0 mol 4 unq 0 iso 0 dist 8.15534 12.7614 8.67981 5.10085 6.66589 7.97369 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.62634 9.97287 7.979 5.65481 9.04834 12.4209 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.62634 9.97287 7.979 10.0664 8.17898 4.78943 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.28075 6.4125 9.41952 5.63684 6.46655 5.85228 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 8.21588 6.02518 6.97882 7.2527 9.1329 11.2491 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 8.21588 6.02518 6.97882 7.55603 9.33217 5.00184 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 8.21588 6.02518 6.97882 12.2598 9.03114 12.8734 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 8.21588 13.04 7.7858 7.2527 9.1329 11.2195 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 8.21588 13.04 7.7858 7.55603 9.33217 9.58456 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 8.21588 13.04 7.7858 12.2598 9.03114 5.66355 numMergedOcc 0
10 mol 87 unq 6 iso 0 dist 6.62798 6.02518 9.4868 7.2527 5.26938 11.2491 numMergedOcc 0
11 mol 87 unq 7 iso 0 dist 6.62798 6.02518 9.4868 12.2598 8.91602 12.8734 numMergedOcc 0
12 mol 87 unq 8 iso 0 dist 8.15104 8.93266 6.97882 8.89893 9.1329 11.2491 numMergedOcc 0
13 mol 87 unq 9 iso 0 dist 8.15104 8.93266 6.97882 6.14857 9.33217 5.00184 numMergedOcc 0
14 mol 87 unq 10 iso 0 dist 8.15104 8.93266 6.97882 5.64484 9.03114 12.8734 numMergedOcc 0
15 mol 87 unq 11 iso 0 dist 8.15104 4.33498 7.7858 8.89893 9.1329 11.2195 numMergedOcc 0
16 mol 87 unq 12 iso 0 dist 8.15104 4.33498 7.7858 6.14857 9.33217 9.58456 numMergedOcc 0
17 mol 87 unq 13 iso 0 dist 8.15104 4.33498 7.7858 5.64484 9.03114 5.66355 numMergedOcc 0
18 mol 87 unq 14 iso 0 dist 9.94718 8.93266 9.4868 8.89893 5.26938 11.2491 numMergedOcc 0
19 mol 87 unq 15 iso 0 dist 9.94718 8.93266 9.4868 5.64484 8.91602 12.8734 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 6.88956 12.2608 8.1375 5.88774 7.55805 8.44658 numMergedOcc 0
21 mol 124 unq 0 iso 0 dist 8.55572 4.91808 9.7589 9.70366 7.23052 9.34008 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 7.58683 5.03245 9.46039 9.28974 9.18691 5.80488 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 6.1274 5.10468 5.16143 9.26984 8.66709 5.01007 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 6.1274 6.30947 8.08392 9.26984 8.66709 12.7814 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.55389 4.74416 4.45738 10.1816 7.7292 10.6493 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 7.55389 4.74416 4.45738 7.7596 6.27396 4.30341 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.76741 5.44668 7.78329 7.39364 6.095 4.53819 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 5.46484 5.05085 5.6568 9.62351 9.96011 9.22303 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 8.80671 10.8749 5.6568 7.47558 9.96011 9.22303 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 8.98313 13.1184 8.21164 8.8422 7.29178 14.6138 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 12.0564 6.54753 10.5063 numMergedOcc 0
32 mol 273 unq 1 iso 0 dist 7.29081 13.9951 6.73794 12.0564 6.54753 5.75973 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 8.54773 7.13655 11.3154 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 8.54773 7.13655 11.3154 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 8.54773 7.13655 11.3154 numMergedOcc 0
