0 mol 26 unq 0 iso 0 dist 9.97991 5.21951 6.38243 5.60099 9.41425 4.73981 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.62842 13.5457 7.99016 14.5003 8.55553 5.84083 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.62842 13.5457 7.99016 7.07118 5.00813 6.92307 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 8.62842 13.891 6.41793 14.5003 8.55553 5.16873 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 8.62842 13.891 6.41793 7.07118 5.00813 7.52517 numMergedOcc 0
5 mol 39 unq 4 iso 0 dist 8.62842 11.5159 6.50101 14.5003 8.55553 3.08793 numMergedOcc 0
6 mol 39 unq 5 iso 0 dist 8.62842 11.5159 6.50101 7.07118 5.00813 4.6056 numMergedOcc 0
7 mol 39 unq 6 iso 0 dist 8.27298 15.5017 7.99016 14.3541 8.55553 5.84083 numMergedOcc 0
8 mol 39 unq 7 iso 0 dist 8.27298 15.5017 7.99016 9.43746 5.00813 6.92307 numMergedOcc 0
9 mol 39 unq 8 iso 0 dist 8.27298 14.3169 6.41793 14.3541 8.55553 5.16873 numMergedOcc 0
10 mol 39 unq 9 iso 0 dist 8.27298 14.3169 6.41793 9.43746 5.00813 7.52517 numMergedOcc 0
11 mol 39 unq 10 iso 0 dist 8.27298 12.1737 6.50101 14.3541 8.55553 3.08793 numMergedOcc 0
12 mol 39 unq 11 iso 0 dist 8.27298 12.1737 6.50101 9.43746 5.00813 4.6056 numMergedOcc 0
13 mol 39 unq 12 iso 0 dist 8.56111 14.9261 7.99016 11.9159 8.55553 5.84083 numMergedOcc 0
14 mol 39 unq 13 iso 0 dist 8.56111 14.9261 7.99016 10.3308 5.00813 6.92307 numMergedOcc 0
15 mol 39 unq 14 iso 0 dist 8.56111 12.978 6.41793 11.9159 8.55553 5.16873 numMergedOcc 0
16 mol 39 unq 15 iso 0 dist 8.56111 12.978 6.41793 10.3308 5.00813 7.52517 numMergedOcc 0
17 mol 39 unq 16 iso 0 dist 8.56111 10.8309 6.50101 11.9159 8.55553 3.08793 numMergedOcc 0
18 mol 39 unq 17 iso 0 dist 8.56111 10.8309 6.50101 10.3308 5.00813 4.6056 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.0534 11.5328 7.69861 10.3098 8.59337 9.21869 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.0534 11.5328 7.69861 6.35914 7.66942 6.06973 numMergedOcc 0
21 mol 93 unq 0 iso 0 dist 5.89661 10.5249 7.8435 5.35225 6.46217 13.6138 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 5.89661 10.3971 5.99269 5.35225 6.46217 12.3588 numMergedOcc 0
23 mol 93 unq 2 iso 0 dist 5.89661 8.75661 5.71763 5.35225 6.46217 4.98621 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 5.67716 9.39743 6.99125 6.27339 5.4206 3.37046 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 5.67716 9.39743 6.99125 6.13658 9.56763 8.30017 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 9.95533 15.6865 9.43989 4.60169 7.19893 15.2813 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 9.95533 15.6865 9.43989 9.0113 6.37938 14.3635 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 7.94147 8.57724 9.43989 11.3679 7.19893 15.2813 numMergedOcc 0
29 mol 147 unq 3 iso 0 dist 7.94147 8.57724 9.43989 13.5566 6.37938 14.3635 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 7.27943 8.3084 6.09987 4.52353 5.42715 6.15601 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 7.27943 8.3084 6.09987 6.79695 9.70575 12.1717 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 5.59924 5.37396 5.13268 4.63914 7.48765 4.57041 numMergedOcc 0
33 mol 173 unq 0 iso 0 dist 8.44479 6.21272 7.17037 6.72353 9.02222 11.5009 numMergedOcc 0
34 mol 173 unq 1 iso 0 dist 9.00002 10.8086 7.17037 12.3835 9.02222 11.5009 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.2457 6.24324 8.52295 8.41106 6.58003 4.70248 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 9.84682 4.59201 7.22664 4.73998 7.5999 3.18526 numMergedOcc 0
37 mol 250 unq 1 iso 0 dist 9.84682 4.59201 7.22664 6.78967 9.50976 4.97183 numMergedOcc 0
38 mol 250 unq 2 iso 0 dist 9.84682 10.7903 7.15762 4.73998 7.5999 9.28743 numMergedOcc 0
39 mol 250 unq 3 iso 0 dist 9.84682 10.7903 7.15762 6.78967 9.50976 6.00379 numMergedOcc 0
40 mol 250 unq 4 iso 0 dist 8.26719 12.7172 7.22664 14.6394 7.5999 3.18526 numMergedOcc 0
41 mol 250 unq 5 iso 0 dist 8.26719 12.7172 7.22664 11.4275 9.50976 4.97183 numMergedOcc 0
42 mol 250 unq 6 iso 0 dist 8.26719 8.25498 7.15762 14.6394 7.5999 9.28743 numMergedOcc 0
43 mol 250 unq 7 iso 0 dist 8.26719 8.25498 7.15762 11.4275 9.50976 6.00379 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 6.97105 4.3968 8.19529 12.0895 9.76731 14.7399 numMergedOcc 0
45 mol 252 unq 1 iso 0 dist 6.97105 4.3968 8.19529 8.31743 8.38599 9.50623 numMergedOcc 0
46 mol 252 unq 2 iso 0 dist 6.97105 5.75377 6.45396 12.0895 9.76731 10.4834 numMergedOcc 0
47 mol 252 unq 3 iso 0 dist 6.97105 5.75377 6.45396 8.31743 8.38599 4.73966 numMergedOcc 0
