0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 16.2933 12.2333 12.2041 7.88043 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 6.53177 7.63133 11.5401 10.454 6.56335 11.358 13.084 5.5251 7.2668 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.67719 6.53177 5.46498 11.5401 6.70071 6.56335 11.358 9.80614 5.5251 7.2668 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 5.641 10.5273 7.05502 7.83786 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 14.445 6.20293 8.13395 8.60739 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 15.1191 9.06158 8.60739 10.323 8.80331 8.13395 9.93832 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 10.5067 15.7304 7.04044 5.44275 10.2049 5.4148 8.73253 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.8476 15.7304 7.04044 8.0624 10.2049 5.4148 8.73253 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 13.0088 8.26458 7.04044 5.2774 6.19304 5.4148 8.73253 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 10.4716 9.96396 5.4148 7.04044 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.89722 13.9156 8.70481 20.6347 14.8866 8.85586 20.9262 16.0098 8.07446 5.16364 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 7.26679 8.31041 9.96396 10.5067 8.26458 7.04044 5.44275 6.19304 5.4148 8.73253 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 8.31041 9.96396 5.4148 7.04044 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 7.26679 11.2674 8.70481 17.0516 14.8866 8.85586 16.9156 16.0098 8.07446 5.16364 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 9.30776 8.31041 9.75218 10.5067 8.35241 7.04044 5.44275 11.6369 5.4148 8.73253 numMergedOcc 0
15 mol 94 unq 0 iso 0 dist 9.33801 5.81332 7.89459 11.0642 5.60279 9.97569 6.79503 10.1664 7.49897 8.16733 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 16.9699 13.9874 5.0812 6.43433 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 6.85381 12.5148 9.60462 9.54846 3.98564 7.23962 11.4232 11.192 7.03147 9.00067 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 6.85381 12.5148 9.60462 9.54846 3.98564 7.23962 9.6214 10.9806 11.4954 9.89499 numMergedOcc 0
19 mol 112 unq 3 iso 0 dist 6.85381 12.5148 9.60462 9.54846 3.98564 7.23962 6.38057 7.45389 7.05226 7.30204 numMergedOcc 0
20 mol 112 unq 4 iso 0 dist 6.85381 6.38057 7.45389 9.54846 3.98564 7.30204 12.5148 9.60462 7.05226 7.23962 numMergedOcc 0
21 mol 112 unq 5 iso 0 dist 6.85381 6.38057 7.45389 9.54846 3.98564 7.30204 11.4232 11.192 5.56241 9.00067 numMergedOcc 0
22 mol 112 unq 6 iso 0 dist 6.85381 6.38057 7.45389 9.54846 3.98564 7.30204 9.6214 10.9806 6.77737 9.89499 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 13.9994 6.70283 7.65448 8.28642 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 14.8536 9.35627 8.28642 9.66339 8.56324 7.65448 9.77552 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 17.5431 11.2078 8.28642 17.605 14.1618 7.65448 9.77552 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 18.9439 12.6531 10.5806 9.2581 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 13.2004 11.8674 6.9154 9.62632 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 13.2783 8.65997 5.22356 5.4694 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 14.9329 7.22101 5.22356 8.38865 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 12.5771 10.8157 5.22356 5.4694 numMergedOcc 0
31 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 18.6155 14.4239 6.94172 8.08082 numMergedOcc 0
32 mol 229 unq 1 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 18.4145 11.7165 7.0298 5.77318 numMergedOcc 0
33 mol 229 unq 2 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 27.1387 19.5385 15.7694 8.19603 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 4.7359 5.63086 8.24186 4.67725 9.45579 8.59858 7.56091 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 5.89084 4.74041 6.56247 4.7359 5.63086 8.24186 6.16697 9.45496 5.88703 7.5366 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 4.67725 9.45579 9.82284 7.56091 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 5.89084 6.16697 9.45496 4.7359 5.63086 7.5366 4.74041 6.56247 5.88703 8.24186 numMergedOcc 0
38 mol 234 unq 4 iso 0 dist 8.47009 4.74041 9.36357 4.7359 5.6819 8.24186 4.67725 12.4862 8.59858 7.56091 numMergedOcc 0
39 mol 234 unq 5 iso 0 dist 8.47009 4.74041 9.36357 4.7359 5.6819 8.24186 6.16697 6.7625 5.88703 7.5366 numMergedOcc 0
40 mol 234 unq 6 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 4.67725 12.4862 9.82284 7.56091 numMergedOcc 0
41 mol 234 unq 7 iso 0 dist 8.47009 6.16697 6.7625 4.7359 5.6819 7.5366 4.74041 9.36357 5.88703 8.24186 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 17.0472 13.1583 6.85126 7.61393 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 8.46518 5.99459 6.17052 6.33032 7.21521 5.55137 9.77666 numMergedOcc 0
44 mol 248 unq 1 iso 0 dist 8.71859 6.33032 7.21521 8.46518 5.99459 9.77666 4.53213 7.69895 5.55137 6.17052 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 14.7484 7.42673 6.70815 9.22664 6.42289 7.26417 7.99477 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 8.58088 9.22664 6.42289 14.7484 7.42673 7.99477 10.221 6.60405 7.26417 6.70815 numMergedOcc 0
47 mol 258 unq 2 iso 0 dist 8.58088 9.22664 6.42289 13.7217 6.44209 7.86627 13.0489 10.1675 5.30627 7.93574 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 18.8755 12.0576 9.98105 8.59697 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 5.82123 10.1698 6.6954 6.88809 numMergedOcc 0
50 mol 272 unq 1 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 6.72149 8.46116 8.12676 8.46061 numMergedOcc 0
51 mol 272 unq 2 iso 0 dist 9.1118 6.72149 8.46116 5.7564 4.86504 8.46061 11.082 9.97651 8.12676 9.64269 numMergedOcc 0
52 mol 272 unq 3 iso 0 dist 9.1118 6.72149 8.46116 5.7564 4.86504 8.46061 5.82123 10.1698 7.34222 6.88809 numMergedOcc 0
53 mol 272 unq 4 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 16.0678 13.2494 8.12676 9.64269 numMergedOcc 0
54 mol 272 unq 5 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 16.6393 13.168 7.34222 6.88809 numMergedOcc 0
