342 8.0007 11.2438 8.75723 7.57247 9.39295 10.0674 5.77318 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 5.02022 8.02209 6.86851 6.41286 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 15.4617 21.1498 12.869 7.99477 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 11.0527 17.1295 12.8643 7.86627 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 11.0527 17.1295 12.8643 7.93574 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 15.4617 21.1498 12.3875 7.99477 numMergedOcc 0
24 mol 258 unq 4 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 11.0527 17.1295 10.8981 7.86627 numMergedOcc 0
25 mol 258 unq 5 iso 0 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 11.0527 17.1295 10.8981 7.93574 numMergedOcc 0
26 mol 258 unq 6 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 15.4617 14.7484 12.869 7.99477 numMergedOcc 0
27 mol 258 unq 7 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 11.0527 13.7217 12.8643 7.86627 numMergedOcc 0
28 mol 258 unq 8 iso 0 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 11.0527 13.7217 12.8643 7.93574 numMergedOcc 0
29 mol 258 unq 9 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 15.4617 14.7484 12.3875 7.99477 numMergedOcc 0
30 mol 258 unq 10 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 11.0527 13.7217 10.8981 7.86627 numMergedOcc 0
31 mol 258 unq 11 iso 0 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 11.0527 13.7217 10.8981 7.93574 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 13.4429 19.6488 11.2569 8.60026 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 13.4429 19.6488 21.1638 8.60026 numMergedOcc 0
