0 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 5.99355 10.0158 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 5.99355 10.2615 5.72491 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 5.99355 9.80599 5.72491 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.00925 6.92865 11.3728 8.95363 14.1033 7.8922 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 6.76292 11.5401 6.56335 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 4.93362 8.41365 6.36455 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 4.93362 12.6305 6.36455 numMergedOcc 0
7 mol 33 unq 0 iso 0 dist 8.43688 5.66319 9.42379 6.24385 10.7721 8.00177 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86243 7.57586 5.39129 7.40179 10.115 7.57959 numMergedOcc 0
9 mol 38 unq 1 iso 0 dist 5.86243 7.57586 5.39129 8.4072 8.10697 7.05737 numMergedOcc 0
10 mol 38 unq 2 iso 0 dist 7.55357 8.86547 5.29179 9.36454 8.10697 7.54179 numMergedOcc 0
11 mol 38 unq 3 iso 0 dist 5.86972 8.86547 10.4994 9.36454 14.2413 7.54179 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 7.19203 7.14865 9.51008 7.12794 13.4981 7.9814 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 5.39171 6.30194 5.2774 14.8714 13.0088 8.73253 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.27355 6.30194 5.44275 14.8714 10.5067 8.73253 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 8.60363 6.30194 8.0624 14.8714 14.8476 8.73253 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 7.57822 7.55805 6.35372 8.4354 8.21549 9.44561 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.42175 5.81552 9.60908 7.79791 16.7055 8.729 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.98459 9.89142 6.89489 7.6506 10.751 6.20182 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 9.82329 8.58946 13.1346 9.00245 17.7873 9.94125 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.88762 10.5074 6.85302 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 6.43585 6.86297 5.43796 7.55335 9.39664 9.98215 numMergedOcc 0
22 mol 212 unq 0 iso 0 dist 9.26387 9.1384 8.61765 13.7645 13.6617 8.57827 numMergedOcc 0
23 mol 212 unq 1 iso 0 dist 9.26387 7.87125 9.7586 13.7645 13.6617 6.29767 numMergedOcc 0
24 mol 212 unq 2 iso 0 dist 9.26387 7.87125 9.7586 6.39716 14.7241 8.74585 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 5.41948 6.50846 5.45036 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 15.1445 14.8113 9.97586 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 6.33419 15.308 6.13306 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 9.14789 9.94212 19.0281 6.33419 15.0631 6.13306 numMergedOcc 0
29 mol 223 unq 2 iso 0 dist 7.80764 9.94212 4.67731 6.33419 6.82737 6.13306 numMergedOcc 0
30 mol 223 unq 3 iso 0 dist 5.75896 9.94212 7.19485 6.33419 6.80967 6.13306 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 6.23345 11.4439 8.37597 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 6.23345 10.3724 8.37597 numMergedOcc 0
33 mol 229 unq 0 iso 0 dist 8.36396 8.0007 11.2438 7.57247 9.39295 5.77318 numMergedOcc 0
34 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 6.46721 5.51163 9.09271 numMergedOcc 0
35 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 6.46721 5.51163 7.44838 numMergedOcc 0
36 mol 230 unq 2 iso 0 dist 6.88683 8.33847 6.87235 5.02022 8.02209 6.41286 numMergedOcc 0
37 mol 230 unq 3 iso 0 dist 7.43793 9.12305 6.87235 9.81615 8.02209 6.41286 numMergedOcc 0
38 mol 230 unq 4 iso 0 dist 8.4739 9.12305 9.94041 9.81615 12.9667 6.41286 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 6.4535 6.29118 7.83711 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 7.38609 7.93727 6.25956 3.94313 7.22411 7.75722 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 4.01898 8.46518 6.17052 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 9.18036 12.8625 7.77998 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 15.4617 21.1498 7.99477 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 11.0527 17.1295 7.86627 numMergedOcc 0
45 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 11.0527 17.1295 7.93574 numMergedOcc 0
46 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 15.4617 14.7484 7.99477 numMergedOcc 0
47 mol 258 unq 4 iso 0 dist 7.70189 8.81059 9.22664 11.0527 13.7217 7.86627 numMergedOcc 0
48 mol 258 unq 5 iso 0 dist 7.70189 9.12006 13.0489 11.0527 13.7217 7.93574 numMergedOcc 0
49 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 13.4429 19.6488 8.60026 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 7.61232 6.80096 5.11257 5.04055 9.66538 6.42588 numMergedOcc 0
51 mol 266 unq 0 iso 0 dist 9.58577 7.72749 10.2159 6.94588 15.2536 7.71657 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 7.50321 6.62923 7.55961 14.4134 15.7656 9.19033 numMergedOcc 0
53 mol 272 unq 1 iso 0 dist 9.61597 6.62923 5.43733 14.4134 11.8957 9.19033 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 8.08495 7.66291 8.39941 11.8763 12.5798 5.31728 numMergedOcc 0
