0 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 4.21886 8.65828 12.5406 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.43758 9.3223 6.51818 4.24515 8.24422 9.4148 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.43758 9.3223 6.51818 5.03315 8.99724 6.87842 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.88704 7.84642 11.8383 10.1307 8.49115 17.4545 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 6.38409 4.3521 10.3313 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.18252 6.0995 13.376 17.3577 9.20236 22.4504 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.18252 9.25525 9.76261 17.3577 9.20236 16.7269 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.37388 9.79864 7.88845 6.90898 9.47253 14.9246 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.5081 5.06116 5.32843 11.6037 6.86189 11.1302 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 7.49276 7.25009 10.541 5.49557 9.06599 8.99128 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 5.83646 7.13727 4.48114 5.64173 7.75366 5.52788 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 8.19381 9.11416 14.199 8.49995 6.2667 14.8151 numMergedOcc 0
12 mol 250 unq 0 iso 0 dist 8.63767 9.48105 7.83671 16.6108 8.59384 13.9368 numMergedOcc 0
13 mol 250 unq 1 iso 0 dist 8.66164 9.48105 6.74739 12.4291 9.04888 13.3265 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 8.88264 7.23526 13.7649 4.47286 9.92947 10.3112 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 6.43775 9.13546 8.52745 4.39302 7.27155 12.9073 numMergedOcc 0
16 mol 264 unq 1 iso 0 dist 6.43775 8.7365 4.96942 4.39302 7.27155 11.3594 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 7.35799 7.37488 4.1816 12.7379 8.51994 10.9344 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 5.96202 7.81241 5.83652 4.89148 6.53354 10.3761 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 5.96202 7.81241 5.83652 4.01355 6.93798 5.32876 numMergedOcc 0
20 mol 283 unq 2 iso 0 dist 5.96202 9.52445 5.99759 4.89148 6.53354 11.9985 numMergedOcc 0
21 mol 283 unq 3 iso 0 dist 5.96202 9.52445 5.99759 4.01355 6.93798 7.60296 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.86767 7.78796 7.61793 10.3798 9.60309 13.272 numMergedOcc 0
