0 mol 38 unq 0 iso 0 dist 5.86243 5.45205 8.62204 7.57586 5.39129 9.19165 6.19943 5.17241 5.08577 7.68478 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.55357 9.37501 8.62204 11.7939 5.39129 9.19165 5.09927 5.17241 5.08577 7.68478 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.64551 3.42334 6.89706 10.751 6.07226 7.80898 9.18977 12.2387 9.11654 9.07128 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 9.64551 3.42334 6.89706 10.751 6.07226 7.80898 12.8732 12.4328 10.8983 6.65615 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 8.48435 7.11961 9.17001 13.1721 11.1351 7.79505 15.6765 16.5004 11.1934 6.80627 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 6.68364 5.88056 5.44814 5.30872 5.4432 5.37047 7.33175 13.0335 10.4448 8.64905 numMergedOcc 0
6 mol 218 unq 0 iso 0 dist 4.61671 8.06186 8.38813 14.0877 12.0573 7.33709 21.2578 19.7885 13.5381 7.84952 numMergedOcc 0
7 mol 218 unq 1 iso 0 dist 8.44004 7.45028 8.38813 13.0264 12.0573 7.33709 19.5278 19.7885 13.5381 7.84952 numMergedOcc 0
8 mol 219 unq 0 iso 0 dist 4.67452 4.74338 8.38773 8.09769 10.0509 4.33238 12.3063 16.2631 8.59843 9.64116 numMergedOcc 0
9 mol 219 unq 1 iso 0 dist 9.86916 13.1198 8.38773 16.9289 10.0509 4.33238 18.9605 16.2631 8.59843 9.64116 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 7.76477 10.2308 9.11418 11.026 4.90814 6.71524 10.0206 9.69133 3.43286 8.25985 numMergedOcc 0
11 mol 232 unq 1 iso 0 dist 7.76477 10.2308 9.11418 11.026 4.90814 6.71524 15.6169 13.2039 5.45761 9.27788 numMergedOcc 0
12 mol 232 unq 2 iso 0 dist 6.82688 13.0806 9.11418 10.8093 4.90814 6.71524 11.775 9.69133 3.43286 8.25985 numMergedOcc 0
13 mol 232 unq 3 iso 0 dist 6.82688 13.0806 9.11418 10.8093 4.90814 6.71524 17.1317 13.2039 5.45761 9.27788 numMergedOcc 0
14 mol 232 unq 4 iso 0 dist 5.92175 6.2559 9.11418 7.47238 4.90814 6.71524 6.89215 9.69133 3.43286 8.25985 numMergedOcc 0
15 mol 232 unq 5 iso 0 dist 5.92175 6.2559 9.11418 7.47238 4.90814 6.71524 11.652 13.2039 5.45761 9.27788 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 8.11968 9.33595 7.90773 6.44967 4.53213 9.05018 8.32249 11.3246 9.81612 7.79063 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.98346 12.6474 5.81865 12.9934 5.86413 8.83833 15.6459 11.1583 9.14227 9.6834 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 12.1302 11.2301 3.66473 5.30118 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 15.2573 11.2301 3.66473 5.30118 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 18.082 11.2301 3.66473 5.30118 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 12.1302 11.2301 3.66473 5.30118 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 15.2573 11.2301 3.66473 5.30118 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 18.082 11.2301 3.66473 5.30118 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 4.49185 10.6613 9.94851 10.8114 8.96892 7.45616 12.1302 11.2301 3.66473 5.30118 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.22938 12.7859 9.94851 14.883 8.96892 7.45616 15.2573 11.2301 3.66473 5.30118 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 9.94176 15.0697 9.94851 18.0032 8.96892 7.45616 18.082 11.2301 3.66473 5.30118 numMergedOcc 0
