0 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 5.99355 10.0158 5.72491 13.3926 15.5465 12.2041 7.88043 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 5.99355 10.2615 5.72491 13.3926 16.4323 12.2041 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 5.99355 9.80599 5.72491 13.3926 16.2933 12.2041 7.88043 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 6.76292 11.5401 6.56335 11.6025 11.358 5.5251 7.2668 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 4.93362 8.41365 6.36455 11.4946 6.92576 10.6598 7.48847 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.3147 7.84393 10.5285 4.93362 8.41365 6.36455 10.1953 13.4414 5.03957 6.92532 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 9.79426 7.84393 9.84922 4.93362 12.6305 6.36455 11.4946 19.3453 10.6598 7.48847 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 9.79426 7.84393 9.84922 4.93362 12.6305 6.36455 10.1953 12.4435 5.03957 6.92532 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86243 7.57586 5.39129 8.4072 8.10697 7.05737 10.3065 5.29179 5.64331 7.54179 numMergedOcc 0
9 mol 38 unq 1 iso 0 dist 7.55357 8.86547 5.29179 9.36454 8.10697 7.54179 11.7939 5.39129 5.64331 7.05737 numMergedOcc 0
10 mol 38 unq 2 iso 0 dist 5.86972 8.86547 10.4994 9.36454 14.2413 7.54179 11.7939 14.4367 5.64331 7.05737 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.39171 6.30194 5.2774 14.8714 13.0088 8.73253 10.392 10.4716 5.4148 7.04044 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.27355 6.30194 5.44275 14.8714 10.5067 8.73253 10.392 8.31041 5.4148 7.04044 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.60363 6.30194 8.0624 14.8714 14.8476 8.73253 10.392 11.7069 5.4148 7.04044 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.88762 10.5074 6.85302 10.7452 11.159 5.74635 7.20574 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 9.26387 9.1384 8.61765 13.7645 13.6617 8.57827 7.87125 9.7586 4.12932 6.29767 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 9.26387 7.87125 9.7586 13.7645 13.6617 6.29767 9.1384 8.61765 4.12932 8.57827 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.36396 8.0007 11.2438 7.57247 9.39295 5.77318 12.776 17.4364 7.0298 8.92743 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 8.36396 8.0007 11.2438 7.57247 9.39295 5.77318 13.2481 14.447 5.5729 8.08082 numMergedOcc 0
19 mol 229 unq 2 iso 0 dist 8.36396 8.0007 11.2438 7.57247 9.39295 5.77318 10.7479 4.84291 9.96077 8.19603 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 6.46721 5.51163 9.09271 9.23938 7.7551 5.53477 7.44838 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 6.46721 5.51163 7.44838 8.56954 5.53578 5.53477 9.09271 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.38609 7.93727 6.25956 3.94313 7.22411 7.75722 10.1494 10.6339 12.1984 6.39158 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 4.01898 8.46518 6.17052 11.4848 6.33032 5.55137 9.77666 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 15.4617 21.1498 7.99477 14.0712 18.663 7.26417 6.70815 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 11.0527 17.1295 7.86627 9.12006 14.0402 5.30627 7.93574 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 11.0527 17.1295 7.93574 8.81059 13.8694 5.30627 7.86627 numMergedOcc 0
27 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 15.4617 14.7484 7.99477 14.0712 10.221 7.26417 6.70815 numMergedOcc 0
28 mol 258 unq 4 iso 0 dist 7.70189 8.81059 9.22664 11.0527 13.7217 7.86627 9.12006 13.0489 5.30627 7.93574 numMergedOcc 0
29 mol 258 unq 5 iso 0 dist 7.70189 9.12006 13.0489 11.0527 13.7217 7.93574 8.81059 9.22664 5.30627 7.86627 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 13.4429 19.6488 8.60026 13.063 18.4508 7.00201 5.26434 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.61232 6.80096 5.11257 5.04055 9.66538 6.42588 10.9135 13.9464 8.96144 7.52281 numMergedOcc 0
