0 mol 26 unq 0 iso 0 dist 5.29367 5.272 5.56136 8.5973 11.1066 5.92521 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.29367 5.272 5.56136 7.51191 11.9576 7.97592 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.07937 5.272 6.58799 8.5973 12.4831 5.92521 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.07937 5.272 6.58799 7.51191 13.916 7.97592 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 4.46801 11.9552 5.17241 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 6.89262 7.7624 11.6207 15.0691 9.78668 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.68381 6.50646 7.7624 6.85539 15.0691 9.78668 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.65313 9.97224 14.6641 3.30756 11.774 9.2934 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 9.3844 7.76044 4.26696 6.40052 12.1109 9.07614 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.79412 6.98876 9.41527 11.5086 18.6561 9.83944 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.65822 6.98876 8.14333 11.5086 16.3584 9.83944 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 5.36955 9.02174 6.72551 9.52728 11.9096 9.45247 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.31927 9.76171 12.0548 10.3846 16.4888 7.78914 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.03774 6.77889 6.87651 5.906 11.3065 6.94015 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.59311 9.18505 13.9116 4.88335 8.22722 9.88156 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.22456 9.18505 15.5016 4.88335 12.3822 9.88156 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.7232 9.18505 4.70999 4.88335 8.52036 9.88156 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 9.84843 8.12047 16.5596 11.1744 16.6876 7.69241 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 9.84843 8.12047 16.5596 11.8836 21.5195 8.56192 numMergedOcc 0
19 mol 176 unq 2 iso 0 dist 9.84843 8.12047 16.5596 3.52268 10.8313 7.77962 numMergedOcc 0
20 mol 176 unq 3 iso 0 dist 9.84843 8.12047 16.5596 7.39809 11.6003 8.6431 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.09776 9.20848 3.75614 16.7711 13.22 9.8226 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.92585 6.86905 14.946 5.61713 10.0032 9.91332 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.83706 8.13376 4.77489 3.94409 6.69951 8.75224 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.83854 9.19106 13.5875 5.12694 12.6665 5.14151 numMergedOcc 0
25 mol 265 unq 1 iso 0 dist 6.98451 5.14122 4.86847 3.99477 5.8898 6.80043 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.86805 7.87939 10.8888 5.36106 11.7898 9.92035 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.75212 7.78656 5.10813 4.12505 10.9831 9.7875 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 7.90634 7.78656 7.51649 4.12505 6.16127 9.7875 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.75212 7.78656 5.10813 4.12505 10.9831 9.7875 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 7.90634 7.78656 7.51649 4.12505 6.16127 9.7875 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.75212 7.78656 5.10813 4.12505 10.9831 9.7875 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 7.90634 7.78656 7.51649 4.12505 6.16127 9.7875 numMergedOcc 0
