0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 4.60206 5.99972 12.0193 14.9934 14.7759 9.68596 14.5216 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 13.5984 5.59311 8.70827 12.8389 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 18.4559 12.176 6.73939 6.72323 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 13.5984 5.59311 8.70827 11.4596 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 18.4559 12.176 6.73939 19.0465 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 13.5984 5.59311 8.70827 11.6684 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 18.4559 12.176 6.73939 15.7523 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 13.5984 5.59311 9.12854 12.8389 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 13.5984 5.59311 9.12854 11.4596 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 9.54519 5.80023 7.36323 6.81998 8.75662 6.7828 13.5984 5.59311 9.12854 11.6684 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 16.6031 14.012 9.41441 6.72323 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.11056 10.4744 8.86116 4.04757 8.44664 10.971 16.6031 14.012 9.41441 18.7793 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.11056 10.4744 8.86116 6.66757 9.44691 13.4893 16.6031 14.012 9.41441 15.7523 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 8.78181 6.08585 8.50222 6.25843 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 8.78181 6.08585 8.50222 11.4912 numMergedOcc 0
15 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 8.78181 6.08585 7.55264 6.25843 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 8.78181 6.08585 7.55264 11.4912 numMergedOcc 0
17 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 4.32173 7.45383 7.33728 8.78181 5.77929 8.87757 6.25843 numMergedOcc 0
18 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 16.0077 9.01548 13.9331 8.78181 5.77929 8.87757 8.88938 numMergedOcc 0
19 mol 25 unq 6 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 11.6272 10.8498 6.16347 6.25843 numMergedOcc 0
20 mol 25 unq 7 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 7.05148 5.30154 7.92503 11.4912 numMergedOcc 0
21 mol 25 unq 8 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 7.05148 5.82503 8.6653 12.0452 numMergedOcc 0
22 mol 54 unq 0 iso 0 dist 5.97635 6.76462 6.83299 11.5332 7.21717 13.86 4.38047 4.29856 6.14538 10.7227 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.37642 5.93884 5.78774 5.84625 9.95364 8.80614 10.2007 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.37642 7.68678 5.78774 5.84625 5.49591 8.80614 10.2007 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 10.9995 7.06961 6.7117 6.88901 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 10.9995 7.06961 4.47349 6.88901 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 11.1541 7.06961 6.7117 6.88901 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 11.1541 7.06961 4.47349 6.88901 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 6.49348 8.00003 10.4376 9.34823 5.13589 6.73586 13.0074 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 12.672 10.7293 9.36851 9.73158 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 11.6466 7.29399 4.97175 7.59327 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 12.672 10.7293 9.36851 16.1714 numMergedOcc 0
33 mol 129 unq 3 iso 0 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 11.6466 7.29399 4.97175 13.8117 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 13.6954 14.2045 8.70296 18.6956 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 10.9811 5.09131 9.25558 13.2952 numMergedOcc 0
36 mol 131 unq 2 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 15.1282 13.7237 9.90168 18.6956 numMergedOcc 0
37 mol 131 unq 3 iso 0 dist 7.81337 11.4498 6.85062 11.6607 9.25558 5.09131 15.1282 13.7237 9.90168 13.2952 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.78739 5.94469 7.77758 12.7332 7.20191 9.39829 11.8933 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 13.401 5.63555 5.9176 10.3104 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 12.7332 7.20191 6.41453 11.8933 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 3.99238 6.03688 12.4957 14.6151 10.3603 5.44002 15.3509 numMergedOcc 0
42 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 3.83595 6.54852 6.37275 15.781 12.1512 7.79066 12.7246 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 7.83422 8.80479 9.05071 9.8664 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 4.29482 7.16853 5.00209 13.7665 7.52936 5.93616 10.3854 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 7.28197 5.93616 7.52936 9.3201 5.00209 7.16853 10.3854 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 9.02071 6.20558 9.85289 6.88827 numMergedOcc 0
